USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 808 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 29 TYR OH : rot 30:sc= -1.62! USER MOD Set 1.2: A 97 THR OG1 : rot -114:sc= 0.5 USER MOD Set 2.1: A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 3.1: A 27 LYS NZ :NH3+ 174:sc= -1.34 (180deg=-0.373) USER MOD Set 3.2: A 33 HIS : no HD1:sc= -1.94 K(o=-3.3,f=-9.5!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0.0349 USER MOD Single : A 53 SER OG : rot 180:sc= 0.57 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 CYS SG : rot -160:sc= -0.71 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0.13) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot -88:sc= 0.544 USER MOD Single : A 72 SER OG : rot 180:sc= -0.0476 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 84:sc= 0.899 USER MOD Single : A 80 ASN : amide:sc= -0.102 K(o=-0.1,f=-1.3) USER MOD Single : A 81 THR OG1 : rot 69:sc= 0.527 USER MOD Single : A 83 CYS SG : rot -64:sc= 0.706 USER MOD Single : A 87 CYS SG : rot -120:sc= 0 USER MOD Single : A 89 HIS : no HD1:sc= 0.391 K(o=0.39,f=-3.2!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00513) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 HIS : no HD1:sc= -2.03! C(o=-2!,f=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 177 N ALA A 13 -4.688 2.918 3.521 1.00 21.34 N ATOM 178 CA ALA A 13 -3.523 2.350 4.188 1.00 72.42 C ATOM 179 C ALA A 13 -3.906 1.129 5.018 1.00 22.15 C ATOM 180 O ALA A 13 -3.099 0.220 5.212 1.00 14.40 O ATOM 181 CB ALA A 13 -2.856 3.398 5.067 1.00 1.43 C ATOM 0 HA ALA A 13 -2.817 2.030 3.422 1.00 72.42 H new ATOM 0 HB1 ALA A 13 -1.987 2.961 5.559 1.00 1.43 H new ATOM 0 HB2 ALA A 13 -2.539 4.240 4.452 1.00 1.43 H new ATOM 0 HB3 ALA A 13 -3.563 3.745 5.820 1.00 1.43 H new ATOM 187 N ASP A 14 -5.142 1.114 5.504 1.00 4.32 N ATOM 188 CA ASP A 14 -5.633 0.004 6.312 1.00 33.13 C ATOM 189 C ASP A 14 -5.615 -1.298 5.516 1.00 42.41 C ATOM 190 O ASP A 14 -5.000 -2.280 5.927 1.00 54.15 O ATOM 191 CB ASP A 14 -7.050 0.294 6.808 1.00 64.32 C ATOM 192 CG ASP A 14 -7.441 -0.578 7.986 1.00 13.51 C ATOM 193 OD1 ASP A 14 -7.135 -0.196 9.135 1.00 13.32 O ATOM 194 OD2 ASP A 14 -8.054 -1.642 7.759 1.00 34.44 O ATOM 0 H ASP A 14 -5.823 1.858 5.352 1.00 4.32 H new ATOM 0 HA ASP A 14 -4.972 -0.108 7.171 1.00 33.13 H new ATOM 0 HB2 ASP A 14 -7.124 1.343 7.096 1.00 64.32 H new ATOM 0 HB3 ASP A 14 -7.756 0.137 5.993 1.00 64.32 H new ATOM 199 N GLU A 15 -6.297 -1.296 4.374 1.00 0.02 N ATOM 200 CA GLU A 15 -6.361 -2.477 3.522 1.00 62.20 C ATOM 201 C GLU A 15 -4.960 -2.962 3.157 1.00 44.31 C ATOM 202 O GLU A 15 -4.703 -4.164 3.099 1.00 35.44 O ATOM 203 CB GLU A 15 -7.155 -2.173 2.250 1.00 33.44 C ATOM 204 CG GLU A 15 -8.569 -2.729 2.267 1.00 1.22 C ATOM 205 CD GLU A 15 -9.088 -3.046 0.878 1.00 65.11 C ATOM 206 OE1 GLU A 15 -8.433 -2.646 -0.107 1.00 63.03 O ATOM 207 OE2 GLU A 15 -10.151 -3.695 0.777 1.00 15.52 O ATOM 0 H GLU A 15 -6.812 -0.490 4.019 1.00 0.02 H new ATOM 0 HA GLU A 15 -6.867 -3.267 4.077 1.00 62.20 H new ATOM 0 HB2 GLU A 15 -7.200 -1.093 2.109 1.00 33.44 H new ATOM 0 HB3 GLU A 15 -6.622 -2.584 1.392 1.00 33.44 H new ATOM 0 HG2 GLU A 15 -8.592 -3.634 2.875 1.00 1.22 H new ATOM 0 HG3 GLU A 15 -9.233 -2.008 2.743 1.00 1.22 H new ATOM 214 N LEU A 16 -4.059 -2.016 2.912 1.00 2.23 N ATOM 215 CA LEU A 16 -2.684 -2.345 2.552 1.00 63.23 C ATOM 216 C LEU A 16 -2.018 -3.172 3.647 1.00 32.53 C ATOM 217 O LEU A 16 -1.374 -4.184 3.368 1.00 44.22 O ATOM 218 CB LEU A 16 -1.882 -1.066 2.305 1.00 31.35 C ATOM 219 CG LEU A 16 -0.391 -1.253 2.025 1.00 75.14 C ATOM 220 CD1 LEU A 16 0.390 -1.330 3.328 1.00 70.43 C ATOM 221 CD2 LEU A 16 -0.157 -2.502 1.187 1.00 61.12 C ATOM 0 H LEU A 16 -4.256 -1.016 2.956 1.00 2.23 H new ATOM 0 HA LEU A 16 -2.705 -2.937 1.637 1.00 63.23 H new ATOM 0 HB2 LEU A 16 -2.327 -0.539 1.461 1.00 31.35 H new ATOM 0 HB3 LEU A 16 -1.989 -0.420 3.176 1.00 31.35 H new ATOM 0 HG LEU A 16 -0.036 -0.390 1.461 1.00 75.14 H new ATOM 0 HD11 LEU A 16 1.450 -1.463 3.110 1.00 70.43 H new ATOM 0 HD12 LEU A 16 0.249 -0.408 3.892 1.00 70.43 H new ATOM 0 HD13 LEU A 16 0.032 -2.174 3.917 1.00 70.43 H new ATOM 0 HD21 LEU A 16 0.910 -2.619 0.998 1.00 61.12 H new ATOM 0 HD22 LEU A 16 -0.528 -3.375 1.724 1.00 61.12 H new ATOM 0 HD23 LEU A 16 -0.685 -2.408 0.238 1.00 61.12 H new ATOM 233 N GLU A 17 -2.179 -2.737 4.893 1.00 22.21 N ATOM 234 CA GLU A 17 -1.594 -3.439 6.028 1.00 24.20 C ATOM 235 C GLU A 17 -2.394 -4.695 6.363 1.00 1.24 C ATOM 236 O GLU A 17 -2.005 -5.480 7.227 1.00 31.03 O ATOM 237 CB GLU A 17 -1.535 -2.519 7.250 1.00 24.32 C ATOM 238 CG GLU A 17 -0.660 -3.052 8.372 1.00 10.12 C ATOM 239 CD GLU A 17 -1.334 -2.969 9.727 1.00 74.02 C ATOM 240 OE1 GLU A 17 -2.473 -3.464 9.853 1.00 42.54 O ATOM 241 OE2 GLU A 17 -0.722 -2.410 10.662 1.00 21.54 O ATOM 0 H GLU A 17 -2.710 -1.902 5.141 1.00 22.21 H new ATOM 0 HA GLU A 17 -0.581 -3.736 5.755 1.00 24.20 H new ATOM 0 HB2 GLU A 17 -1.161 -1.543 6.941 1.00 24.32 H new ATOM 0 HB3 GLU A 17 -2.546 -2.368 7.629 1.00 24.32 H new ATOM 0 HG2 GLU A 17 -0.400 -4.090 8.163 1.00 10.12 H new ATOM 0 HG3 GLU A 17 0.273 -2.489 8.399 1.00 10.12 H new ATOM 248 N ARG A 18 -3.515 -4.877 5.670 1.00 74.51 N ATOM 249 CA ARG A 18 -4.370 -6.037 5.894 1.00 11.41 C ATOM 250 C ARG A 18 -4.114 -7.113 4.843 1.00 52.44 C ATOM 251 O ARG A 18 -4.169 -8.307 5.137 1.00 1.12 O ATOM 252 CB ARG A 18 -5.843 -5.622 5.867 1.00 33.30 C ATOM 253 CG ARG A 18 -6.701 -6.358 6.883 1.00 12.05 C ATOM 254 CD ARG A 18 -7.327 -7.607 6.283 1.00 0.04 C ATOM 255 NE ARG A 18 -8.267 -8.244 7.201 1.00 62.12 N ATOM 256 CZ ARG A 18 -9.073 -9.241 6.854 1.00 12.31 C ATOM 257 NH1 ARG A 18 -9.053 -9.713 5.615 1.00 44.14 N ATOM 258 NH2 ARG A 18 -9.901 -9.769 7.747 1.00 51.51 N ATOM 0 H ARG A 18 -3.851 -4.237 4.950 1.00 74.51 H new ATOM 0 HA ARG A 18 -4.132 -6.449 6.875 1.00 11.41 H new ATOM 0 HB2 ARG A 18 -5.913 -4.550 6.053 1.00 33.30 H new ATOM 0 HB3 ARG A 18 -6.244 -5.799 4.869 1.00 33.30 H new ATOM 0 HG2 ARG A 18 -6.092 -6.633 7.744 1.00 12.05 H new ATOM 0 HG3 ARG A 18 -7.486 -5.695 7.246 1.00 12.05 H new ATOM 0 HD2 ARG A 18 -7.843 -7.346 5.359 1.00 0.04 H new ATOM 0 HD3 ARG A 18 -6.541 -8.315 6.020 1.00 0.04 H new ATOM 0 HE ARG A 18 -8.307 -7.904 8.162 1.00 62.12 H new ATOM 0 HH11 ARG A 18 -8.418 -9.310 4.926 1.00 44.14 H new ATOM 0 HH12 ARG A 18 -9.673 -10.479 5.351 1.00 44.14 H new ATOM 0 HH21 ARG A 18 -9.919 -9.409 8.701 1.00 51.51 H new ATOM 0 HH22 ARG A 18 -10.519 -10.535 7.479 1.00 51.51 H new ATOM 272 N ILE A 19 -3.834 -6.681 3.618 1.00 74.02 N ATOM 273 CA ILE A 19 -3.568 -7.607 2.524 1.00 32.43 C ATOM 274 C ILE A 19 -2.478 -8.604 2.901 1.00 31.15 C ATOM 275 O ILE A 19 -1.411 -8.222 3.381 1.00 11.32 O ATOM 276 CB ILE A 19 -3.145 -6.861 1.245 1.00 5.15 C ATOM 277 CG1 ILE A 19 -4.325 -6.067 0.678 1.00 60.44 C ATOM 278 CG2 ILE A 19 -2.615 -7.842 0.210 1.00 2.03 C ATOM 279 CD1 ILE A 19 -3.911 -4.817 -0.064 1.00 14.42 C ATOM 0 H ILE A 19 -3.785 -5.696 3.358 1.00 74.02 H new ATOM 0 HA ILE A 19 -4.497 -8.143 2.332 1.00 32.43 H new ATOM 0 HB ILE A 19 -2.347 -6.162 1.497 1.00 5.15 H new ATOM 0 HG12 ILE A 19 -4.894 -6.708 0.004 1.00 60.44 H new ATOM 0 HG13 ILE A 19 -4.992 -5.791 1.494 1.00 60.44 H new ATOM 0 HG21 ILE A 19 -2.320 -7.299 -0.688 1.00 2.03 H new ATOM 0 HG22 ILE A 19 -1.751 -8.368 0.616 1.00 2.03 H new ATOM 0 HG23 ILE A 19 -3.394 -8.563 -0.041 1.00 2.03 H new ATOM 0 HD11 ILE A 19 -4.798 -4.305 -0.438 1.00 14.42 H new ATOM 0 HD12 ILE A 19 -3.368 -4.156 0.612 1.00 14.42 H new ATOM 0 HD13 ILE A 19 -3.268 -5.087 -0.902 1.00 14.42 H new ATOM 291 N ARG A 20 -2.752 -9.885 2.677 1.00 70.54 N ATOM 292 CA ARG A 20 -1.794 -10.938 2.993 1.00 23.23 C ATOM 293 C ARG A 20 -0.958 -11.297 1.768 1.00 10.34 C ATOM 294 O ARG A 20 -1.473 -11.373 0.652 1.00 25.11 O ATOM 295 CB ARG A 20 -2.522 -12.181 3.508 1.00 23.11 C ATOM 296 CG ARG A 20 -3.297 -11.944 4.794 1.00 42.21 C ATOM 297 CD ARG A 20 -4.226 -13.106 5.108 1.00 1.44 C ATOM 298 NE ARG A 20 -4.433 -13.270 6.544 1.00 32.14 N ATOM 299 CZ ARG A 20 -5.180 -12.452 7.277 1.00 55.03 C ATOM 300 NH1 ARG A 20 -5.786 -11.418 6.711 1.00 50.14 N ATOM 301 NH2 ARG A 20 -5.319 -12.666 8.579 1.00 24.41 N ATOM 0 H ARG A 20 -3.629 -10.219 2.278 1.00 70.54 H new ATOM 0 HA ARG A 20 -1.127 -10.567 3.771 1.00 23.23 H new ATOM 0 HB2 ARG A 20 -3.210 -12.534 2.739 1.00 23.11 H new ATOM 0 HB3 ARG A 20 -1.794 -12.975 3.673 1.00 23.11 H new ATOM 0 HG2 ARG A 20 -2.599 -11.802 5.619 1.00 42.21 H new ATOM 0 HG3 ARG A 20 -3.878 -11.026 4.706 1.00 42.21 H new ATOM 0 HD2 ARG A 20 -5.187 -12.944 4.620 1.00 1.44 H new ATOM 0 HD3 ARG A 20 -3.810 -14.025 4.695 1.00 1.44 H new ATOM 0 HE ARG A 20 -3.979 -14.056 7.010 1.00 32.14 H new ATOM 0 HH11 ARG A 20 -5.679 -11.249 5.711 1.00 50.14 H new ATOM 0 HH12 ARG A 20 -6.359 -10.791 7.276 1.00 50.14 H new ATOM 0 HH21 ARG A 20 -4.852 -13.459 9.018 1.00 24.41 H new ATOM 0 HH22 ARG A 20 -5.893 -12.037 9.141 1.00 24.41 H new ATOM 315 N LEU A 21 0.334 -11.516 1.984 1.00 24.20 N ATOM 316 CA LEU A 21 1.243 -11.866 0.898 1.00 51.22 C ATOM 317 C LEU A 21 0.788 -13.142 0.197 1.00 72.32 C ATOM 318 O LEU A 21 1.132 -13.384 -0.960 1.00 53.31 O ATOM 319 CB LEU A 21 2.665 -12.044 1.433 1.00 43.11 C ATOM 320 CG LEU A 21 3.304 -10.807 2.066 1.00 1.34 C ATOM 321 CD1 LEU A 21 4.604 -11.175 2.762 1.00 42.33 C ATOM 322 CD2 LEU A 21 3.545 -9.734 1.014 1.00 33.15 C ATOM 0 H LEU A 21 0.776 -11.457 2.901 1.00 24.20 H new ATOM 0 HA LEU A 21 1.234 -11.052 0.173 1.00 51.22 H new ATOM 0 HB2 LEU A 21 2.655 -12.843 2.174 1.00 43.11 H new ATOM 0 HB3 LEU A 21 3.301 -12.378 0.613 1.00 43.11 H new ATOM 0 HG LEU A 21 2.617 -10.408 2.812 1.00 1.34 H new ATOM 0 HD11 LEU A 21 5.044 -10.282 3.206 1.00 42.33 H new ATOM 0 HD12 LEU A 21 4.404 -11.908 3.543 1.00 42.33 H new ATOM 0 HD13 LEU A 21 5.298 -11.599 2.036 1.00 42.33 H new ATOM 0 HD21 LEU A 21 4.000 -8.861 1.482 1.00 33.15 H new ATOM 0 HD22 LEU A 21 4.212 -10.122 0.244 1.00 33.15 H new ATOM 0 HD23 LEU A 21 2.596 -9.449 0.561 1.00 33.15 H new ATOM 334 N ARG A 22 0.011 -13.955 0.905 1.00 44.24 N ATOM 335 CA ARG A 22 -0.492 -15.206 0.352 1.00 21.23 C ATOM 336 C ARG A 22 -1.978 -15.378 0.657 1.00 41.04 C ATOM 337 O ARG A 22 -2.502 -14.839 1.632 1.00 32.13 O ATOM 338 CB ARG A 22 0.295 -16.391 0.914 1.00 31.32 C ATOM 339 CG ARG A 22 1.250 -17.018 -0.089 1.00 23.43 C ATOM 340 CD ARG A 22 1.160 -18.536 -0.069 1.00 60.30 C ATOM 341 NE ARG A 22 2.464 -19.165 -0.267 1.00 4.40 N ATOM 342 CZ ARG A 22 2.631 -20.471 -0.434 1.00 33.22 C ATOM 343 NH1 ARG A 22 1.584 -21.284 -0.428 1.00 72.04 N ATOM 344 NH2 ARG A 22 3.850 -20.968 -0.608 1.00 44.00 N ATOM 0 H ARG A 22 -0.284 -13.769 1.864 1.00 44.24 H new ATOM 0 HA ARG A 22 -0.362 -15.173 -0.730 1.00 21.23 H new ATOM 0 HB2 ARG A 22 0.861 -16.060 1.785 1.00 31.32 H new ATOM 0 HB3 ARG A 22 -0.406 -17.151 1.260 1.00 31.32 H new ATOM 0 HG2 ARG A 22 1.021 -16.652 -1.090 1.00 23.43 H new ATOM 0 HG3 ARG A 22 2.271 -16.710 0.137 1.00 23.43 H new ATOM 0 HD2 ARG A 22 0.741 -18.862 0.883 1.00 60.30 H new ATOM 0 HD3 ARG A 22 0.475 -18.869 -0.849 1.00 60.30 H new ATOM 0 HE ARG A 22 3.291 -18.568 -0.277 1.00 4.40 H new ATOM 0 HH11 ARG A 22 0.646 -20.906 -0.295 1.00 72.04 H new ATOM 0 HH12 ARG A 22 1.717 -22.287 -0.557 1.00 72.04 H new ATOM 0 HH21 ARG A 22 4.658 -20.346 -0.613 1.00 44.00 H new ATOM 0 HH22 ARG A 22 3.978 -21.972 -0.736 1.00 44.00 H new ATOM 358 N PRO A 23 -2.673 -16.146 -0.195 1.00 1.21 N ATOM 359 CA PRO A 23 -4.106 -16.406 -0.037 1.00 23.21 C ATOM 360 C PRO A 23 -4.405 -17.298 1.163 1.00 1.20 C ATOM 361 O PRO A 23 -5.419 -17.127 1.839 1.00 32.34 O ATOM 362 CB PRO A 23 -4.484 -17.118 -1.339 1.00 74.03 C ATOM 363 CG PRO A 23 -3.217 -17.745 -1.808 1.00 32.21 C ATOM 364 CD PRO A 23 -2.112 -16.819 -1.379 1.00 50.33 C ATOM 0 HA PRO A 23 -4.668 -15.490 0.143 1.00 23.21 H new ATOM 0 HB2 PRO A 23 -5.258 -17.867 -1.171 1.00 74.03 H new ATOM 0 HB3 PRO A 23 -4.875 -16.416 -2.075 1.00 74.03 H new ATOM 0 HG2 PRO A 23 -3.087 -18.736 -1.372 1.00 32.21 H new ATOM 0 HG3 PRO A 23 -3.222 -17.871 -2.891 1.00 32.21 H new ATOM 0 HD2 PRO A 23 -1.201 -17.366 -1.137 1.00 50.33 H new ATOM 0 HD3 PRO A 23 -1.857 -16.106 -2.164 1.00 50.33 H new ATOM 372 N GLY A 24 -3.514 -18.250 1.423 1.00 71.25 N ATOM 373 CA GLY A 24 -3.701 -19.155 2.543 1.00 13.24 C ATOM 374 C GLY A 24 -2.687 -18.927 3.647 1.00 2.02 C ATOM 375 O GLY A 24 -2.738 -19.577 4.690 1.00 45.51 O ATOM 0 H GLY A 24 -2.667 -18.411 0.879 1.00 71.25 H new ATOM 0 HA2 GLY A 24 -4.706 -19.028 2.945 1.00 13.24 H new ATOM 0 HA3 GLY A 24 -3.626 -20.184 2.191 1.00 13.24 H new ATOM 379 N GLY A 25 -1.761 -18.001 3.417 1.00 43.55 N ATOM 380 CA GLY A 25 -0.744 -17.706 4.408 1.00 71.44 C ATOM 381 C GLY A 25 -1.203 -16.680 5.425 1.00 4.11 C ATOM 382 O GLY A 25 -2.268 -16.079 5.274 1.00 61.34 O ATOM 0 H GLY A 25 -1.698 -17.450 2.561 1.00 43.55 H new ATOM 0 HA2 GLY A 25 -0.467 -18.625 4.924 1.00 71.44 H new ATOM 0 HA3 GLY A 25 0.152 -17.340 3.906 1.00 71.44 H new ATOM 386 N LYS A 26 -0.402 -16.479 6.465 1.00 40.32 N ATOM 387 CA LYS A 26 -0.732 -15.518 7.512 1.00 34.12 C ATOM 388 C LYS A 26 0.118 -14.258 7.381 1.00 41.10 C ATOM 389 O LYS A 26 -0.152 -13.245 8.027 1.00 13.23 O ATOM 390 CB LYS A 26 -0.523 -16.146 8.892 1.00 42.22 C ATOM 391 CG LYS A 26 -1.819 -16.525 9.589 1.00 14.42 C ATOM 392 CD LYS A 26 -1.888 -15.942 10.991 1.00 31.13 C ATOM 393 CE LYS A 26 -3.278 -16.092 11.589 1.00 21.34 C ATOM 394 NZ LYS A 26 -3.236 -16.181 13.074 1.00 43.23 N ATOM 0 H LYS A 26 0.481 -16.969 6.606 1.00 40.32 H new ATOM 0 HA LYS A 26 -1.780 -15.241 7.400 1.00 34.12 H new ATOM 0 HB2 LYS A 26 0.097 -17.036 8.787 1.00 42.22 H new ATOM 0 HB3 LYS A 26 0.027 -15.446 9.521 1.00 42.22 H new ATOM 0 HG2 LYS A 26 -2.666 -16.168 9.003 1.00 14.42 H new ATOM 0 HG3 LYS A 26 -1.902 -17.611 9.641 1.00 14.42 H new ATOM 0 HD2 LYS A 26 -1.160 -16.442 11.630 1.00 31.13 H new ATOM 0 HD3 LYS A 26 -1.615 -14.887 10.961 1.00 31.13 H new ATOM 0 HE2 LYS A 26 -3.894 -15.243 11.293 1.00 21.34 H new ATOM 0 HE3 LYS A 26 -3.753 -16.986 11.185 1.00 21.34 H new ATOM 0 HZ1 LYS A 26 -4.203 -16.282 13.443 1.00 43.23 H new ATOM 0 HZ2 LYS A 26 -2.669 -17.006 13.356 1.00 43.23 H new ATOM 0 HZ3 LYS A 26 -2.806 -15.317 13.462 1.00 43.23 H new ATOM 408 N LYS A 27 1.145 -14.327 6.540 1.00 40.11 N ATOM 409 CA LYS A 27 2.034 -13.191 6.323 1.00 30.12 C ATOM 410 C LYS A 27 1.337 -12.105 5.510 1.00 14.13 C ATOM 411 O LYS A 27 0.612 -12.395 4.558 1.00 72.20 O ATOM 412 CB LYS A 27 3.307 -13.644 5.605 1.00 30.05 C ATOM 413 CG LYS A 27 4.573 -13.006 6.149 1.00 41.30 C ATOM 414 CD LYS A 27 5.804 -13.468 5.388 1.00 4.04 C ATOM 415 CE LYS A 27 7.011 -12.600 5.701 1.00 53.23 C ATOM 416 NZ LYS A 27 6.881 -11.236 5.118 1.00 65.05 N ATOM 0 H LYS A 27 1.382 -15.158 5.998 1.00 40.11 H new ATOM 0 HA LYS A 27 2.301 -12.778 7.296 1.00 30.12 H new ATOM 0 HB2 LYS A 27 3.393 -14.728 5.685 1.00 30.05 H new ATOM 0 HB3 LYS A 27 3.219 -13.409 4.544 1.00 30.05 H new ATOM 0 HG2 LYS A 27 4.491 -11.921 6.085 1.00 41.30 H new ATOM 0 HG3 LYS A 27 4.682 -13.255 7.204 1.00 41.30 H new ATOM 0 HD2 LYS A 27 6.024 -14.504 5.644 1.00 4.04 H new ATOM 0 HD3 LYS A 27 5.603 -13.440 4.317 1.00 4.04 H new ATOM 0 HE2 LYS A 27 7.132 -12.523 6.781 1.00 53.23 H new ATOM 0 HE3 LYS A 27 7.911 -13.076 5.313 1.00 53.23 H new ATOM 0 HZ1 LYS A 27 7.674 -10.645 5.438 1.00 65.05 H new ATOM 0 HZ2 LYS A 27 6.893 -11.300 4.080 1.00 65.05 H new ATOM 0 HZ3 LYS A 27 5.984 -10.810 5.428 1.00 65.05 H new ATOM 430 N LYS A 28 1.564 -10.851 5.889 1.00 24.54 N ATOM 431 CA LYS A 28 0.961 -9.721 5.194 1.00 40.34 C ATOM 432 C LYS A 28 1.934 -8.549 5.117 1.00 14.31 C ATOM 433 O LYS A 28 3.021 -8.593 5.692 1.00 52.31 O ATOM 434 CB LYS A 28 -0.323 -9.285 5.903 1.00 60.02 C ATOM 435 CG LYS A 28 -0.183 -9.196 7.413 1.00 43.40 C ATOM 436 CD LYS A 28 -1.517 -8.903 8.080 1.00 64.34 C ATOM 437 CE LYS A 28 -1.364 -7.906 9.218 1.00 51.44 C ATOM 438 NZ LYS A 28 -1.161 -8.585 10.528 1.00 34.15 N ATOM 0 H LYS A 28 2.162 -10.593 6.674 1.00 24.54 H new ATOM 0 HA LYS A 28 0.719 -10.038 4.180 1.00 40.34 H new ATOM 0 HB2 LYS A 28 -0.629 -8.313 5.517 1.00 60.02 H new ATOM 0 HB3 LYS A 28 -1.119 -9.989 5.661 1.00 60.02 H new ATOM 0 HG2 LYS A 28 0.219 -10.133 7.798 1.00 43.40 H new ATOM 0 HG3 LYS A 28 0.532 -8.414 7.668 1.00 43.40 H new ATOM 0 HD2 LYS A 28 -2.216 -8.509 7.342 1.00 64.34 H new ATOM 0 HD3 LYS A 28 -1.945 -9.830 8.462 1.00 64.34 H new ATOM 0 HE2 LYS A 28 -0.518 -7.250 9.014 1.00 51.44 H new ATOM 0 HE3 LYS A 28 -2.251 -7.275 9.270 1.00 51.44 H new ATOM 0 HZ1 LYS A 28 -1.061 -7.871 11.277 1.00 34.15 H new ATOM 0 HZ2 LYS A 28 -1.980 -9.192 10.735 1.00 34.15 H new ATOM 0 HZ3 LYS A 28 -0.300 -9.167 10.488 1.00 34.15 H new ATOM 452 N TYR A 29 1.536 -7.501 4.403 1.00 12.22 N ATOM 453 CA TYR A 29 2.374 -6.317 4.249 1.00 61.34 C ATOM 454 C TYR A 29 2.601 -5.633 5.594 1.00 33.32 C ATOM 455 O TYR A 29 1.699 -5.565 6.429 1.00 11.11 O ATOM 456 CB TYR A 29 1.732 -5.337 3.267 1.00 42.23 C ATOM 457 CG TYR A 29 1.702 -5.838 1.842 1.00 30.24 C ATOM 458 CD1 TYR A 29 2.878 -6.160 1.174 1.00 3.24 C ATOM 459 CD2 TYR A 29 0.499 -5.991 1.163 1.00 34.33 C ATOM 460 CE1 TYR A 29 2.855 -6.618 -0.130 1.00 40.13 C ATOM 461 CE2 TYR A 29 0.468 -6.450 -0.140 1.00 71.11 C ATOM 462 CZ TYR A 29 1.648 -6.762 -0.782 1.00 74.10 C ATOM 463 OH TYR A 29 1.622 -7.219 -2.079 1.00 10.24 O ATOM 0 H TYR A 29 0.638 -7.447 3.922 1.00 12.22 H new ATOM 0 HA TYR A 29 3.340 -6.634 3.855 1.00 61.34 H new ATOM 0 HB2 TYR A 29 0.713 -5.127 3.591 1.00 42.23 H new ATOM 0 HB3 TYR A 29 2.277 -4.394 3.300 1.00 42.23 H new ATOM 0 HD1 TYR A 29 3.825 -6.051 1.682 1.00 3.24 H new ATOM 0 HD2 TYR A 29 -0.427 -5.747 1.662 1.00 34.33 H new ATOM 0 HE1 TYR A 29 3.778 -6.862 -0.636 1.00 40.13 H new ATOM 0 HE2 TYR A 29 -0.476 -6.564 -0.653 1.00 71.11 H new ATOM 0 HH TYR A 29 2.383 -7.817 -2.230 1.00 10.24 H new ATOM 473 N ARG A 30 3.813 -5.128 5.795 1.00 52.21 N ATOM 474 CA ARG A 30 4.161 -4.448 7.038 1.00 71.55 C ATOM 475 C ARG A 30 4.828 -3.105 6.756 1.00 23.31 C ATOM 476 O ARG A 30 5.544 -2.566 7.600 1.00 15.31 O ATOM 477 CB ARG A 30 5.091 -5.325 7.880 1.00 44.30 C ATOM 478 CG ARG A 30 4.809 -5.254 9.371 1.00 63.34 C ATOM 479 CD ARG A 30 3.435 -5.813 9.706 1.00 61.03 C ATOM 480 NE ARG A 30 3.513 -7.165 10.255 1.00 1.24 N ATOM 481 CZ ARG A 30 3.866 -7.430 11.508 1.00 4.05 C ATOM 482 NH1 ARG A 30 4.170 -6.443 12.337 1.00 41.54 N ATOM 483 NH2 ARG A 30 3.913 -8.687 11.933 1.00 42.43 N ATOM 0 H ARG A 30 4.571 -5.176 5.114 1.00 52.21 H new ATOM 0 HA ARG A 30 3.241 -4.267 7.594 1.00 71.55 H new ATOM 0 HB2 ARG A 30 4.998 -6.360 7.550 1.00 44.30 H new ATOM 0 HB3 ARG A 30 6.123 -5.024 7.699 1.00 44.30 H new ATOM 0 HG2 ARG A 30 5.572 -5.812 9.914 1.00 63.34 H new ATOM 0 HG3 ARG A 30 4.873 -4.219 9.706 1.00 63.34 H new ATOM 0 HD2 ARG A 30 2.942 -5.158 10.424 1.00 61.03 H new ATOM 0 HD3 ARG A 30 2.818 -5.822 8.807 1.00 61.03 H new ATOM 0 HE ARG A 30 3.284 -7.948 9.643 1.00 1.24 H new ATOM 0 HH11 ARG A 30 4.133 -5.476 12.014 1.00 41.54 H new ATOM 0 HH12 ARG A 30 4.441 -6.650 13.298 1.00 41.54 H new ATOM 0 HH21 ARG A 30 3.678 -9.449 11.297 1.00 42.43 H new ATOM 0 HH22 ARG A 30 4.184 -8.890 12.895 1.00 42.43 H new ATOM 497 N LEU A 31 4.588 -2.571 5.563 1.00 75.22 N ATOM 498 CA LEU A 31 5.166 -1.291 5.168 1.00 4.21 C ATOM 499 C LEU A 31 6.590 -1.472 4.653 1.00 22.24 C ATOM 500 O LEU A 31 7.022 -0.778 3.732 1.00 12.34 O ATOM 501 CB LEU A 31 5.159 -0.320 6.350 1.00 45.20 C ATOM 502 CG LEU A 31 4.836 1.137 6.019 1.00 0.41 C ATOM 503 CD1 LEU A 31 3.451 1.250 5.401 1.00 65.13 C ATOM 504 CD2 LEU A 31 4.937 2.003 7.267 1.00 32.34 C ATOM 0 H LEU A 31 3.998 -3.004 4.853 1.00 75.22 H new ATOM 0 HA LEU A 31 4.558 -0.879 4.363 1.00 4.21 H new ATOM 0 HB2 LEU A 31 4.433 -0.675 7.082 1.00 45.20 H new ATOM 0 HB3 LEU A 31 6.138 -0.355 6.829 1.00 45.20 H new ATOM 0 HG LEU A 31 5.566 1.494 5.293 1.00 0.41 H new ATOM 0 HD11 LEU A 31 3.239 2.294 5.172 1.00 65.13 H new ATOM 0 HD12 LEU A 31 3.413 0.663 4.484 1.00 65.13 H new ATOM 0 HD13 LEU A 31 2.707 0.874 6.104 1.00 65.13 H new ATOM 0 HD21 LEU A 31 4.704 3.037 7.012 1.00 32.34 H new ATOM 0 HD22 LEU A 31 4.230 1.646 8.016 1.00 32.34 H new ATOM 0 HD23 LEU A 31 5.949 1.947 7.667 1.00 32.34 H new ATOM 516 N LYS A 32 7.316 -2.411 5.251 1.00 63.22 N ATOM 517 CA LYS A 32 8.690 -2.686 4.851 1.00 21.44 C ATOM 518 C LYS A 32 8.741 -3.270 3.442 1.00 42.42 C ATOM 519 O LYS A 32 9.729 -3.108 2.727 1.00 55.30 O ATOM 520 CB LYS A 32 9.346 -3.655 5.839 1.00 0.42 C ATOM 521 CG LYS A 32 10.767 -3.271 6.213 1.00 60.23 C ATOM 522 CD LYS A 32 10.796 -2.334 7.409 1.00 12.41 C ATOM 523 CE LYS A 32 11.242 -0.936 7.010 1.00 74.22 C ATOM 524 NZ LYS A 32 11.793 -0.179 8.169 1.00 3.41 N ATOM 0 H LYS A 32 6.975 -2.994 6.015 1.00 63.22 H new ATOM 0 HA LYS A 32 9.238 -1.744 4.855 1.00 21.44 H new ATOM 0 HB2 LYS A 32 8.741 -3.703 6.744 1.00 0.42 H new ATOM 0 HB3 LYS A 32 9.351 -4.655 5.406 1.00 0.42 H new ATOM 0 HG2 LYS A 32 11.340 -4.170 6.440 1.00 60.23 H new ATOM 0 HG3 LYS A 32 11.251 -2.791 5.362 1.00 60.23 H new ATOM 0 HD2 LYS A 32 9.805 -2.286 7.859 1.00 12.41 H new ATOM 0 HD3 LYS A 32 11.472 -2.730 8.167 1.00 12.41 H new ATOM 0 HE2 LYS A 32 11.998 -1.005 6.228 1.00 74.22 H new ATOM 0 HE3 LYS A 32 10.397 -0.391 6.589 1.00 74.22 H new ATOM 0 HZ1 LYS A 32 12.086 0.769 7.857 1.00 3.41 H new ATOM 0 HZ2 LYS A 32 11.063 -0.091 8.905 1.00 3.41 H new ATOM 0 HZ3 LYS A 32 12.615 -0.686 8.555 1.00 3.41 H new ATOM 538 N HIS A 33 7.667 -3.949 3.049 1.00 55.23 N ATOM 539 CA HIS A 33 7.589 -4.555 1.725 1.00 23.05 C ATOM 540 C HIS A 33 7.435 -3.485 0.647 1.00 51.13 C ATOM 541 O HIS A 33 7.996 -3.683 -0.431 1.00 41.01 O ATOM 542 CB HIS A 33 6.416 -5.533 1.657 1.00 70.42 C ATOM 543 CG HIS A 33 6.454 -6.588 2.722 1.00 1.42 C ATOM 544 ND1 HIS A 33 5.677 -6.536 3.859 1.00 62.42 N ATOM 545 CD2 HIS A 33 7.181 -7.725 2.815 1.00 42.02 C ATOM 546 CE1 HIS A 33 5.925 -7.596 4.607 1.00 61.33 C ATOM 547 NE2 HIS A 33 6.834 -8.335 3.995 1.00 44.45 N ATOM 0 H HIS A 33 6.840 -4.093 3.628 1.00 55.23 H new ATOM 0 HA HIS A 33 8.517 -5.098 1.546 1.00 23.05 H new ATOM 0 HB2 HIS A 33 5.483 -4.976 1.742 1.00 70.42 H new ATOM 0 HB3 HIS A 33 6.411 -6.015 0.679 1.00 70.42 H new ATOM 0 HD2 HIS A 33 7.901 -8.086 2.095 1.00 42.02 H new ATOM 0 HE1 HIS A 33 5.463 -7.821 5.557 1.00 61.33 H new ATOM 0 HE2 HIS A 33 7.215 -9.215 4.343 1.00 44.45 H new ATOM 555 N ILE A 34 6.716 -2.396 0.899 1.00 73.52 N ATOM 556 CA ILE A 34 6.542 -1.348 -0.098 1.00 35.11 C ATOM 557 C ILE A 34 7.861 -0.634 -0.381 1.00 24.13 C ATOM 558 O ILE A 34 8.168 -0.308 -1.527 1.00 12.43 O ATOM 559 CB ILE A 34 5.497 -0.310 0.351 1.00 25.20 C ATOM 560 CG1 ILE A 34 4.097 -0.930 0.347 1.00 53.24 C ATOM 561 CG2 ILE A 34 5.543 0.914 -0.552 1.00 62.41 C ATOM 562 CD1 ILE A 34 3.600 -1.305 1.725 1.00 44.10 C ATOM 0 H ILE A 34 6.245 -2.217 1.786 1.00 73.52 H new ATOM 0 HA ILE A 34 6.191 -1.834 -1.008 1.00 35.11 H new ATOM 0 HB ILE A 34 5.732 0.005 1.368 1.00 25.20 H new ATOM 0 HG12 ILE A 34 3.398 -0.226 -0.104 1.00 53.24 H new ATOM 0 HG13 ILE A 34 4.104 -1.820 -0.283 1.00 53.24 H new ATOM 0 HG21 ILE A 34 4.798 1.638 -0.221 1.00 62.41 H new ATOM 0 HG22 ILE A 34 6.534 1.365 -0.504 1.00 62.41 H new ATOM 0 HG23 ILE A 34 5.329 0.617 -1.579 1.00 62.41 H new ATOM 0 HD11 ILE A 34 2.603 -1.738 1.647 1.00 44.10 H new ATOM 0 HD12 ILE A 34 4.278 -2.033 2.171 1.00 44.10 H new ATOM 0 HD13 ILE A 34 3.561 -0.415 2.352 1.00 44.10 H new ATOM 574 N VAL A 35 8.637 -0.398 0.672 1.00 41.21 N ATOM 575 CA VAL A 35 9.924 0.274 0.537 1.00 4.01 C ATOM 576 C VAL A 35 10.899 -0.565 -0.282 1.00 1.50 C ATOM 577 O VAL A 35 11.654 -0.036 -1.098 1.00 71.32 O ATOM 578 CB VAL A 35 10.549 0.570 1.913 1.00 53.35 C ATOM 579 CG1 VAL A 35 11.910 1.229 1.751 1.00 13.22 C ATOM 580 CG2 VAL A 35 9.620 1.443 2.743 1.00 15.40 C ATOM 0 H VAL A 35 8.397 -0.662 1.628 1.00 41.21 H new ATOM 0 HA VAL A 35 9.737 1.216 0.021 1.00 4.01 H new ATOM 0 HB VAL A 35 10.690 -0.374 2.439 1.00 53.35 H new ATOM 0 HG11 VAL A 35 12.336 1.431 2.734 1.00 13.22 H new ATOM 0 HG12 VAL A 35 12.573 0.564 1.198 1.00 13.22 H new ATOM 0 HG13 VAL A 35 11.798 2.166 1.205 1.00 13.22 H new ATOM 0 HG21 VAL A 35 10.077 1.642 3.712 1.00 15.40 H new ATOM 0 HG22 VAL A 35 9.445 2.385 2.223 1.00 15.40 H new ATOM 0 HG23 VAL A 35 8.671 0.928 2.889 1.00 15.40 H new ATOM 590 N TRP A 36 10.876 -1.874 -0.059 1.00 1.22 N ATOM 591 CA TRP A 36 11.758 -2.786 -0.778 1.00 64.44 C ATOM 592 C TRP A 36 11.333 -2.919 -2.235 1.00 30.31 C ATOM 593 O TRP A 36 12.133 -3.292 -3.093 1.00 51.31 O ATOM 594 CB TRP A 36 11.759 -4.162 -0.106 1.00 44.43 C ATOM 595 CG TRP A 36 12.447 -5.217 -0.917 1.00 60.11 C ATOM 596 CD1 TRP A 36 13.722 -5.676 -0.752 1.00 42.14 C ATOM 597 CD2 TRP A 36 11.897 -5.945 -2.020 1.00 3.34 C ATOM 598 NE1 TRP A 36 13.998 -6.645 -1.686 1.00 75.15 N ATOM 599 CE2 TRP A 36 12.894 -6.829 -2.475 1.00 12.41 C ATOM 600 CE3 TRP A 36 10.658 -5.937 -2.667 1.00 62.21 C ATOM 601 CZ2 TRP A 36 12.690 -7.694 -3.548 1.00 51.14 C ATOM 602 CZ3 TRP A 36 10.456 -6.796 -3.731 1.00 12.22 C ATOM 603 CH2 TRP A 36 11.468 -7.665 -4.162 1.00 44.13 C ATOM 0 H TRP A 36 10.257 -2.327 0.613 1.00 1.22 H new ATOM 0 HA TRP A 36 12.767 -2.374 -0.750 1.00 64.44 H new ATOM 0 HB2 TRP A 36 12.248 -4.084 0.865 1.00 44.43 H new ATOM 0 HB3 TRP A 36 10.730 -4.469 0.079 1.00 44.43 H new ATOM 0 HD1 TRP A 36 14.412 -5.328 0.002 1.00 42.14 H new ATOM 0 HE1 TRP A 36 14.882 -7.146 -1.777 1.00 75.15 H new ATOM 0 HE3 TRP A 36 9.872 -5.271 -2.341 1.00 62.21 H new ATOM 0 HZ2 TRP A 36 13.469 -8.363 -3.883 1.00 51.14 H new ATOM 0 HZ3 TRP A 36 9.503 -6.798 -4.239 1.00 12.22 H new ATOM 0 HH2 TRP A 36 11.279 -8.325 -4.996 1.00 44.13 H new ATOM 614 N ALA A 37 10.069 -2.613 -2.510 1.00 73.14 N ATOM 615 CA ALA A 37 9.540 -2.696 -3.865 1.00 63.02 C ATOM 616 C ALA A 37 10.036 -1.535 -4.720 1.00 25.14 C ATOM 617 O ALA A 37 10.483 -1.731 -5.849 1.00 13.42 O ATOM 618 CB ALA A 37 8.019 -2.722 -3.836 1.00 3.54 C ATOM 0 H ALA A 37 9.392 -2.305 -1.811 1.00 73.14 H new ATOM 0 HA ALA A 37 9.900 -3.622 -4.314 1.00 63.02 H new ATOM 0 HB1 ALA A 37 7.637 -2.784 -4.855 1.00 3.54 H new ATOM 0 HB2 ALA A 37 7.681 -3.589 -3.268 1.00 3.54 H new ATOM 0 HB3 ALA A 37 7.648 -1.812 -3.364 1.00 3.54 H new ATOM 624 N ALA A 38 9.951 -0.326 -4.174 1.00 31.33 N ATOM 625 CA ALA A 38 10.393 0.866 -4.888 1.00 4.41 C ATOM 626 C ALA A 38 11.907 0.870 -5.065 1.00 51.23 C ATOM 627 O ALA A 38 12.416 1.221 -6.129 1.00 62.02 O ATOM 628 CB ALA A 38 9.941 2.119 -4.151 1.00 12.01 C ATOM 0 H ALA A 38 9.581 -0.146 -3.241 1.00 31.33 H new ATOM 0 HA ALA A 38 9.939 0.857 -5.879 1.00 4.41 H new ATOM 0 HB1 ALA A 38 10.277 3.002 -4.694 1.00 12.01 H new ATOM 0 HB2 ALA A 38 8.853 2.128 -4.082 1.00 12.01 H new ATOM 0 HB3 ALA A 38 10.368 2.125 -3.148 1.00 12.01 H new ATOM 634 N ASN A 39 12.622 0.480 -4.015 1.00 72.02 N ATOM 635 CA ASN A 39 14.079 0.441 -4.055 1.00 41.22 C ATOM 636 C ASN A 39 14.568 -0.457 -5.187 1.00 12.34 C ATOM 637 O ASN A 39 15.633 -0.227 -5.762 1.00 5.33 O ATOM 638 CB ASN A 39 14.633 -0.058 -2.718 1.00 10.42 C ATOM 639 CG ASN A 39 15.532 0.964 -2.047 1.00 22.24 C ATOM 640 OD1 ASN A 39 16.708 1.091 -2.387 1.00 4.15 O ATOM 641 ND2 ASN A 39 14.979 1.697 -1.089 1.00 62.14 N ATOM 0 H ASN A 39 12.216 0.187 -3.126 1.00 72.02 H new ATOM 0 HA ASN A 39 14.440 1.453 -4.236 1.00 41.22 H new ATOM 0 HB2 ASN A 39 13.805 -0.302 -2.053 1.00 10.42 H new ATOM 0 HB3 ASN A 39 15.193 -0.979 -2.881 1.00 10.42 H new ATOM 0 HD21 ASN A 39 15.533 2.401 -0.601 1.00 62.14 H new ATOM 0 HD22 ASN A 39 14.000 1.557 -0.841 1.00 62.14 H new ATOM 648 N LYS A 40 13.784 -1.481 -5.505 1.00 43.23 N ATOM 649 CA LYS A 40 14.133 -2.413 -6.570 1.00 15.32 C ATOM 650 C LYS A 40 13.908 -1.782 -7.941 1.00 21.21 C ATOM 651 O LYS A 40 14.618 -2.087 -8.900 1.00 52.14 O ATOM 652 CB LYS A 40 13.309 -3.695 -6.445 1.00 10.24 C ATOM 653 CG LYS A 40 13.818 -4.645 -5.375 1.00 74.12 C ATOM 654 CD LYS A 40 14.781 -5.669 -5.951 1.00 13.34 C ATOM 655 CE LYS A 40 16.088 -5.706 -5.173 1.00 60.41 C ATOM 656 NZ LYS A 40 17.090 -6.604 -5.813 1.00 44.33 N ATOM 0 H LYS A 40 12.900 -1.687 -5.039 1.00 43.23 H new ATOM 0 HA LYS A 40 15.191 -2.658 -6.472 1.00 15.32 H new ATOM 0 HB2 LYS A 40 12.275 -3.432 -6.223 1.00 10.24 H new ATOM 0 HB3 LYS A 40 13.307 -4.211 -7.405 1.00 10.24 H new ATOM 0 HG2 LYS A 40 14.317 -4.077 -4.590 1.00 74.12 H new ATOM 0 HG3 LYS A 40 12.975 -5.157 -4.911 1.00 74.12 H new ATOM 0 HD2 LYS A 40 14.318 -6.656 -5.933 1.00 13.34 H new ATOM 0 HD3 LYS A 40 14.985 -5.431 -6.995 1.00 13.34 H new ATOM 0 HE2 LYS A 40 16.497 -4.698 -5.102 1.00 60.41 H new ATOM 0 HE3 LYS A 40 15.895 -6.044 -4.155 1.00 60.41 H new ATOM 0 HZ1 LYS A 40 17.966 -6.602 -5.253 1.00 44.33 H new ATOM 0 HZ2 LYS A 40 16.711 -7.571 -5.858 1.00 44.33 H new ATOM 0 HZ3 LYS A 40 17.294 -6.267 -6.776 1.00 44.33 H new ATOM 670 N LEU A 41 12.918 -0.900 -8.026 1.00 75.31 N ATOM 671 CA LEU A 41 12.600 -0.225 -9.279 1.00 21.01 C ATOM 672 C LEU A 41 13.779 0.616 -9.759 1.00 44.24 C ATOM 673 O LEU A 41 14.257 0.451 -10.881 1.00 63.21 O ATOM 674 CB LEU A 41 11.365 0.659 -9.106 1.00 2.21 C ATOM 675 CG LEU A 41 10.061 -0.066 -8.769 1.00 33.21 C ATOM 676 CD1 LEU A 41 9.009 0.921 -8.291 1.00 3.02 C ATOM 677 CD2 LEU A 41 9.557 -0.844 -9.977 1.00 34.11 C ATOM 0 H LEU A 41 12.322 -0.636 -7.242 1.00 75.31 H new ATOM 0 HA LEU A 41 12.391 -0.987 -10.030 1.00 21.01 H new ATOM 0 HB2 LEU A 41 11.569 1.383 -8.317 1.00 2.21 H new ATOM 0 HB3 LEU A 41 11.216 1.224 -10.026 1.00 2.21 H new ATOM 0 HG LEU A 41 10.258 -0.772 -7.963 1.00 33.21 H new ATOM 0 HD11 LEU A 41 8.089 0.386 -8.056 1.00 3.02 H new ATOM 0 HD12 LEU A 41 9.369 1.433 -7.399 1.00 3.02 H new ATOM 0 HD13 LEU A 41 8.814 1.653 -9.075 1.00 3.02 H new ATOM 0 HD21 LEU A 41 8.629 -1.354 -9.720 1.00 34.11 H new ATOM 0 HD22 LEU A 41 9.377 -0.156 -10.803 1.00 34.11 H new ATOM 0 HD23 LEU A 41 10.305 -1.580 -10.274 1.00 34.11 H new ATOM 689 N ASP A 42 14.243 1.517 -8.900 1.00 14.00 N ATOM 690 CA ASP A 42 15.368 2.382 -9.234 1.00 14.41 C ATOM 691 C ASP A 42 16.551 1.564 -9.743 1.00 4.44 C ATOM 692 O ASP A 42 17.143 1.885 -10.774 1.00 4.11 O ATOM 693 CB ASP A 42 15.788 3.203 -8.014 1.00 41.32 C ATOM 694 CG ASP A 42 15.060 4.530 -7.929 1.00 25.44 C ATOM 695 OD1 ASP A 42 15.481 5.483 -8.617 1.00 5.25 O ATOM 696 OD2 ASP A 42 14.068 4.615 -7.174 1.00 51.41 O ATOM 0 H ASP A 42 13.858 1.667 -7.968 1.00 14.00 H new ATOM 0 HA ASP A 42 15.050 3.059 -10.026 1.00 14.41 H new ATOM 0 HB2 ASP A 42 15.595 2.628 -7.109 1.00 41.32 H new ATOM 0 HB3 ASP A 42 16.862 3.383 -8.054 1.00 41.32 H new ATOM 701 N ARG A 43 16.890 0.507 -9.013 1.00 31.33 N ATOM 702 CA ARG A 43 18.004 -0.356 -9.391 1.00 50.51 C ATOM 703 C ARG A 43 17.719 -1.066 -10.711 1.00 61.21 C ATOM 704 O ARG A 43 18.496 -0.970 -11.660 1.00 14.23 O ATOM 705 CB ARG A 43 18.272 -1.386 -8.292 1.00 13.12 C ATOM 706 CG ARG A 43 19.749 -1.598 -8.004 1.00 52.12 C ATOM 707 CD ARG A 43 19.960 -2.368 -6.709 1.00 42.21 C ATOM 708 NE ARG A 43 20.211 -1.478 -5.579 1.00 42.45 N ATOM 709 CZ ARG A 43 20.696 -1.890 -4.412 1.00 4.54 C ATOM 710 NH1 ARG A 43 20.980 -3.170 -4.225 1.00 33.30 N ATOM 711 NH2 ARG A 43 20.897 -1.019 -3.432 1.00 40.25 N ATOM 0 H ARG A 43 16.410 0.227 -8.157 1.00 31.33 H new ATOM 0 HA ARG A 43 18.888 0.268 -9.519 1.00 50.51 H new ATOM 0 HB2 ARG A 43 17.774 -1.066 -7.377 1.00 13.12 H new ATOM 0 HB3 ARG A 43 17.826 -2.338 -8.581 1.00 13.12 H new ATOM 0 HG2 ARG A 43 20.207 -2.141 -8.830 1.00 52.12 H new ATOM 0 HG3 ARG A 43 20.251 -0.632 -7.940 1.00 52.12 H new ATOM 0 HD2 ARG A 43 19.080 -2.978 -6.502 1.00 42.21 H new ATOM 0 HD3 ARG A 43 20.801 -3.051 -6.826 1.00 42.21 H new ATOM 0 HE ARG A 43 20.003 -0.486 -5.691 1.00 42.45 H new ATOM 0 HH11 ARG A 43 20.827 -3.842 -4.977 1.00 33.30 H new ATOM 0 HH12 ARG A 43 21.352 -3.484 -3.329 1.00 33.30 H new ATOM 0 HH21 ARG A 43 20.679 -0.033 -3.574 1.00 40.25 H new ATOM 0 HH22 ARG A 43 21.269 -1.336 -2.537 1.00 40.25 H new ATOM 725 N PHE A 44 16.598 -1.779 -10.764 1.00 44.21 N ATOM 726 CA PHE A 44 16.211 -2.506 -11.966 1.00 63.21 C ATOM 727 C PHE A 44 16.279 -1.602 -13.194 1.00 23.44 C ATOM 728 O PHE A 44 16.831 -1.981 -14.227 1.00 43.40 O ATOM 729 CB PHE A 44 14.797 -3.071 -11.813 1.00 74.32 C ATOM 730 CG PHE A 44 14.762 -4.430 -11.174 1.00 25.41 C ATOM 731 CD1 PHE A 44 15.521 -5.470 -11.684 1.00 23.45 C ATOM 732 CD2 PHE A 44 13.969 -4.667 -10.062 1.00 2.31 C ATOM 733 CE1 PHE A 44 15.489 -6.722 -11.099 1.00 63.05 C ATOM 734 CE2 PHE A 44 13.933 -5.916 -9.472 1.00 43.04 C ATOM 735 CZ PHE A 44 14.695 -6.945 -9.991 1.00 71.14 C ATOM 0 H PHE A 44 15.942 -1.868 -9.988 1.00 44.21 H new ATOM 0 HA PHE A 44 16.911 -3.330 -12.103 1.00 63.21 H new ATOM 0 HB2 PHE A 44 14.201 -2.381 -11.215 1.00 74.32 H new ATOM 0 HB3 PHE A 44 14.328 -3.128 -12.795 1.00 74.32 H new ATOM 0 HD1 PHE A 44 16.145 -5.301 -12.549 1.00 23.45 H new ATOM 0 HD2 PHE A 44 13.372 -3.866 -9.652 1.00 2.31 H new ATOM 0 HE1 PHE A 44 16.084 -7.525 -11.508 1.00 63.05 H new ATOM 0 HE2 PHE A 44 13.310 -6.088 -8.607 1.00 43.04 H new ATOM 0 HZ PHE A 44 14.670 -7.922 -9.531 1.00 71.14 H new ATOM 745 N GLY A 45 15.712 -0.405 -13.073 1.00 63.42 N ATOM 746 CA GLY A 45 15.719 0.533 -14.179 1.00 23.21 C ATOM 747 C GLY A 45 14.439 1.342 -14.261 1.00 60.34 C ATOM 748 O GLY A 45 14.335 2.276 -15.057 1.00 22.21 O ATOM 0 H GLY A 45 15.248 -0.069 -12.229 1.00 63.42 H new ATOM 0 HA2 GLY A 45 16.567 1.210 -14.072 1.00 23.21 H new ATOM 0 HA3 GLY A 45 15.862 -0.012 -15.112 1.00 23.21 H new ATOM 752 N LEU A 46 13.460 0.983 -13.436 1.00 54.42 N ATOM 753 CA LEU A 46 12.180 1.681 -13.418 1.00 13.44 C ATOM 754 C LEU A 46 12.189 2.810 -12.394 1.00 71.02 C ATOM 755 O LEU A 46 13.053 2.859 -11.518 1.00 44.43 O ATOM 756 CB LEU A 46 11.048 0.702 -13.106 1.00 3.34 C ATOM 757 CG LEU A 46 10.680 -0.278 -14.221 1.00 51.15 C ATOM 758 CD1 LEU A 46 10.785 -1.712 -13.726 1.00 20.30 C ATOM 759 CD2 LEU A 46 9.280 0.007 -14.742 1.00 21.22 C ATOM 0 H LEU A 46 13.529 0.212 -12.771 1.00 54.42 H new ATOM 0 HA LEU A 46 12.016 2.113 -14.405 1.00 13.44 H new ATOM 0 HB2 LEU A 46 11.325 0.128 -12.222 1.00 3.34 H new ATOM 0 HB3 LEU A 46 10.159 1.277 -12.847 1.00 3.34 H new ATOM 0 HG LEU A 46 11.385 -0.146 -15.042 1.00 51.15 H new ATOM 0 HD11 LEU A 46 10.520 -2.396 -14.532 1.00 20.30 H new ATOM 0 HD12 LEU A 46 11.807 -1.911 -13.403 1.00 20.30 H new ATOM 0 HD13 LEU A 46 10.104 -1.858 -12.888 1.00 20.30 H new ATOM 0 HD21 LEU A 46 9.036 -0.700 -15.535 1.00 21.22 H new ATOM 0 HD22 LEU A 46 8.561 -0.097 -13.929 1.00 21.22 H new ATOM 0 HD23 LEU A 46 9.238 1.022 -15.136 1.00 21.22 H new ATOM 771 N ALA A 47 11.222 3.715 -12.508 1.00 73.33 N ATOM 772 CA ALA A 47 11.117 4.841 -11.588 1.00 25.14 C ATOM 773 C ALA A 47 10.317 4.461 -10.346 1.00 42.33 C ATOM 774 O ALA A 47 9.703 3.397 -10.294 1.00 63.04 O ATOM 775 CB ALA A 47 10.478 6.033 -12.285 1.00 51.11 C ATOM 0 H ALA A 47 10.500 3.690 -13.228 1.00 73.33 H new ATOM 0 HA ALA A 47 12.123 5.116 -11.271 1.00 25.14 H new ATOM 0 HB1 ALA A 47 10.406 6.867 -11.587 1.00 51.11 H new ATOM 0 HB2 ALA A 47 11.090 6.326 -13.138 1.00 51.11 H new ATOM 0 HB3 ALA A 47 9.480 5.761 -12.630 1.00 51.11 H new ATOM 781 N GLU A 48 10.331 5.340 -9.349 1.00 63.05 N ATOM 782 CA GLU A 48 9.608 5.096 -8.106 1.00 63.50 C ATOM 783 C GLU A 48 8.255 5.802 -8.115 1.00 3.32 C ATOM 784 O GLU A 48 7.284 5.315 -7.537 1.00 71.25 O ATOM 785 CB GLU A 48 10.433 5.568 -6.907 1.00 21.11 C ATOM 786 CG GLU A 48 10.846 7.027 -6.990 1.00 73.12 C ATOM 787 CD GLU A 48 12.347 7.216 -6.881 1.00 70.23 C ATOM 788 OE1 GLU A 48 12.955 6.626 -5.964 1.00 62.31 O ATOM 789 OE2 GLU A 48 12.913 7.954 -7.714 1.00 54.35 O ATOM 0 H GLU A 48 10.834 6.227 -9.377 1.00 63.05 H new ATOM 0 HA GLU A 48 9.438 4.023 -8.021 1.00 63.50 H new ATOM 0 HB2 GLU A 48 9.855 5.414 -5.996 1.00 21.11 H new ATOM 0 HB3 GLU A 48 11.327 4.950 -6.826 1.00 21.11 H new ATOM 0 HG2 GLU A 48 10.499 7.446 -7.934 1.00 73.12 H new ATOM 0 HG3 GLU A 48 10.354 7.586 -6.194 1.00 73.12 H new ATOM 796 N SER A 49 8.201 6.954 -8.776 1.00 23.01 N ATOM 797 CA SER A 49 6.969 7.731 -8.858 1.00 60.22 C ATOM 798 C SER A 49 5.854 6.915 -9.506 1.00 11.51 C ATOM 799 O SER A 49 4.671 7.209 -9.329 1.00 73.51 O ATOM 800 CB SER A 49 7.204 9.017 -9.653 1.00 42.01 C ATOM 801 OG SER A 49 8.067 8.786 -10.754 1.00 44.04 O ATOM 0 H SER A 49 8.995 7.370 -9.262 1.00 23.01 H new ATOM 0 HA SER A 49 6.664 7.990 -7.844 1.00 60.22 H new ATOM 0 HB2 SER A 49 6.251 9.407 -10.010 1.00 42.01 H new ATOM 0 HB3 SER A 49 7.636 9.777 -9.002 1.00 42.01 H new ATOM 0 HG SER A 49 8.200 9.623 -11.247 1.00 44.04 H new ATOM 807 N LEU A 50 6.240 5.891 -10.258 1.00 11.14 N ATOM 808 CA LEU A 50 5.274 5.031 -10.934 1.00 12.42 C ATOM 809 C LEU A 50 4.383 4.315 -9.925 1.00 2.22 C ATOM 810 O LEU A 50 3.322 3.798 -10.275 1.00 65.14 O ATOM 811 CB LEU A 50 5.999 4.007 -11.810 1.00 44.44 C ATOM 812 CG LEU A 50 7.060 4.566 -12.759 1.00 64.54 C ATOM 813 CD1 LEU A 50 7.806 3.435 -13.450 1.00 53.12 C ATOM 814 CD2 LEU A 50 6.424 5.494 -13.783 1.00 63.11 C ATOM 0 H LEU A 50 7.215 5.635 -10.415 1.00 11.14 H new ATOM 0 HA LEU A 50 4.644 5.658 -11.565 1.00 12.42 H new ATOM 0 HB2 LEU A 50 6.473 3.273 -11.159 1.00 44.44 H new ATOM 0 HB3 LEU A 50 5.255 3.474 -12.402 1.00 44.44 H new ATOM 0 HG LEU A 50 7.777 5.142 -12.174 1.00 64.54 H new ATOM 0 HD11 LEU A 50 8.557 3.851 -14.121 1.00 53.12 H new ATOM 0 HD12 LEU A 50 8.294 2.811 -12.702 1.00 53.12 H new ATOM 0 HD13 LEU A 50 7.102 2.831 -14.023 1.00 53.12 H new ATOM 0 HD21 LEU A 50 7.194 5.882 -14.450 1.00 63.11 H new ATOM 0 HD22 LEU A 50 5.685 4.943 -14.364 1.00 63.11 H new ATOM 0 HD23 LEU A 50 5.937 6.323 -13.270 1.00 63.11 H new ATOM 826 N LEU A 51 4.820 4.289 -8.671 1.00 41.54 N ATOM 827 CA LEU A 51 4.061 3.639 -7.609 1.00 30.52 C ATOM 828 C LEU A 51 2.987 4.571 -7.057 1.00 70.33 C ATOM 829 O LEU A 51 2.187 4.177 -6.209 1.00 30.01 O ATOM 830 CB LEU A 51 4.997 3.197 -6.482 1.00 11.33 C ATOM 831 CG LEU A 51 5.634 1.816 -6.642 1.00 64.54 C ATOM 832 CD1 LEU A 51 6.881 1.700 -5.780 1.00 14.41 C ATOM 833 CD2 LEU A 51 4.636 0.724 -6.286 1.00 2.45 C ATOM 0 H LEU A 51 5.697 4.711 -8.365 1.00 41.54 H new ATOM 0 HA LEU A 51 3.572 2.762 -8.032 1.00 30.52 H new ATOM 0 HB2 LEU A 51 5.794 3.934 -6.389 1.00 11.33 H new ATOM 0 HB3 LEU A 51 4.438 3.211 -5.546 1.00 11.33 H new ATOM 0 HG LEU A 51 5.925 1.690 -7.685 1.00 64.54 H new ATOM 0 HD11 LEU A 51 7.320 0.711 -5.907 1.00 14.41 H new ATOM 0 HD12 LEU A 51 7.603 2.459 -6.081 1.00 14.41 H new ATOM 0 HD13 LEU A 51 6.615 1.847 -4.733 1.00 14.41 H new ATOM 0 HD21 LEU A 51 5.106 -0.252 -6.406 1.00 2.45 H new ATOM 0 HD22 LEU A 51 4.315 0.848 -5.252 1.00 2.45 H new ATOM 0 HD23 LEU A 51 3.771 0.793 -6.945 1.00 2.45 H new ATOM 845 N GLU A 52 2.976 5.807 -7.545 1.00 0.54 N ATOM 846 CA GLU A 52 1.999 6.795 -7.101 1.00 34.20 C ATOM 847 C GLU A 52 1.009 7.119 -8.215 1.00 44.00 C ATOM 848 O GLU A 52 0.517 8.243 -8.316 1.00 60.32 O ATOM 849 CB GLU A 52 2.706 8.073 -6.643 1.00 23.43 C ATOM 850 CG GLU A 52 3.903 7.818 -5.743 1.00 1.34 C ATOM 851 CD GLU A 52 4.678 9.083 -5.432 1.00 35.23 C ATOM 852 OE1 GLU A 52 4.050 10.078 -5.015 1.00 61.30 O ATOM 853 OE2 GLU A 52 5.915 9.078 -5.607 1.00 31.40 O ATOM 0 H GLU A 52 3.632 6.148 -8.248 1.00 0.54 H new ATOM 0 HA GLU A 52 1.448 6.372 -6.261 1.00 34.20 H new ATOM 0 HB2 GLU A 52 3.034 8.631 -7.520 1.00 23.43 H new ATOM 0 HB3 GLU A 52 1.992 8.703 -6.113 1.00 23.43 H new ATOM 0 HG2 GLU A 52 3.563 7.366 -4.811 1.00 1.34 H new ATOM 0 HG3 GLU A 52 4.567 7.098 -6.222 1.00 1.34 H new ATOM 860 N SER A 53 0.720 6.125 -9.050 1.00 13.23 N ATOM 861 CA SER A 53 -0.209 6.305 -10.161 1.00 53.15 C ATOM 862 C SER A 53 -0.523 4.969 -10.827 1.00 13.51 C ATOM 863 O SER A 53 0.380 4.205 -11.169 1.00 31.23 O ATOM 864 CB SER A 53 0.374 7.277 -11.188 1.00 20.43 C ATOM 865 OG SER A 53 0.285 6.747 -12.499 1.00 24.23 O ATOM 0 H SER A 53 1.115 5.187 -8.978 1.00 13.23 H new ATOM 0 HA SER A 53 -1.136 6.720 -9.765 1.00 53.15 H new ATOM 0 HB2 SER A 53 -0.160 8.226 -11.139 1.00 20.43 H new ATOM 0 HB3 SER A 53 1.416 7.485 -10.946 1.00 20.43 H new ATOM 0 HG SER A 53 0.663 7.388 -13.137 1.00 24.23 H new ATOM 871 N LYS A 54 -1.810 4.694 -11.009 1.00 41.22 N ATOM 872 CA LYS A 54 -2.247 3.452 -11.635 1.00 14.42 C ATOM 873 C LYS A 54 -1.613 3.286 -13.013 1.00 2.32 C ATOM 874 O LYS A 54 -1.068 2.230 -13.332 1.00 1.21 O ATOM 875 CB LYS A 54 -3.772 3.427 -11.758 1.00 51.43 C ATOM 876 CG LYS A 54 -4.295 2.282 -12.607 1.00 63.44 C ATOM 877 CD LYS A 54 -5.814 2.230 -12.597 1.00 61.41 C ATOM 878 CE LYS A 54 -6.411 3.208 -13.597 1.00 21.34 C ATOM 879 NZ LYS A 54 -6.590 2.587 -14.940 1.00 51.33 N ATOM 0 H LYS A 54 -2.570 5.316 -10.731 1.00 41.22 H new ATOM 0 HA LYS A 54 -1.926 2.624 -11.003 1.00 14.42 H new ATOM 0 HB2 LYS A 54 -4.207 3.357 -10.761 1.00 51.43 H new ATOM 0 HB3 LYS A 54 -4.109 4.370 -12.188 1.00 51.43 H new ATOM 0 HG2 LYS A 54 -3.941 2.396 -13.631 1.00 63.44 H new ATOM 0 HG3 LYS A 54 -3.895 1.339 -12.234 1.00 63.44 H new ATOM 0 HD2 LYS A 54 -6.146 1.219 -12.832 1.00 61.41 H new ATOM 0 HD3 LYS A 54 -6.181 2.461 -11.597 1.00 61.41 H new ATOM 0 HE2 LYS A 54 -7.374 3.562 -13.229 1.00 21.34 H new ATOM 0 HE3 LYS A 54 -5.763 4.080 -13.683 1.00 21.34 H new ATOM 0 HZ1 LYS A 54 -6.999 3.285 -15.593 1.00 51.33 H new ATOM 0 HZ2 LYS A 54 -5.668 2.272 -15.303 1.00 51.33 H new ATOM 0 HZ3 LYS A 54 -7.229 1.770 -14.862 1.00 51.33 H new ATOM 893 N GLU A 55 -1.689 4.337 -13.825 1.00 13.23 N ATOM 894 CA GLU A 55 -1.122 4.306 -15.168 1.00 74.24 C ATOM 895 C GLU A 55 0.354 3.921 -15.127 1.00 73.34 C ATOM 896 O GLU A 55 0.838 3.176 -15.979 1.00 52.24 O ATOM 897 CB GLU A 55 -1.286 5.667 -15.846 1.00 35.34 C ATOM 898 CG GLU A 55 -2.157 5.625 -17.091 1.00 43.34 C ATOM 899 CD GLU A 55 -1.357 5.386 -18.356 1.00 64.20 C ATOM 900 OE1 GLU A 55 -0.935 4.232 -18.580 1.00 23.12 O ATOM 901 OE2 GLU A 55 -1.153 6.350 -19.122 1.00 3.10 O ATOM 0 H GLU A 55 -2.137 5.219 -13.576 1.00 13.23 H new ATOM 0 HA GLU A 55 -1.660 3.553 -15.744 1.00 74.24 H new ATOM 0 HB2 GLU A 55 -1.719 6.369 -15.133 1.00 35.34 H new ATOM 0 HB3 GLU A 55 -0.302 6.051 -16.114 1.00 35.34 H new ATOM 0 HG2 GLU A 55 -2.902 4.836 -16.982 1.00 43.34 H new ATOM 0 HG3 GLU A 55 -2.700 6.566 -17.182 1.00 43.34 H new ATOM 908 N GLY A 56 1.066 4.434 -14.128 1.00 74.13 N ATOM 909 CA GLY A 56 2.480 4.135 -13.993 1.00 33.44 C ATOM 910 C GLY A 56 2.730 2.716 -13.519 1.00 42.53 C ATOM 911 O GLY A 56 3.537 1.993 -14.102 1.00 24.33 O ATOM 0 H GLY A 56 0.689 5.052 -13.409 1.00 74.13 H new ATOM 0 HA2 GLY A 56 2.974 4.286 -14.953 1.00 33.44 H new ATOM 0 HA3 GLY A 56 2.931 4.835 -13.289 1.00 33.44 H new ATOM 915 N CYS A 57 2.037 2.319 -12.456 1.00 11.35 N ATOM 916 CA CYS A 57 2.188 0.979 -11.903 1.00 54.14 C ATOM 917 C CYS A 57 1.954 -0.082 -12.973 1.00 51.22 C ATOM 918 O CYS A 57 2.637 -1.105 -13.005 1.00 13.23 O ATOM 919 CB CYS A 57 1.217 0.772 -10.740 1.00 31.44 C ATOM 920 SG CYS A 57 2.006 0.746 -9.113 1.00 0.44 S ATOM 0 H CYS A 57 1.366 2.906 -11.961 1.00 11.35 H new ATOM 0 HA CYS A 57 3.209 0.878 -11.536 1.00 54.14 H new ATOM 0 HB2 CYS A 57 0.472 1.567 -10.757 1.00 31.44 H new ATOM 0 HB3 CYS A 57 0.684 -0.167 -10.888 1.00 31.44 H new ATOM 0 HG CYS A 57 1.219 0.164 -8.258 1.00 0.44 H new ATOM 926 N GLN A 58 0.982 0.169 -13.844 1.00 22.32 N ATOM 927 CA GLN A 58 0.655 -0.767 -14.913 1.00 34.03 C ATOM 928 C GLN A 58 1.834 -0.935 -15.868 1.00 65.50 C ATOM 929 O GLN A 58 2.063 -2.020 -16.403 1.00 72.53 O ATOM 930 CB GLN A 58 -0.575 -0.284 -15.684 1.00 33.32 C ATOM 931 CG GLN A 58 -1.407 -1.413 -16.270 1.00 61.43 C ATOM 932 CD GLN A 58 -1.394 -1.421 -17.786 1.00 22.34 C ATOM 933 OE1 GLN A 58 -0.389 -1.767 -18.408 1.00 44.42 O ATOM 934 NE2 GLN A 58 -2.514 -1.040 -18.389 1.00 30.13 N ATOM 0 H GLN A 58 0.408 1.012 -13.830 1.00 22.32 H new ATOM 0 HA GLN A 58 0.435 -1.734 -14.461 1.00 34.03 H new ATOM 0 HB2 GLN A 58 -1.201 0.310 -15.018 1.00 33.32 H new ATOM 0 HB3 GLN A 58 -0.253 0.375 -16.490 1.00 33.32 H new ATOM 0 HG2 GLN A 58 -1.029 -2.367 -15.902 1.00 61.43 H new ATOM 0 HG3 GLN A 58 -2.435 -1.321 -15.920 1.00 61.43 H new ATOM 0 HE21 GLN A 58 -3.323 -0.761 -17.834 1.00 30.13 H new ATOM 0 HE22 GLN A 58 -2.565 -1.026 -19.408 1.00 30.13 H new ATOM 943 N LYS A 59 2.579 0.145 -16.076 1.00 12.34 N ATOM 944 CA LYS A 59 3.735 0.117 -16.965 1.00 1.32 C ATOM 945 C LYS A 59 4.878 -0.681 -16.347 1.00 45.21 C ATOM 946 O LYS A 59 5.818 -1.073 -17.037 1.00 11.24 O ATOM 947 CB LYS A 59 4.202 1.542 -17.272 1.00 24.10 C ATOM 948 CG LYS A 59 3.955 1.967 -18.709 1.00 43.02 C ATOM 949 CD LYS A 59 3.274 3.323 -18.781 1.00 42.31 C ATOM 950 CE LYS A 59 4.284 4.458 -18.702 1.00 3.21 C ATOM 951 NZ LYS A 59 3.654 5.729 -18.246 1.00 13.14 N ATOM 0 H LYS A 59 2.403 1.051 -15.641 1.00 12.34 H new ATOM 0 HA LYS A 59 3.436 -0.370 -17.893 1.00 1.32 H new ATOM 0 HB2 LYS A 59 3.690 2.235 -16.604 1.00 24.10 H new ATOM 0 HB3 LYS A 59 5.268 1.620 -17.057 1.00 24.10 H new ATOM 0 HG2 LYS A 59 4.903 2.006 -19.246 1.00 43.02 H new ATOM 0 HG3 LYS A 59 3.336 1.221 -19.209 1.00 43.02 H new ATOM 0 HD2 LYS A 59 2.711 3.400 -19.711 1.00 42.31 H new ATOM 0 HD3 LYS A 59 2.557 3.415 -17.965 1.00 42.31 H new ATOM 0 HE2 LYS A 59 5.086 4.184 -18.017 1.00 3.21 H new ATOM 0 HE3 LYS A 59 4.739 4.609 -19.681 1.00 3.21 H new ATOM 0 HZ1 LYS A 59 4.374 6.478 -18.205 1.00 13.14 H new ATOM 0 HZ2 LYS A 59 2.905 6.004 -18.913 1.00 13.14 H new ATOM 0 HZ3 LYS A 59 3.242 5.593 -17.301 1.00 13.14 H new ATOM 965 N ILE A 60 4.788 -0.920 -15.042 1.00 12.05 N ATOM 966 CA ILE A 60 5.815 -1.674 -14.333 1.00 25.32 C ATOM 967 C ILE A 60 5.571 -3.176 -14.449 1.00 13.41 C ATOM 968 O ILE A 60 6.499 -3.949 -14.692 1.00 61.31 O ATOM 969 CB ILE A 60 5.868 -1.288 -12.843 1.00 2.50 C ATOM 970 CG1 ILE A 60 6.021 0.227 -12.693 1.00 42.25 C ATOM 971 CG2 ILE A 60 7.012 -2.013 -12.149 1.00 3.21 C ATOM 972 CD1 ILE A 60 5.873 0.710 -11.266 1.00 12.33 C ATOM 0 H ILE A 60 4.016 -0.603 -14.456 1.00 12.05 H new ATOM 0 HA ILE A 60 6.769 -1.425 -14.799 1.00 25.32 H new ATOM 0 HB ILE A 60 4.933 -1.589 -12.370 1.00 2.50 H new ATOM 0 HG12 ILE A 60 7.000 0.524 -13.069 1.00 42.25 H new ATOM 0 HG13 ILE A 60 5.276 0.723 -13.315 1.00 42.25 H new ATOM 0 HG21 ILE A 60 7.037 -1.730 -11.097 1.00 3.21 H new ATOM 0 HG22 ILE A 60 6.864 -3.090 -12.232 1.00 3.21 H new ATOM 0 HG23 ILE A 60 7.956 -1.739 -12.621 1.00 3.21 H new ATOM 0 HD11 ILE A 60 5.993 1.793 -11.234 1.00 12.33 H new ATOM 0 HD12 ILE A 60 4.884 0.443 -10.892 1.00 12.33 H new ATOM 0 HD13 ILE A 60 6.635 0.242 -10.643 1.00 12.33 H new ATOM 984 N LEU A 61 4.319 -3.582 -14.275 1.00 1.03 N ATOM 985 CA LEU A 61 3.952 -4.991 -14.361 1.00 2.34 C ATOM 986 C LEU A 61 4.339 -5.572 -15.718 1.00 73.01 C ATOM 987 O LEU A 61 4.707 -6.743 -15.823 1.00 65.05 O ATOM 988 CB LEU A 61 2.450 -5.163 -14.131 1.00 64.43 C ATOM 989 CG LEU A 61 1.955 -4.903 -12.707 1.00 54.13 C ATOM 990 CD1 LEU A 61 0.436 -4.916 -12.659 1.00 44.32 C ATOM 991 CD2 LEU A 61 2.531 -5.933 -11.747 1.00 64.54 C ATOM 0 H LEU A 61 3.540 -2.955 -14.073 1.00 1.03 H new ATOM 0 HA LEU A 61 4.496 -5.530 -13.586 1.00 2.34 H new ATOM 0 HB2 LEU A 61 1.920 -4.492 -14.807 1.00 64.43 H new ATOM 0 HB3 LEU A 61 2.174 -6.180 -14.410 1.00 64.43 H new ATOM 0 HG LEU A 61 2.298 -3.916 -12.398 1.00 54.13 H new ATOM 0 HD11 LEU A 61 0.103 -4.729 -11.638 1.00 44.32 H new ATOM 0 HD12 LEU A 61 0.045 -4.140 -13.316 1.00 44.32 H new ATOM 0 HD13 LEU A 61 0.070 -5.888 -12.988 1.00 44.32 H new ATOM 0 HD21 LEU A 61 2.169 -5.733 -10.739 1.00 64.54 H new ATOM 0 HD22 LEU A 61 2.218 -6.931 -12.054 1.00 64.54 H new ATOM 0 HD23 LEU A 61 3.619 -5.874 -11.760 1.00 64.54 H new ATOM 1003 N THR A 62 4.256 -4.745 -16.755 1.00 35.20 N ATOM 1004 CA THR A 62 4.599 -5.176 -18.105 1.00 43.41 C ATOM 1005 C THR A 62 6.084 -5.502 -18.218 1.00 23.34 C ATOM 1006 O THR A 62 6.484 -6.350 -19.015 1.00 34.44 O ATOM 1007 CB THR A 62 4.241 -4.099 -19.146 1.00 33.04 C ATOM 1008 OG1 THR A 62 3.975 -4.711 -20.413 1.00 30.14 O ATOM 1009 CG2 THR A 62 5.371 -3.090 -19.292 1.00 74.22 C ATOM 0 H THR A 62 3.954 -3.773 -16.686 1.00 35.20 H new ATOM 0 HA THR A 62 4.016 -6.075 -18.307 1.00 43.41 H new ATOM 0 HB THR A 62 3.349 -3.575 -18.802 1.00 33.04 H new ATOM 0 HG1 THR A 62 3.747 -4.019 -21.069 1.00 30.14 H new ATOM 0 HG21 THR A 62 5.095 -2.339 -20.033 1.00 74.22 H new ATOM 0 HG22 THR A 62 5.551 -2.604 -18.333 1.00 74.22 H new ATOM 0 HG23 THR A 62 6.277 -3.603 -19.615 1.00 74.22 H new ATOM 1017 N VAL A 63 6.897 -4.824 -17.414 1.00 2.34 N ATOM 1018 CA VAL A 63 8.338 -5.044 -17.423 1.00 2.01 C ATOM 1019 C VAL A 63 8.717 -6.241 -16.560 1.00 64.34 C ATOM 1020 O VAL A 63 9.584 -7.036 -16.925 1.00 22.04 O ATOM 1021 CB VAL A 63 9.098 -3.802 -16.920 1.00 22.01 C ATOM 1022 CG1 VAL A 63 10.595 -4.068 -16.891 1.00 11.41 C ATOM 1023 CG2 VAL A 63 8.779 -2.595 -17.789 1.00 42.40 C ATOM 0 H VAL A 63 6.582 -4.118 -16.748 1.00 2.34 H new ATOM 0 HA VAL A 63 8.621 -5.241 -18.457 1.00 2.01 H new ATOM 0 HB VAL A 63 8.772 -3.585 -15.903 1.00 22.01 H new ATOM 0 HG11 VAL A 63 11.116 -3.180 -16.533 1.00 11.41 H new ATOM 0 HG12 VAL A 63 10.803 -4.904 -16.223 1.00 11.41 H new ATOM 0 HG13 VAL A 63 10.941 -4.311 -17.896 1.00 11.41 H new ATOM 0 HG21 VAL A 63 9.324 -1.726 -17.420 1.00 42.40 H new ATOM 0 HG22 VAL A 63 9.075 -2.799 -18.818 1.00 42.40 H new ATOM 0 HG23 VAL A 63 7.708 -2.394 -17.753 1.00 42.40 H new ATOM 1033 N LEU A 64 8.060 -6.366 -15.411 1.00 73.51 N ATOM 1034 CA LEU A 64 8.328 -7.469 -14.493 1.00 2.44 C ATOM 1035 C LEU A 64 7.700 -8.764 -15.000 1.00 2.40 C ATOM 1036 O LEU A 64 8.123 -9.858 -14.628 1.00 55.43 O ATOM 1037 CB LEU A 64 7.790 -7.140 -13.099 1.00 14.33 C ATOM 1038 CG LEU A 64 8.314 -5.851 -12.465 1.00 3.32 C ATOM 1039 CD1 LEU A 64 7.373 -5.374 -11.370 1.00 52.41 C ATOM 1040 CD2 LEU A 64 9.716 -6.059 -11.912 1.00 15.25 C ATOM 0 H LEU A 64 7.339 -5.718 -15.093 1.00 73.51 H new ATOM 0 HA LEU A 64 9.408 -7.608 -14.436 1.00 2.44 H new ATOM 0 HB2 LEU A 64 6.703 -7.078 -13.156 1.00 14.33 H new ATOM 0 HB3 LEU A 64 8.027 -7.971 -12.434 1.00 14.33 H new ATOM 0 HG LEU A 64 8.360 -5.083 -13.237 1.00 3.32 H new ATOM 0 HD11 LEU A 64 7.762 -4.456 -10.930 1.00 52.41 H new ATOM 0 HD12 LEU A 64 6.387 -5.184 -11.795 1.00 52.41 H new ATOM 0 HD13 LEU A 64 7.294 -6.140 -10.599 1.00 52.41 H new ATOM 0 HD21 LEU A 64 10.072 -5.131 -11.465 1.00 15.25 H new ATOM 0 HD22 LEU A 64 9.696 -6.842 -11.154 1.00 15.25 H new ATOM 0 HD23 LEU A 64 10.386 -6.353 -12.720 1.00 15.25 H new ATOM 1052 N ASP A 65 6.689 -8.630 -15.852 1.00 34.02 N ATOM 1053 CA ASP A 65 6.005 -9.790 -16.414 1.00 51.14 C ATOM 1054 C ASP A 65 7.002 -10.755 -17.046 1.00 72.42 C ATOM 1055 O ASP A 65 7.116 -11.916 -16.651 1.00 4.21 O ATOM 1056 CB ASP A 65 4.976 -9.346 -17.453 1.00 23.44 C ATOM 1057 CG ASP A 65 4.815 -10.353 -18.576 1.00 74.23 C ATOM 1058 OD1 ASP A 65 4.617 -11.550 -18.275 1.00 61.01 O ATOM 1059 OD2 ASP A 65 4.886 -9.946 -19.753 1.00 54.53 O ATOM 0 H ASP A 65 6.325 -7.731 -16.168 1.00 34.02 H new ATOM 0 HA ASP A 65 5.492 -10.307 -15.603 1.00 51.14 H new ATOM 0 HB2 ASP A 65 4.013 -9.194 -16.965 1.00 23.44 H new ATOM 0 HB3 ASP A 65 5.277 -8.385 -17.871 1.00 23.44 H new ATOM 1064 N PRO A 66 7.742 -10.268 -18.053 1.00 22.10 N ATOM 1065 CA PRO A 66 8.742 -11.071 -18.762 1.00 71.20 C ATOM 1066 C PRO A 66 9.955 -11.386 -17.893 1.00 64.11 C ATOM 1067 O PRO A 66 10.811 -12.185 -18.272 1.00 0.52 O ATOM 1068 CB PRO A 66 9.144 -10.180 -19.938 1.00 14.45 C ATOM 1069 CG PRO A 66 8.860 -8.792 -19.477 1.00 65.22 C ATOM 1070 CD PRO A 66 7.660 -8.894 -18.576 1.00 12.13 C ATOM 0 HA PRO A 66 8.347 -12.042 -19.061 1.00 71.20 H new ATOM 0 HB2 PRO A 66 10.197 -10.306 -20.188 1.00 14.45 H new ATOM 0 HB3 PRO A 66 8.572 -10.424 -20.833 1.00 14.45 H new ATOM 0 HG2 PRO A 66 9.714 -8.375 -18.944 1.00 65.22 H new ATOM 0 HG3 PRO A 66 8.659 -8.133 -20.322 1.00 65.22 H new ATOM 0 HD2 PRO A 66 7.695 -8.156 -17.774 1.00 12.13 H new ATOM 0 HD3 PRO A 66 6.732 -8.727 -19.122 1.00 12.13 H new ATOM 1078 N MET A 67 10.021 -10.755 -16.725 1.00 2.30 N ATOM 1079 CA MET A 67 11.129 -10.969 -15.802 1.00 22.21 C ATOM 1080 C MET A 67 10.881 -12.197 -14.931 1.00 44.41 C ATOM 1081 O MET A 67 11.812 -12.763 -14.360 1.00 62.43 O ATOM 1082 CB MET A 67 11.332 -9.737 -14.920 1.00 53.43 C ATOM 1083 CG MET A 67 12.003 -8.577 -15.640 1.00 63.42 C ATOM 1084 SD MET A 67 12.133 -7.102 -14.612 1.00 60.12 S ATOM 1085 CE MET A 67 13.578 -6.319 -15.324 1.00 5.23 C ATOM 0 H MET A 67 9.320 -10.091 -16.396 1.00 2.30 H new ATOM 0 HA MET A 67 12.031 -11.138 -16.390 1.00 22.21 H new ATOM 0 HB2 MET A 67 10.364 -9.408 -14.541 1.00 53.43 H new ATOM 0 HB3 MET A 67 11.935 -10.015 -14.055 1.00 53.43 H new ATOM 0 HG2 MET A 67 13.000 -8.881 -15.960 1.00 63.42 H new ATOM 0 HG3 MET A 67 11.438 -8.338 -16.541 1.00 63.42 H new ATOM 0 HE1 MET A 67 13.787 -5.390 -14.793 1.00 5.23 H new ATOM 0 HE2 MET A 67 14.434 -6.988 -15.237 1.00 5.23 H new ATOM 0 HE3 MET A 67 13.393 -6.102 -16.376 1.00 5.23 H new ATOM 1095 N VAL A 68 9.618 -12.602 -14.834 1.00 40.10 N ATOM 1096 CA VAL A 68 9.248 -13.763 -14.032 1.00 3.53 C ATOM 1097 C VAL A 68 9.969 -15.016 -14.514 1.00 54.42 C ATOM 1098 O VAL A 68 10.710 -15.661 -13.771 1.00 50.12 O ATOM 1099 CB VAL A 68 7.728 -14.011 -14.074 1.00 1.03 C ATOM 1100 CG1 VAL A 68 7.422 -15.487 -13.867 1.00 21.02 C ATOM 1101 CG2 VAL A 68 7.021 -13.161 -13.030 1.00 42.54 C ATOM 0 H VAL A 68 8.835 -12.144 -15.300 1.00 40.10 H new ATOM 0 HA VAL A 68 9.546 -13.548 -13.006 1.00 3.53 H new ATOM 0 HB VAL A 68 7.357 -13.722 -15.057 1.00 1.03 H new ATOM 0 HG11 VAL A 68 6.344 -15.643 -13.900 1.00 21.02 H new ATOM 0 HG12 VAL A 68 7.897 -16.071 -14.655 1.00 21.02 H new ATOM 0 HG13 VAL A 68 7.805 -15.806 -12.898 1.00 21.02 H new ATOM 0 HG21 VAL A 68 5.948 -13.349 -13.074 1.00 42.54 H new ATOM 0 HG22 VAL A 68 7.394 -13.417 -12.039 1.00 42.54 H new ATOM 0 HG23 VAL A 68 7.213 -12.107 -13.228 1.00 42.54 H new ATOM 1111 N PRO A 69 9.752 -15.372 -15.789 1.00 42.42 N ATOM 1112 CA PRO A 69 10.374 -16.550 -16.399 1.00 3.13 C ATOM 1113 C PRO A 69 11.875 -16.374 -16.603 1.00 60.21 C ATOM 1114 O PRO A 69 12.551 -17.265 -17.116 1.00 35.01 O ATOM 1115 CB PRO A 69 9.662 -16.668 -17.749 1.00 0.15 C ATOM 1116 CG PRO A 69 9.203 -15.284 -18.058 1.00 74.44 C ATOM 1117 CD PRO A 69 8.881 -14.650 -16.733 1.00 34.22 C ATOM 0 HA PRO A 69 10.275 -17.434 -15.770 1.00 3.13 H new ATOM 0 HB2 PRO A 69 10.335 -17.043 -18.520 1.00 0.15 H new ATOM 0 HB3 PRO A 69 8.822 -17.361 -17.694 1.00 0.15 H new ATOM 0 HG2 PRO A 69 9.978 -14.723 -18.581 1.00 74.44 H new ATOM 0 HG3 PRO A 69 8.327 -15.299 -18.707 1.00 74.44 H new ATOM 0 HD2 PRO A 69 9.092 -13.581 -16.737 1.00 34.22 H new ATOM 0 HD3 PRO A 69 7.828 -14.766 -16.477 1.00 34.22 H new ATOM 1125 N THR A 70 12.391 -15.219 -16.195 1.00 51.42 N ATOM 1126 CA THR A 70 13.812 -14.925 -16.333 1.00 45.42 C ATOM 1127 C THR A 70 14.339 -14.172 -15.116 1.00 22.24 C ATOM 1128 O THR A 70 15.080 -13.200 -15.249 1.00 3.53 O ATOM 1129 CB THR A 70 14.094 -14.092 -17.599 1.00 62.50 C ATOM 1130 OG1 THR A 70 13.528 -12.784 -17.461 1.00 74.14 O ATOM 1131 CG2 THR A 70 13.517 -14.772 -18.832 1.00 71.34 C ATOM 0 H THR A 70 11.846 -14.471 -15.766 1.00 51.42 H new ATOM 0 HA THR A 70 14.326 -15.883 -16.415 1.00 45.42 H new ATOM 0 HB THR A 70 15.174 -14.009 -17.720 1.00 62.50 H new ATOM 0 HG1 THR A 70 12.601 -12.794 -17.777 1.00 74.14 H new ATOM 0 HG21 THR A 70 13.728 -14.167 -19.714 1.00 71.34 H new ATOM 0 HG22 THR A 70 13.971 -15.756 -18.951 1.00 71.34 H new ATOM 0 HG23 THR A 70 12.439 -14.881 -18.716 1.00 71.34 H new ATOM 1139 N GLY A 71 13.951 -14.631 -13.930 1.00 53.12 N ATOM 1140 CA GLY A 71 14.394 -13.988 -12.706 1.00 34.31 C ATOM 1141 C GLY A 71 14.385 -14.932 -11.520 1.00 73.23 C ATOM 1142 O GLY A 71 14.175 -16.135 -11.677 1.00 1.11 O ATOM 0 H GLY A 71 13.339 -15.435 -13.795 1.00 53.12 H new ATOM 0 HA2 GLY A 71 15.402 -13.598 -12.848 1.00 34.31 H new ATOM 0 HA3 GLY A 71 13.749 -13.135 -12.493 1.00 34.31 H new ATOM 1146 N SER A 72 14.617 -14.388 -10.330 1.00 3.42 N ATOM 1147 CA SER A 72 14.640 -15.191 -9.113 1.00 44.34 C ATOM 1148 C SER A 72 13.617 -14.677 -8.104 1.00 60.14 C ATOM 1149 O SER A 72 12.819 -13.792 -8.409 1.00 31.00 O ATOM 1150 CB SER A 72 16.038 -15.173 -8.492 1.00 22.43 C ATOM 1151 OG SER A 72 16.131 -14.199 -7.468 1.00 5.45 O ATOM 0 H SER A 72 14.792 -13.394 -10.182 1.00 3.42 H new ATOM 0 HA SER A 72 14.380 -16.216 -9.378 1.00 44.34 H new ATOM 0 HB2 SER A 72 16.270 -16.157 -8.084 1.00 22.43 H new ATOM 0 HB3 SER A 72 16.779 -14.965 -9.264 1.00 22.43 H new ATOM 0 HG SER A 72 17.034 -14.210 -7.087 1.00 5.45 H new ATOM 1157 N GLU A 73 13.650 -15.239 -6.900 1.00 25.34 N ATOM 1158 CA GLU A 73 12.724 -14.839 -5.845 1.00 34.22 C ATOM 1159 C GLU A 73 12.838 -13.345 -5.561 1.00 23.15 C ATOM 1160 O GLU A 73 11.833 -12.661 -5.371 1.00 73.02 O ATOM 1161 CB GLU A 73 12.999 -15.635 -4.567 1.00 31.54 C ATOM 1162 CG GLU A 73 14.412 -15.465 -4.036 1.00 14.42 C ATOM 1163 CD GLU A 73 14.947 -16.727 -3.387 1.00 40.14 C ATOM 1164 OE1 GLU A 73 14.129 -17.554 -2.934 1.00 23.42 O ATOM 1165 OE2 GLU A 73 16.184 -16.886 -3.333 1.00 31.20 O ATOM 0 H GLU A 73 14.307 -15.972 -6.630 1.00 25.34 H new ATOM 0 HA GLU A 73 11.710 -15.051 -6.185 1.00 34.22 H new ATOM 0 HB2 GLU A 73 12.291 -15.326 -3.798 1.00 31.54 H new ATOM 0 HB3 GLU A 73 12.818 -16.692 -4.761 1.00 31.54 H new ATOM 0 HG2 GLU A 73 15.071 -15.174 -4.854 1.00 14.42 H new ATOM 0 HG3 GLU A 73 14.428 -14.652 -3.310 1.00 14.42 H new ATOM 1172 N ASN A 74 14.069 -12.845 -5.533 1.00 22.33 N ATOM 1173 CA ASN A 74 14.315 -11.432 -5.271 1.00 11.02 C ATOM 1174 C ASN A 74 13.591 -10.556 -6.289 1.00 11.52 C ATOM 1175 O ASN A 74 13.281 -9.395 -6.017 1.00 31.43 O ATOM 1176 CB ASN A 74 15.816 -11.138 -5.306 1.00 21.10 C ATOM 1177 CG ASN A 74 16.330 -10.599 -3.985 1.00 60.12 C ATOM 1178 OD1 ASN A 74 16.517 -9.393 -3.825 1.00 72.01 O ATOM 1179 ND2 ASN A 74 16.562 -11.493 -3.031 1.00 20.10 N ATOM 0 H ASN A 74 14.912 -13.398 -5.689 1.00 22.33 H new ATOM 0 HA ASN A 74 13.929 -11.200 -4.278 1.00 11.02 H new ATOM 0 HB2 ASN A 74 16.356 -12.050 -5.558 1.00 21.10 H new ATOM 0 HB3 ASN A 74 16.024 -10.416 -6.096 1.00 21.10 H new ATOM 0 HD21 ASN A 74 16.909 -11.190 -2.121 1.00 20.10 H new ATOM 0 HD22 ASN A 74 16.393 -12.483 -3.208 1.00 20.10 H new ATOM 1186 N LEU A 75 13.325 -11.119 -7.463 1.00 24.24 N ATOM 1187 CA LEU A 75 12.636 -10.390 -8.523 1.00 40.22 C ATOM 1188 C LEU A 75 11.139 -10.680 -8.498 1.00 11.25 C ATOM 1189 O LEU A 75 10.319 -9.766 -8.404 1.00 12.24 O ATOM 1190 CB LEU A 75 13.218 -10.765 -9.887 1.00 50.40 C ATOM 1191 CG LEU A 75 12.529 -10.145 -11.103 1.00 30.31 C ATOM 1192 CD1 LEU A 75 13.559 -9.621 -12.091 1.00 1.01 C ATOM 1193 CD2 LEU A 75 11.615 -11.161 -11.773 1.00 63.13 C ATOM 0 H LEU A 75 13.576 -12.078 -7.705 1.00 24.24 H new ATOM 0 HA LEU A 75 12.783 -9.323 -8.353 1.00 40.22 H new ATOM 0 HB2 LEU A 75 14.269 -10.476 -9.903 1.00 50.40 H new ATOM 0 HB3 LEU A 75 13.184 -11.850 -9.989 1.00 50.40 H new ATOM 0 HG LEU A 75 11.921 -9.306 -10.764 1.00 30.31 H new ATOM 0 HD11 LEU A 75 13.050 -9.183 -12.950 1.00 1.01 H new ATOM 0 HD12 LEU A 75 14.173 -8.861 -11.608 1.00 1.01 H new ATOM 0 HD13 LEU A 75 14.193 -10.442 -12.425 1.00 1.01 H new ATOM 0 HD21 LEU A 75 11.133 -10.703 -12.636 1.00 63.13 H new ATOM 0 HD22 LEU A 75 12.202 -12.020 -12.099 1.00 63.13 H new ATOM 0 HD23 LEU A 75 10.855 -11.489 -11.064 1.00 63.13 H new ATOM 1205 N LYS A 76 10.788 -11.958 -8.583 1.00 1.04 N ATOM 1206 CA LYS A 76 9.389 -12.371 -8.569 1.00 34.01 C ATOM 1207 C LYS A 76 8.643 -11.725 -7.406 1.00 53.14 C ATOM 1208 O LYS A 76 7.445 -11.458 -7.495 1.00 33.53 O ATOM 1209 CB LYS A 76 9.287 -13.894 -8.470 1.00 23.15 C ATOM 1210 CG LYS A 76 10.052 -14.628 -9.558 1.00 3.33 C ATOM 1211 CD LYS A 76 10.830 -15.804 -8.997 1.00 72.31 C ATOM 1212 CE LYS A 76 10.118 -17.122 -9.261 1.00 23.50 C ATOM 1213 NZ LYS A 76 9.462 -17.654 -8.035 1.00 61.21 N ATOM 0 H LYS A 76 11.453 -12.727 -8.662 1.00 1.04 H new ATOM 0 HA LYS A 76 8.929 -12.042 -9.501 1.00 34.01 H new ATOM 0 HB2 LYS A 76 9.661 -14.212 -7.497 1.00 23.15 H new ATOM 0 HB3 LYS A 76 8.237 -14.183 -8.518 1.00 23.15 H new ATOM 0 HG2 LYS A 76 9.355 -14.981 -10.318 1.00 3.33 H new ATOM 0 HG3 LYS A 76 10.738 -13.938 -10.050 1.00 3.33 H new ATOM 0 HD2 LYS A 76 11.824 -15.830 -9.444 1.00 72.31 H new ATOM 0 HD3 LYS A 76 10.967 -15.672 -7.924 1.00 72.31 H new ATOM 0 HE2 LYS A 76 9.370 -16.980 -10.041 1.00 23.50 H new ATOM 0 HE3 LYS A 76 10.835 -17.853 -9.636 1.00 23.50 H new ATOM 0 HZ1 LYS A 76 8.988 -18.553 -8.257 1.00 61.21 H new ATOM 0 HZ2 LYS A 76 10.179 -17.813 -7.299 1.00 61.21 H new ATOM 0 HZ3 LYS A 76 8.760 -16.968 -7.691 1.00 61.21 H new ATOM 1227 N SER A 77 9.361 -11.473 -6.316 1.00 62.34 N ATOM 1228 CA SER A 77 8.767 -10.860 -5.133 1.00 12.14 C ATOM 1229 C SER A 77 8.161 -9.501 -5.473 1.00 54.22 C ATOM 1230 O SER A 77 7.049 -9.182 -5.051 1.00 12.55 O ATOM 1231 CB SER A 77 9.817 -10.702 -4.032 1.00 65.43 C ATOM 1232 OG SER A 77 10.055 -11.935 -3.374 1.00 1.31 O ATOM 0 H SER A 77 10.355 -11.684 -6.227 1.00 62.34 H new ATOM 0 HA SER A 77 7.972 -11.514 -4.775 1.00 12.14 H new ATOM 0 HB2 SER A 77 10.747 -10.330 -4.462 1.00 65.43 H new ATOM 0 HB3 SER A 77 9.481 -9.959 -3.309 1.00 65.43 H new ATOM 0 HG SER A 77 10.713 -12.455 -3.881 1.00 1.31 H new ATOM 1238 N LEU A 78 8.901 -8.705 -6.237 1.00 72.32 N ATOM 1239 CA LEU A 78 8.439 -7.380 -6.634 1.00 13.23 C ATOM 1240 C LEU A 78 7.190 -7.477 -7.504 1.00 13.15 C ATOM 1241 O LEU A 78 6.304 -6.626 -7.434 1.00 42.21 O ATOM 1242 CB LEU A 78 9.543 -6.637 -7.389 1.00 72.41 C ATOM 1243 CG LEU A 78 9.108 -5.394 -8.164 1.00 73.13 C ATOM 1244 CD1 LEU A 78 8.567 -4.336 -7.215 1.00 25.32 C ATOM 1245 CD2 LEU A 78 10.268 -4.839 -8.978 1.00 71.01 C ATOM 0 H LEU A 78 9.823 -8.954 -6.594 1.00 72.32 H new ATOM 0 HA LEU A 78 8.188 -6.825 -5.730 1.00 13.23 H new ATOM 0 HB2 LEU A 78 10.311 -6.344 -6.673 1.00 72.41 H new ATOM 0 HB3 LEU A 78 10.008 -7.332 -8.088 1.00 72.41 H new ATOM 0 HG LEU A 78 8.311 -5.679 -8.851 1.00 73.13 H new ATOM 0 HD11 LEU A 78 8.262 -3.458 -7.785 1.00 25.32 H new ATOM 0 HD12 LEU A 78 7.708 -4.736 -6.676 1.00 25.32 H new ATOM 0 HD13 LEU A 78 9.343 -4.055 -6.503 1.00 25.32 H new ATOM 0 HD21 LEU A 78 9.939 -3.954 -9.523 1.00 71.01 H new ATOM 0 HD22 LEU A 78 11.086 -4.570 -8.309 1.00 71.01 H new ATOM 0 HD23 LEU A 78 10.611 -5.594 -9.685 1.00 71.01 H new ATOM 1257 N PHE A 79 7.126 -8.521 -8.323 1.00 34.55 N ATOM 1258 CA PHE A 79 5.985 -8.731 -9.207 1.00 61.03 C ATOM 1259 C PHE A 79 4.703 -8.928 -8.402 1.00 2.33 C ATOM 1260 O PHE A 79 3.619 -8.540 -8.837 1.00 74.25 O ATOM 1261 CB PHE A 79 6.226 -9.944 -10.108 1.00 72.21 C ATOM 1262 CG PHE A 79 5.305 -10.004 -11.291 1.00 31.24 C ATOM 1263 CD1 PHE A 79 5.049 -8.870 -12.046 1.00 63.42 C ATOM 1264 CD2 PHE A 79 4.694 -11.196 -11.651 1.00 53.13 C ATOM 1265 CE1 PHE A 79 4.201 -8.922 -13.136 1.00 22.42 C ATOM 1266 CE2 PHE A 79 3.846 -11.254 -12.741 1.00 22.21 C ATOM 1267 CZ PHE A 79 3.598 -10.116 -13.483 1.00 22.34 C ATOM 0 H PHE A 79 7.851 -9.235 -8.393 1.00 34.55 H new ATOM 0 HA PHE A 79 5.871 -7.843 -9.829 1.00 61.03 H new ATOM 0 HB2 PHE A 79 7.257 -9.925 -10.461 1.00 72.21 H new ATOM 0 HB3 PHE A 79 6.107 -10.853 -9.519 1.00 72.21 H new ATOM 0 HD1 PHE A 79 5.518 -7.934 -11.779 1.00 63.42 H new ATOM 0 HD2 PHE A 79 4.883 -12.089 -11.073 1.00 53.13 H new ATOM 0 HE1 PHE A 79 4.010 -8.031 -13.716 1.00 22.42 H new ATOM 0 HE2 PHE A 79 3.378 -12.189 -13.012 1.00 22.21 H new ATOM 0 HZ PHE A 79 2.934 -10.159 -14.333 1.00 22.34 H new ATOM 1277 N ASN A 80 4.836 -9.535 -7.227 1.00 0.02 N ATOM 1278 CA ASN A 80 3.689 -9.785 -6.362 1.00 53.10 C ATOM 1279 C ASN A 80 3.312 -8.529 -5.583 1.00 51.14 C ATOM 1280 O ASN A 80 2.193 -8.406 -5.083 1.00 32.42 O ATOM 1281 CB ASN A 80 3.996 -10.928 -5.392 1.00 72.03 C ATOM 1282 CG ASN A 80 3.443 -12.256 -5.870 1.00 34.33 C ATOM 1283 OD1 ASN A 80 3.125 -12.421 -7.049 1.00 74.03 O ATOM 1284 ND2 ASN A 80 3.325 -13.212 -4.956 1.00 53.42 N ATOM 0 H ASN A 80 5.726 -9.863 -6.852 1.00 0.02 H new ATOM 0 HA ASN A 80 2.845 -10.068 -6.991 1.00 53.10 H new ATOM 0 HB2 ASN A 80 5.075 -11.012 -5.264 1.00 72.03 H new ATOM 0 HB3 ASN A 80 3.576 -10.694 -4.414 1.00 72.03 H new ATOM 0 HD21 ASN A 80 2.959 -14.127 -5.219 1.00 53.42 H new ATOM 0 HD22 ASN A 80 3.601 -13.031 -3.991 1.00 53.42 H new ATOM 1291 N THR A 81 4.254 -7.595 -5.483 1.00 24.42 N ATOM 1292 CA THR A 81 4.021 -6.349 -4.765 1.00 73.11 C ATOM 1293 C THR A 81 3.417 -5.291 -5.680 1.00 23.14 C ATOM 1294 O THR A 81 2.577 -4.496 -5.259 1.00 42.03 O ATOM 1295 CB THR A 81 5.325 -5.800 -4.155 1.00 33.05 C ATOM 1296 OG1 THR A 81 6.080 -6.867 -3.570 1.00 24.11 O ATOM 1297 CG2 THR A 81 5.027 -4.745 -3.100 1.00 3.04 C ATOM 0 H THR A 81 5.185 -7.679 -5.891 1.00 24.42 H new ATOM 0 HA THR A 81 3.319 -6.574 -3.962 1.00 73.11 H new ATOM 0 HB THR A 81 5.907 -5.339 -4.953 1.00 33.05 H new ATOM 0 HG1 THR A 81 6.415 -7.457 -4.277 1.00 24.11 H new ATOM 0 HG21 THR A 81 5.963 -4.372 -2.684 1.00 3.04 H new ATOM 0 HG22 THR A 81 4.478 -3.920 -3.555 1.00 3.04 H new ATOM 0 HG23 THR A 81 4.426 -5.186 -2.304 1.00 3.04 H new ATOM 1305 N VAL A 82 3.848 -5.287 -6.938 1.00 1.42 N ATOM 1306 CA VAL A 82 3.348 -4.327 -7.915 1.00 64.33 C ATOM 1307 C VAL A 82 1.912 -4.646 -8.313 1.00 65.44 C ATOM 1308 O VAL A 82 1.145 -3.754 -8.678 1.00 34.13 O ATOM 1309 CB VAL A 82 4.226 -4.305 -9.180 1.00 53.40 C ATOM 1310 CG1 VAL A 82 3.782 -3.192 -10.118 1.00 35.40 C ATOM 1311 CG2 VAL A 82 5.692 -4.144 -8.808 1.00 72.33 C ATOM 0 H VAL A 82 4.542 -5.938 -7.304 1.00 1.42 H new ATOM 0 HA VAL A 82 3.382 -3.346 -7.441 1.00 64.33 H new ATOM 0 HB VAL A 82 4.108 -5.256 -9.700 1.00 53.40 H new ATOM 0 HG11 VAL A 82 4.413 -3.191 -11.006 1.00 35.40 H new ATOM 0 HG12 VAL A 82 2.745 -3.355 -10.410 1.00 35.40 H new ATOM 0 HG13 VAL A 82 3.869 -2.232 -9.610 1.00 35.40 H new ATOM 0 HG21 VAL A 82 6.298 -4.130 -9.714 1.00 72.33 H new ATOM 0 HG22 VAL A 82 5.829 -3.208 -8.266 1.00 72.33 H new ATOM 0 HG23 VAL A 82 6.001 -4.978 -8.177 1.00 72.33 H new ATOM 1321 N CYS A 83 1.552 -5.923 -8.238 1.00 21.21 N ATOM 1322 CA CYS A 83 0.206 -6.361 -8.591 1.00 70.04 C ATOM 1323 C CYS A 83 -0.813 -5.856 -7.575 1.00 3.34 C ATOM 1324 O CYS A 83 -2.002 -5.748 -7.875 1.00 45.01 O ATOM 1325 CB CYS A 83 0.150 -7.887 -8.673 1.00 64.01 C ATOM 1326 SG CYS A 83 -0.099 -8.703 -7.079 1.00 33.31 S ATOM 0 H CYS A 83 2.174 -6.673 -7.936 1.00 21.21 H new ATOM 0 HA CYS A 83 -0.043 -5.943 -9.566 1.00 70.04 H new ATOM 0 HB2 CYS A 83 -0.657 -8.175 -9.346 1.00 64.01 H new ATOM 0 HB3 CYS A 83 1.078 -8.251 -9.114 1.00 64.01 H new ATOM 0 HG CYS A 83 0.922 -8.471 -6.308 1.00 33.31 H new ATOM 1332 N VAL A 84 -0.340 -5.549 -6.372 1.00 54.25 N ATOM 1333 CA VAL A 84 -1.210 -5.056 -5.311 1.00 4.30 C ATOM 1334 C VAL A 84 -1.337 -3.537 -5.366 1.00 44.34 C ATOM 1335 O VAL A 84 -2.418 -3.004 -5.617 1.00 10.40 O ATOM 1336 CB VAL A 84 -0.689 -5.466 -3.920 1.00 24.14 C ATOM 1337 CG1 VAL A 84 -1.513 -4.807 -2.825 1.00 14.44 C ATOM 1338 CG2 VAL A 84 -0.706 -6.981 -3.772 1.00 15.32 C ATOM 0 H VAL A 84 0.641 -5.633 -6.107 1.00 54.25 H new ATOM 0 HA VAL A 84 -2.190 -5.507 -5.471 1.00 4.30 H new ATOM 0 HB VAL A 84 0.341 -5.124 -3.821 1.00 24.14 H new ATOM 0 HG11 VAL A 84 -1.130 -5.109 -1.850 1.00 14.44 H new ATOM 0 HG12 VAL A 84 -1.446 -3.723 -2.922 1.00 14.44 H new ATOM 0 HG13 VAL A 84 -2.554 -5.116 -2.917 1.00 14.44 H new ATOM 0 HG21 VAL A 84 -0.335 -7.254 -2.784 1.00 15.32 H new ATOM 0 HG22 VAL A 84 -1.726 -7.347 -3.891 1.00 15.32 H new ATOM 0 HG23 VAL A 84 -0.069 -7.428 -4.535 1.00 15.32 H new ATOM 1348 N ILE A 85 -0.226 -2.847 -5.128 1.00 63.23 N ATOM 1349 CA ILE A 85 -0.214 -1.390 -5.152 1.00 74.31 C ATOM 1350 C ILE A 85 -1.092 -0.851 -6.275 1.00 13.31 C ATOM 1351 O ILE A 85 -1.812 0.131 -6.097 1.00 42.25 O ATOM 1352 CB ILE A 85 1.216 -0.842 -5.325 1.00 32.10 C ATOM 1353 CG1 ILE A 85 2.108 -1.312 -4.174 1.00 32.14 C ATOM 1354 CG2 ILE A 85 1.195 0.677 -5.401 1.00 73.22 C ATOM 1355 CD1 ILE A 85 1.928 -0.510 -2.904 1.00 11.50 C ATOM 0 H ILE A 85 0.676 -3.273 -4.917 1.00 63.23 H new ATOM 0 HA ILE A 85 -0.610 -1.055 -4.193 1.00 74.31 H new ATOM 0 HB ILE A 85 1.627 -1.227 -6.258 1.00 32.10 H new ATOM 0 HG12 ILE A 85 1.896 -2.361 -3.965 1.00 32.14 H new ATOM 0 HG13 ILE A 85 3.151 -1.254 -4.486 1.00 32.14 H new ATOM 0 HG21 ILE A 85 2.212 1.049 -5.523 1.00 73.22 H new ATOM 0 HG22 ILE A 85 0.589 0.990 -6.251 1.00 73.22 H new ATOM 0 HG23 ILE A 85 0.768 1.081 -4.483 1.00 73.22 H new ATOM 0 HD11 ILE A 85 2.591 -0.899 -2.131 1.00 11.50 H new ATOM 0 HD12 ILE A 85 2.169 0.535 -3.097 1.00 11.50 H new ATOM 0 HD13 ILE A 85 0.894 -0.588 -2.568 1.00 11.50 H new ATOM 1367 N TRP A 86 -1.028 -1.500 -7.432 1.00 12.24 N ATOM 1368 CA TRP A 86 -1.819 -1.086 -8.585 1.00 64.01 C ATOM 1369 C TRP A 86 -3.308 -1.103 -8.257 1.00 64.12 C ATOM 1370 O TRP A 86 -4.015 -0.121 -8.488 1.00 12.43 O ATOM 1371 CB TRP A 86 -1.537 -2.001 -9.778 1.00 4.54 C ATOM 1372 CG TRP A 86 -2.290 -1.614 -11.015 1.00 42.52 C ATOM 1373 CD1 TRP A 86 -1.845 -0.813 -12.028 1.00 41.24 C ATOM 1374 CD2 TRP A 86 -3.620 -2.009 -11.368 1.00 1.33 C ATOM 1375 NE1 TRP A 86 -2.819 -0.686 -12.989 1.00 55.51 N ATOM 1376 CE2 TRP A 86 -3.917 -1.411 -12.608 1.00 30.33 C ATOM 1377 CE3 TRP A 86 -4.588 -2.811 -10.758 1.00 74.30 C ATOM 1378 CZ2 TRP A 86 -5.141 -1.591 -13.248 1.00 71.23 C ATOM 1379 CZ3 TRP A 86 -5.802 -2.988 -11.394 1.00 63.54 C ATOM 1380 CH2 TRP A 86 -6.070 -2.381 -12.628 1.00 32.21 C ATOM 0 H TRP A 86 -0.437 -2.315 -7.597 1.00 12.24 H new ATOM 0 HA TRP A 86 -1.534 -0.066 -8.843 1.00 64.01 H new ATOM 0 HB2 TRP A 86 -0.468 -1.987 -9.993 1.00 4.54 H new ATOM 0 HB3 TRP A 86 -1.795 -3.026 -9.510 1.00 4.54 H new ATOM 0 HD1 TRP A 86 -0.871 -0.348 -12.068 1.00 41.24 H new ATOM 0 HE1 TRP A 86 -2.738 -0.140 -13.847 1.00 55.51 H new ATOM 0 HE3 TRP A 86 -4.391 -3.284 -9.807 1.00 74.30 H new ATOM 0 HZ2 TRP A 86 -5.349 -1.124 -14.199 1.00 71.23 H new ATOM 0 HZ3 TRP A 86 -6.558 -3.605 -10.931 1.00 63.54 H new ATOM 0 HH2 TRP A 86 -7.029 -2.540 -13.099 1.00 32.21 H new ATOM 1391 N CYS A 87 -3.778 -2.221 -7.718 1.00 65.25 N ATOM 1392 CA CYS A 87 -5.185 -2.365 -7.359 1.00 43.14 C ATOM 1393 C CYS A 87 -5.668 -1.160 -6.558 1.00 11.33 C ATOM 1394 O CYS A 87 -6.668 -0.531 -6.906 1.00 35.12 O ATOM 1395 CB CYS A 87 -5.399 -3.646 -6.552 1.00 32.25 C ATOM 1396 SG CYS A 87 -5.982 -5.048 -7.534 1.00 23.13 S ATOM 0 H CYS A 87 -3.206 -3.042 -7.519 1.00 65.25 H new ATOM 0 HA CYS A 87 -5.765 -2.423 -8.280 1.00 43.14 H new ATOM 0 HB2 CYS A 87 -4.461 -3.919 -6.069 1.00 32.25 H new ATOM 0 HB3 CYS A 87 -6.120 -3.447 -5.759 1.00 32.25 H new ATOM 0 HG CYS A 87 -7.131 -5.450 -7.077 1.00 23.13 H new ATOM 1402 N ILE A 88 -4.951 -0.844 -5.484 1.00 23.03 N ATOM 1403 CA ILE A 88 -5.307 0.285 -4.635 1.00 44.41 C ATOM 1404 C ILE A 88 -5.560 1.540 -5.464 1.00 13.23 C ATOM 1405 O ILE A 88 -6.420 2.355 -5.131 1.00 24.30 O ATOM 1406 CB ILE A 88 -4.205 0.581 -3.600 1.00 34.14 C ATOM 1407 CG1 ILE A 88 -3.940 -0.655 -2.738 1.00 41.05 C ATOM 1408 CG2 ILE A 88 -4.598 1.766 -2.732 1.00 72.35 C ATOM 1409 CD1 ILE A 88 -2.476 -0.874 -2.430 1.00 74.22 C ATOM 0 H ILE A 88 -4.121 -1.354 -5.182 1.00 23.03 H new ATOM 0 HA ILE A 88 -6.222 0.008 -4.111 1.00 44.41 H new ATOM 0 HB ILE A 88 -3.287 0.834 -4.130 1.00 34.14 H new ATOM 0 HG12 ILE A 88 -4.490 -0.560 -1.802 1.00 41.05 H new ATOM 0 HG13 ILE A 88 -4.331 -1.535 -3.249 1.00 41.05 H new ATOM 0 HG21 ILE A 88 -3.809 1.963 -2.006 1.00 72.35 H new ATOM 0 HG22 ILE A 88 -4.741 2.646 -3.360 1.00 72.35 H new ATOM 0 HG23 ILE A 88 -5.526 1.541 -2.207 1.00 72.35 H new ATOM 0 HD11 ILE A 88 -2.363 -1.767 -1.816 1.00 74.22 H new ATOM 0 HD12 ILE A 88 -1.923 -1.002 -3.361 1.00 74.22 H new ATOM 0 HD13 ILE A 88 -2.085 -0.011 -1.891 1.00 74.22 H new ATOM 1421 N HIS A 89 -4.804 1.688 -6.548 1.00 44.23 N ATOM 1422 CA HIS A 89 -4.947 2.842 -7.429 1.00 11.01 C ATOM 1423 C HIS A 89 -6.139 2.666 -8.365 1.00 24.44 C ATOM 1424 O HIS A 89 -6.740 3.682 -8.713 1.00 61.24 O ATOM 1425 CB HIS A 89 -3.670 3.050 -8.244 1.00 12.13 C ATOM 1426 CG HIS A 89 -2.451 3.273 -7.402 1.00 3.14 C ATOM 1427 ND1 HIS A 89 -2.452 4.063 -6.273 1.00 40.14 N ATOM 1428 CD2 HIS A 89 -1.188 2.805 -7.531 1.00 63.15 C ATOM 1429 CE1 HIS A 89 -1.243 4.071 -5.742 1.00 15.33 C ATOM 1430 NE2 HIS A 89 -0.456 3.314 -6.488 1.00 43.44 N ATOM 0 H HIS A 89 -4.086 1.023 -6.837 1.00 44.23 H new ATOM 0 HA HIS A 89 -5.120 3.722 -6.809 1.00 11.01 H new ATOM 0 HB2 HIS A 89 -3.508 2.179 -8.879 1.00 12.13 H new ATOM 0 HB3 HIS A 89 -3.806 3.906 -8.905 1.00 12.13 H new ATOM 0 HD2 HIS A 89 -0.824 2.152 -8.310 1.00 63.15 H new ATOM 0 HE1 HIS A 89 -0.947 4.605 -4.851 1.00 15.33 H new ATOM 0 HE2 HIS A 89 0.534 3.137 -6.316 1.00 43.44 H new ATOM 1438 N ALA A 90 -6.485 1.448 -8.768 1.00 72.34 N ATOM 1439 CA ALA A 90 -7.616 1.230 -9.660 1.00 64.33 C ATOM 1440 C ALA A 90 -8.917 1.101 -8.875 1.00 71.50 C ATOM 1441 O ALA A 90 -9.928 0.639 -9.403 1.00 54.31 O ATOM 1442 CB ALA A 90 -7.387 -0.010 -10.511 1.00 15.50 C ATOM 0 H ALA A 90 -5.997 0.596 -8.490 1.00 72.34 H new ATOM 0 HA ALA A 90 -7.701 2.096 -10.316 1.00 64.33 H new ATOM 0 HB1 ALA A 90 -8.240 -0.160 -11.172 1.00 15.50 H new ATOM 0 HB2 ALA A 90 -6.484 0.120 -11.107 1.00 15.50 H new ATOM 0 HB3 ALA A 90 -7.272 -0.879 -9.864 1.00 15.50 H new ATOM 1448 N GLU A 91 -8.884 1.511 -7.611 1.00 55.43 N ATOM 1449 CA GLU A 91 -10.061 1.440 -6.753 1.00 14.13 C ATOM 1450 C GLU A 91 -10.573 0.006 -6.652 1.00 11.42 C ATOM 1451 O GLU A 91 -11.742 -0.266 -6.925 1.00 72.52 O ATOM 1452 CB GLU A 91 -11.166 2.352 -7.289 1.00 15.33 C ATOM 1453 CG GLU A 91 -10.702 3.771 -7.569 1.00 0.40 C ATOM 1454 CD GLU A 91 -11.815 4.657 -8.094 1.00 21.41 C ATOM 1455 OE1 GLU A 91 -12.420 4.301 -9.127 1.00 0.24 O ATOM 1456 OE2 GLU A 91 -12.083 5.706 -7.470 1.00 32.43 O ATOM 0 H GLU A 91 -8.055 1.896 -7.158 1.00 55.43 H new ATOM 0 HA GLU A 91 -9.775 1.777 -5.757 1.00 14.13 H new ATOM 0 HB2 GLU A 91 -11.567 1.922 -8.207 1.00 15.33 H new ATOM 0 HB3 GLU A 91 -11.983 2.382 -6.568 1.00 15.33 H new ATOM 0 HG2 GLU A 91 -10.299 4.205 -6.654 1.00 0.40 H new ATOM 0 HG3 GLU A 91 -9.889 3.747 -8.295 1.00 0.40 H new ATOM 1463 N GLU A 92 -9.689 -0.906 -6.258 1.00 5.31 N ATOM 1464 CA GLU A 92 -10.053 -2.312 -6.123 1.00 51.42 C ATOM 1465 C GLU A 92 -9.659 -2.845 -4.748 1.00 35.41 C ATOM 1466 O GLU A 92 -8.554 -2.595 -4.266 1.00 73.42 O ATOM 1467 CB GLU A 92 -9.380 -3.143 -7.217 1.00 64.31 C ATOM 1468 CG GLU A 92 -10.038 -3.003 -8.580 1.00 44.43 C ATOM 1469 CD GLU A 92 -10.715 -4.281 -9.035 1.00 61.35 C ATOM 1470 OE1 GLU A 92 -11.170 -5.054 -8.166 1.00 73.15 O ATOM 1471 OE2 GLU A 92 -10.790 -4.508 -10.261 1.00 71.24 O ATOM 0 H GLU A 92 -8.718 -0.697 -6.027 1.00 5.31 H new ATOM 0 HA GLU A 92 -11.135 -2.394 -6.229 1.00 51.42 H new ATOM 0 HB2 GLU A 92 -8.334 -2.846 -7.296 1.00 64.31 H new ATOM 0 HB3 GLU A 92 -9.392 -4.193 -6.923 1.00 64.31 H new ATOM 0 HG2 GLU A 92 -10.774 -2.200 -8.543 1.00 44.43 H new ATOM 0 HG3 GLU A 92 -9.286 -2.713 -9.314 1.00 44.43 H new ATOM 1478 N LYS A 93 -10.571 -3.581 -4.123 1.00 74.05 N ATOM 1479 CA LYS A 93 -10.320 -4.151 -2.804 1.00 24.30 C ATOM 1480 C LYS A 93 -9.882 -5.609 -2.915 1.00 2.52 C ATOM 1481 O LYS A 93 -10.592 -6.439 -3.482 1.00 4.02 O ATOM 1482 CB LYS A 93 -11.576 -4.051 -1.935 1.00 51.20 C ATOM 1483 CG LYS A 93 -12.797 -4.711 -2.552 1.00 14.41 C ATOM 1484 CD LYS A 93 -13.997 -3.779 -2.548 1.00 40.35 C ATOM 1485 CE LYS A 93 -14.746 -3.840 -1.225 1.00 15.14 C ATOM 1486 NZ LYS A 93 -16.046 -4.555 -1.357 1.00 32.41 N ATOM 0 H LYS A 93 -11.491 -3.797 -4.508 1.00 74.05 H new ATOM 0 HA LYS A 93 -9.516 -3.582 -2.338 1.00 24.30 H new ATOM 0 HB2 LYS A 93 -11.375 -4.510 -0.967 1.00 51.20 H new ATOM 0 HB3 LYS A 93 -11.796 -3.000 -1.749 1.00 51.20 H new ATOM 0 HG2 LYS A 93 -12.571 -5.011 -3.575 1.00 14.41 H new ATOM 0 HG3 LYS A 93 -13.039 -5.619 -2.000 1.00 14.41 H new ATOM 0 HD2 LYS A 93 -13.666 -2.757 -2.733 1.00 40.35 H new ATOM 0 HD3 LYS A 93 -14.671 -4.048 -3.361 1.00 40.35 H new ATOM 0 HE2 LYS A 93 -14.129 -4.343 -0.481 1.00 15.14 H new ATOM 0 HE3 LYS A 93 -14.923 -2.828 -0.861 1.00 15.14 H new ATOM 0 HZ1 LYS A 93 -16.526 -4.575 -0.435 1.00 32.41 H new ATOM 0 HZ2 LYS A 93 -16.645 -4.061 -2.048 1.00 32.41 H new ATOM 0 HZ3 LYS A 93 -15.875 -5.529 -1.680 1.00 32.41 H new ATOM 1500 N VAL A 94 -8.708 -5.912 -2.370 1.00 24.13 N ATOM 1501 CA VAL A 94 -8.178 -7.270 -2.407 1.00 55.43 C ATOM 1502 C VAL A 94 -7.825 -7.759 -1.006 1.00 14.35 C ATOM 1503 O VAL A 94 -7.175 -7.053 -0.235 1.00 12.14 O ATOM 1504 CB VAL A 94 -6.926 -7.359 -3.301 1.00 4.41 C ATOM 1505 CG1 VAL A 94 -7.268 -6.989 -4.736 1.00 34.44 C ATOM 1506 CG2 VAL A 94 -5.821 -6.465 -2.761 1.00 75.24 C ATOM 0 H VAL A 94 -8.107 -5.237 -1.898 1.00 24.13 H new ATOM 0 HA VAL A 94 -8.959 -7.905 -2.825 1.00 55.43 H new ATOM 0 HB VAL A 94 -6.567 -8.388 -3.291 1.00 4.41 H new ATOM 0 HG11 VAL A 94 -6.372 -7.057 -5.353 1.00 34.44 H new ATOM 0 HG12 VAL A 94 -8.025 -7.674 -5.118 1.00 34.44 H new ATOM 0 HG13 VAL A 94 -7.653 -5.970 -4.767 1.00 34.44 H new ATOM 0 HG21 VAL A 94 -4.945 -6.541 -3.405 1.00 75.24 H new ATOM 0 HG22 VAL A 94 -6.167 -5.432 -2.739 1.00 75.24 H new ATOM 0 HG23 VAL A 94 -5.558 -6.781 -1.752 1.00 75.24 H new ATOM 1516 N LYS A 95 -8.255 -8.974 -0.684 1.00 4.05 N ATOM 1517 CA LYS A 95 -7.984 -9.561 0.622 1.00 21.10 C ATOM 1518 C LYS A 95 -6.543 -10.051 0.709 1.00 34.20 C ATOM 1519 O LYS A 95 -5.895 -9.922 1.749 1.00 1.15 O ATOM 1520 CB LYS A 95 -8.946 -10.721 0.892 1.00 42.23 C ATOM 1521 CG LYS A 95 -10.376 -10.278 1.146 1.00 44.34 C ATOM 1522 CD LYS A 95 -11.377 -11.252 0.548 1.00 13.14 C ATOM 1523 CE LYS A 95 -12.802 -10.739 0.680 1.00 52.13 C ATOM 1524 NZ LYS A 95 -13.627 -11.079 -0.512 1.00 22.43 N ATOM 0 H LYS A 95 -8.793 -9.572 -1.311 1.00 4.05 H new ATOM 0 HA LYS A 95 -8.133 -8.790 1.378 1.00 21.10 H new ATOM 0 HB2 LYS A 95 -8.931 -11.400 0.040 1.00 42.23 H new ATOM 0 HB3 LYS A 95 -8.590 -11.284 1.755 1.00 42.23 H new ATOM 0 HG2 LYS A 95 -10.546 -10.193 2.219 1.00 44.34 H new ATOM 0 HG3 LYS A 95 -10.532 -9.287 0.719 1.00 44.34 H new ATOM 0 HD2 LYS A 95 -11.144 -11.414 -0.504 1.00 13.14 H new ATOM 0 HD3 LYS A 95 -11.289 -12.217 1.047 1.00 13.14 H new ATOM 0 HE2 LYS A 95 -13.260 -11.166 1.572 1.00 52.13 H new ATOM 0 HE3 LYS A 95 -12.788 -9.657 0.815 1.00 52.13 H new ATOM 0 HZ1 LYS A 95 -14.591 -10.712 -0.383 1.00 22.43 H new ATOM 0 HZ2 LYS A 95 -13.204 -10.651 -1.360 1.00 22.43 H new ATOM 0 HZ3 LYS A 95 -13.662 -12.112 -0.627 1.00 22.43 H new ATOM 1538 N ASP A 96 -6.046 -10.612 -0.387 1.00 24.24 N ATOM 1539 CA ASP A 96 -4.679 -11.120 -0.435 1.00 62.10 C ATOM 1540 C ASP A 96 -3.975 -10.665 -1.710 1.00 42.21 C ATOM 1541 O ASP A 96 -4.610 -10.162 -2.637 1.00 34.32 O ATOM 1542 CB ASP A 96 -4.676 -12.648 -0.354 1.00 43.44 C ATOM 1543 CG ASP A 96 -5.570 -13.285 -1.399 1.00 3.32 C ATOM 1544 OD1 ASP A 96 -6.789 -13.394 -1.150 1.00 51.53 O ATOM 1545 OD2 ASP A 96 -5.051 -13.676 -2.465 1.00 5.44 O ATOM 0 H ASP A 96 -6.569 -10.727 -1.255 1.00 24.24 H new ATOM 0 HA ASP A 96 -4.138 -10.718 0.421 1.00 62.10 H new ATOM 0 HB2 ASP A 96 -3.657 -13.014 -0.480 1.00 43.44 H new ATOM 0 HB3 ASP A 96 -5.005 -12.957 0.638 1.00 43.44 H new ATOM 1550 N THR A 97 -2.658 -10.844 -1.748 1.00 24.20 N ATOM 1551 CA THR A 97 -1.868 -10.450 -2.907 1.00 14.02 C ATOM 1552 C THR A 97 -2.224 -11.291 -4.128 1.00 52.21 C ATOM 1553 O THR A 97 -2.208 -10.800 -5.256 1.00 15.11 O ATOM 1554 CB THR A 97 -0.358 -10.583 -2.629 1.00 60.42 C ATOM 1555 OG1 THR A 97 0.043 -9.631 -1.637 1.00 15.53 O ATOM 1556 CG2 THR A 97 0.448 -10.369 -3.901 1.00 72.41 C ATOM 0 H THR A 97 -2.117 -11.259 -0.990 1.00 24.20 H new ATOM 0 HA THR A 97 -2.103 -9.405 -3.108 1.00 14.02 H new ATOM 0 HB THR A 97 -0.166 -11.591 -2.263 1.00 60.42 H new ATOM 0 HG1 THR A 97 0.654 -8.978 -2.038 1.00 15.53 H new ATOM 0 HG21 THR A 97 1.511 -10.468 -3.679 1.00 72.41 H new ATOM 0 HG22 THR A 97 0.161 -11.114 -4.643 1.00 72.41 H new ATOM 0 HG23 THR A 97 0.250 -9.371 -4.293 1.00 72.41 H new ATOM 1564 N GLU A 98 -2.546 -12.559 -3.893 1.00 73.53 N ATOM 1565 CA GLU A 98 -2.906 -13.468 -4.976 1.00 72.12 C ATOM 1566 C GLU A 98 -4.126 -12.953 -5.734 1.00 60.01 C ATOM 1567 O GLU A 98 -4.124 -12.885 -6.963 1.00 73.34 O ATOM 1568 CB GLU A 98 -3.186 -14.867 -4.424 1.00 44.44 C ATOM 1569 CG GLU A 98 -2.240 -15.931 -4.953 1.00 1.31 C ATOM 1570 CD GLU A 98 -2.921 -16.898 -5.903 1.00 61.03 C ATOM 1571 OE1 GLU A 98 -3.913 -17.536 -5.491 1.00 13.11 O ATOM 1572 OE2 GLU A 98 -2.463 -17.015 -7.059 1.00 12.31 O ATOM 0 H GLU A 98 -2.565 -12.980 -2.964 1.00 73.53 H new ATOM 0 HA GLU A 98 -2.066 -13.521 -5.668 1.00 72.12 H new ATOM 0 HB2 GLU A 98 -3.117 -14.840 -3.337 1.00 44.44 H new ATOM 0 HB3 GLU A 98 -4.210 -15.148 -4.671 1.00 44.44 H new ATOM 0 HG2 GLU A 98 -1.408 -15.449 -5.466 1.00 1.31 H new ATOM 0 HG3 GLU A 98 -1.819 -16.487 -4.115 1.00 1.31 H new ATOM 1579 N GLY A 99 -5.169 -12.594 -4.992 1.00 52.43 N ATOM 1580 CA GLY A 99 -6.382 -12.091 -5.610 1.00 14.45 C ATOM 1581 C GLY A 99 -6.135 -10.849 -6.444 1.00 43.11 C ATOM 1582 O GLY A 99 -6.771 -10.652 -7.479 1.00 61.03 O ATOM 0 H GLY A 99 -5.196 -12.643 -3.974 1.00 52.43 H new ATOM 0 HA2 GLY A 99 -6.814 -12.868 -6.240 1.00 14.45 H new ATOM 0 HA3 GLY A 99 -7.114 -11.865 -4.835 1.00 14.45 H new ATOM 1586 N ALA A 100 -5.210 -10.008 -5.992 1.00 63.21 N ATOM 1587 CA ALA A 100 -4.882 -8.779 -6.704 1.00 42.02 C ATOM 1588 C ALA A 100 -4.276 -9.082 -8.070 1.00 12.20 C ATOM 1589 O ALA A 100 -4.663 -8.489 -9.077 1.00 34.04 O ATOM 1590 CB ALA A 100 -3.928 -7.930 -5.877 1.00 42.04 C ATOM 0 H ALA A 100 -4.675 -10.156 -5.136 1.00 63.21 H new ATOM 0 HA ALA A 100 -5.805 -8.221 -6.861 1.00 42.02 H new ATOM 0 HB1 ALA A 100 -3.691 -7.015 -6.420 1.00 42.04 H new ATOM 0 HB2 ALA A 100 -4.397 -7.676 -4.926 1.00 42.04 H new ATOM 0 HB3 ALA A 100 -3.011 -8.489 -5.691 1.00 42.04 H new ATOM 1596 N LYS A 101 -3.322 -10.006 -8.097 1.00 42.21 N ATOM 1597 CA LYS A 101 -2.661 -10.388 -9.339 1.00 24.14 C ATOM 1598 C LYS A 101 -3.671 -10.924 -10.350 1.00 73.14 C ATOM 1599 O LYS A 101 -3.492 -10.772 -11.558 1.00 64.11 O ATOM 1600 CB LYS A 101 -1.587 -11.444 -9.067 1.00 21.33 C ATOM 1601 CG LYS A 101 -0.215 -11.066 -9.595 1.00 61.14 C ATOM 1602 CD LYS A 101 0.349 -12.144 -10.504 1.00 11.54 C ATOM 1603 CE LYS A 101 -0.441 -12.251 -11.800 1.00 44.42 C ATOM 1604 NZ LYS A 101 -1.075 -13.590 -11.953 1.00 4.13 N ATOM 0 H LYS A 101 -2.989 -10.505 -7.272 1.00 42.21 H new ATOM 0 HA LYS A 101 -2.189 -9.499 -9.758 1.00 24.14 H new ATOM 0 HB2 LYS A 101 -1.520 -11.613 -7.992 1.00 21.33 H new ATOM 0 HB3 LYS A 101 -1.894 -12.387 -9.519 1.00 21.33 H new ATOM 0 HG2 LYS A 101 -0.281 -10.126 -10.142 1.00 61.14 H new ATOM 0 HG3 LYS A 101 0.465 -10.901 -8.759 1.00 61.14 H new ATOM 0 HD2 LYS A 101 1.392 -11.922 -10.730 1.00 11.54 H new ATOM 0 HD3 LYS A 101 0.332 -13.103 -9.986 1.00 11.54 H new ATOM 0 HE2 LYS A 101 -1.211 -11.480 -11.821 1.00 44.42 H new ATOM 0 HE3 LYS A 101 0.221 -12.064 -12.646 1.00 44.42 H new ATOM 0 HZ1 LYS A 101 -1.547 -13.647 -12.878 1.00 4.13 H new ATOM 0 HZ2 LYS A 101 -0.346 -14.329 -11.891 1.00 4.13 H new ATOM 0 HZ3 LYS A 101 -1.776 -13.731 -11.197 1.00 4.13 H new ATOM 1618 N GLN A 102 -4.730 -11.549 -9.847 1.00 62.45 N ATOM 1619 CA GLN A 102 -5.768 -12.106 -10.706 1.00 74.11 C ATOM 1620 C GLN A 102 -6.575 -10.998 -11.374 1.00 15.14 C ATOM 1621 O GLN A 102 -6.966 -11.116 -12.536 1.00 74.31 O ATOM 1622 CB GLN A 102 -6.697 -13.013 -9.898 1.00 3.12 C ATOM 1623 CG GLN A 102 -6.565 -14.486 -10.246 1.00 73.42 C ATOM 1624 CD GLN A 102 -6.259 -15.347 -9.036 1.00 31.33 C ATOM 1625 OE1 GLN A 102 -5.122 -15.394 -8.565 1.00 44.03 O ATOM 1626 NE2 GLN A 102 -7.274 -16.034 -8.526 1.00 23.44 N ATOM 0 H GLN A 102 -4.892 -11.683 -8.849 1.00 62.45 H new ATOM 0 HA GLN A 102 -5.282 -12.696 -11.483 1.00 74.11 H new ATOM 0 HB2 GLN A 102 -6.488 -12.879 -8.837 1.00 3.12 H new ATOM 0 HB3 GLN A 102 -7.728 -12.701 -10.062 1.00 3.12 H new ATOM 0 HG2 GLN A 102 -7.490 -14.831 -10.708 1.00 73.42 H new ATOM 0 HG3 GLN A 102 -5.774 -14.611 -10.985 1.00 73.42 H new ATOM 0 HE21 GLN A 102 -8.200 -15.965 -8.948 1.00 23.44 H new ATOM 0 HE22 GLN A 102 -7.128 -16.631 -7.712 1.00 23.44 H new ATOM 1635 N ILE A 103 -6.819 -9.923 -10.634 1.00 42.22 N ATOM 1636 CA ILE A 103 -7.579 -8.792 -11.155 1.00 31.15 C ATOM 1637 C ILE A 103 -6.808 -8.075 -12.259 1.00 62.22 C ATOM 1638 O ILE A 103 -7.355 -7.776 -13.320 1.00 24.21 O ATOM 1639 CB ILE A 103 -7.921 -7.783 -10.044 1.00 23.13 C ATOM 1640 CG1 ILE A 103 -8.706 -8.471 -8.925 1.00 54.25 C ATOM 1641 CG2 ILE A 103 -8.714 -6.617 -10.615 1.00 54.53 C ATOM 1642 CD1 ILE A 103 -8.715 -7.692 -7.627 1.00 13.25 C ATOM 0 H ILE A 103 -6.502 -9.810 -9.671 1.00 42.22 H new ATOM 0 HA ILE A 103 -8.505 -9.195 -11.564 1.00 31.15 H new ATOM 0 HB ILE A 103 -6.992 -7.396 -9.625 1.00 23.13 H new ATOM 0 HG12 ILE A 103 -9.734 -8.625 -9.254 1.00 54.25 H new ATOM 0 HG13 ILE A 103 -8.278 -9.457 -8.745 1.00 54.25 H new ATOM 0 HG21 ILE A 103 -8.949 -5.912 -9.818 1.00 54.53 H new ATOM 0 HG22 ILE A 103 -8.123 -6.115 -11.381 1.00 54.53 H new ATOM 0 HG23 ILE A 103 -9.639 -6.988 -11.056 1.00 54.53 H new ATOM 0 HD11 ILE A 103 -9.289 -8.238 -6.879 1.00 13.25 H new ATOM 0 HD12 ILE A 103 -7.692 -7.560 -7.274 1.00 13.25 H new ATOM 0 HD13 ILE A 103 -9.170 -6.715 -7.792 1.00 13.25 H new ATOM 1654 N VAL A 104 -5.533 -7.803 -12.001 1.00 14.12 N ATOM 1655 CA VAL A 104 -4.685 -7.122 -12.974 1.00 62.24 C ATOM 1656 C VAL A 104 -4.553 -7.940 -14.254 1.00 2.55 C ATOM 1657 O VAL A 104 -4.800 -7.437 -15.351 1.00 62.12 O ATOM 1658 CB VAL A 104 -3.280 -6.854 -12.402 1.00 32.45 C ATOM 1659 CG1 VAL A 104 -2.413 -6.144 -13.431 1.00 55.44 C ATOM 1660 CG2 VAL A 104 -3.373 -6.043 -11.119 1.00 11.41 C ATOM 0 H VAL A 104 -5.064 -8.043 -11.128 1.00 14.12 H new ATOM 0 HA VAL A 104 -5.164 -6.170 -13.202 1.00 62.24 H new ATOM 0 HB VAL A 104 -2.813 -7.810 -12.166 1.00 32.45 H new ATOM 0 HG11 VAL A 104 -1.424 -5.962 -13.010 1.00 55.44 H new ATOM 0 HG12 VAL A 104 -2.320 -6.767 -14.321 1.00 55.44 H new ATOM 0 HG13 VAL A 104 -2.873 -5.193 -13.700 1.00 55.44 H new ATOM 0 HG21 VAL A 104 -2.371 -5.863 -10.729 1.00 11.41 H new ATOM 0 HG22 VAL A 104 -3.859 -5.089 -11.326 1.00 11.41 H new ATOM 0 HG23 VAL A 104 -3.956 -6.595 -10.381 1.00 11.41 H new ATOM 1670 N ARG A 105 -4.165 -9.201 -14.108 1.00 73.44 N ATOM 1671 CA ARG A 105 -3.999 -10.088 -15.253 1.00 60.33 C ATOM 1672 C ARG A 105 -5.251 -10.087 -16.127 1.00 53.45 C ATOM 1673 O ARG A 105 -5.175 -9.862 -17.335 1.00 51.34 O ATOM 1674 CB ARG A 105 -3.695 -11.512 -14.783 1.00 23.22 C ATOM 1675 CG ARG A 105 -3.375 -12.473 -15.916 1.00 4.25 C ATOM 1676 CD ARG A 105 -4.379 -13.612 -15.981 1.00 62.41 C ATOM 1677 NE ARG A 105 -3.758 -14.866 -16.400 1.00 53.03 N ATOM 1678 CZ ARG A 105 -4.365 -16.045 -16.336 1.00 63.44 C ATOM 1679 NH1 ARG A 105 -5.604 -16.132 -15.872 1.00 61.32 N ATOM 1680 NH2 ARG A 105 -3.734 -17.142 -16.737 1.00 54.01 N ATOM 0 H ARG A 105 -3.959 -9.633 -13.207 1.00 73.44 H new ATOM 0 HA ARG A 105 -3.161 -9.721 -15.846 1.00 60.33 H new ATOM 0 HB2 ARG A 105 -2.852 -11.485 -14.092 1.00 23.22 H new ATOM 0 HB3 ARG A 105 -4.552 -11.892 -14.227 1.00 23.22 H new ATOM 0 HG2 ARG A 105 -3.374 -11.933 -16.863 1.00 4.25 H new ATOM 0 HG3 ARG A 105 -2.372 -12.878 -15.779 1.00 4.25 H new ATOM 0 HD2 ARG A 105 -4.840 -13.745 -15.002 1.00 62.41 H new ATOM 0 HD3 ARG A 105 -5.177 -13.353 -16.677 1.00 62.41 H new ATOM 0 HE ARG A 105 -2.805 -14.834 -16.762 1.00 53.03 H new ATOM 0 HH11 ARG A 105 -6.093 -15.292 -15.563 1.00 61.32 H new ATOM 0 HH12 ARG A 105 -6.068 -17.039 -15.824 1.00 61.32 H new ATOM 0 HH21 ARG A 105 -2.781 -17.080 -17.095 1.00 54.01 H new ATOM 0 HH22 ARG A 105 -4.202 -18.047 -16.687 1.00 54.01 H new ATOM 1694 N ARG A 106 -6.399 -10.337 -15.508 1.00 61.45 N ATOM 1695 CA ARG A 106 -7.666 -10.367 -16.229 1.00 53.51 C ATOM 1696 C ARG A 106 -7.907 -9.047 -16.956 1.00 33.14 C ATOM 1697 O ARG A 106 -8.369 -9.030 -18.098 1.00 61.10 O ATOM 1698 CB ARG A 106 -8.820 -10.648 -15.265 1.00 53.52 C ATOM 1699 CG ARG A 106 -10.078 -11.152 -15.953 1.00 42.23 C ATOM 1700 CD ARG A 106 -10.439 -12.556 -15.494 1.00 32.13 C ATOM 1701 NE ARG A 106 -11.617 -13.072 -16.186 1.00 41.51 N ATOM 1702 CZ ARG A 106 -11.584 -13.590 -17.408 1.00 20.15 C ATOM 1703 NH1 ARG A 106 -10.437 -13.663 -18.070 1.00 25.23 N ATOM 1704 NH2 ARG A 106 -12.698 -14.039 -17.972 1.00 43.14 N ATOM 0 H ARG A 106 -6.479 -10.522 -14.508 1.00 61.45 H new ATOM 0 HA ARG A 106 -7.617 -11.167 -16.968 1.00 53.51 H new ATOM 0 HB2 ARG A 106 -8.497 -11.386 -14.530 1.00 53.52 H new ATOM 0 HB3 ARG A 106 -9.056 -9.735 -14.718 1.00 53.52 H new ATOM 0 HG2 ARG A 106 -10.906 -10.475 -15.742 1.00 42.23 H new ATOM 0 HG3 ARG A 106 -9.930 -11.148 -17.033 1.00 42.23 H new ATOM 0 HD2 ARG A 106 -9.595 -13.223 -15.669 1.00 32.13 H new ATOM 0 HD3 ARG A 106 -10.623 -12.550 -14.420 1.00 32.13 H new ATOM 0 HE ARG A 106 -12.515 -13.032 -15.704 1.00 41.51 H new ATOM 0 HH11 ARG A 106 -9.578 -13.321 -17.640 1.00 25.23 H new ATOM 0 HH12 ARG A 106 -10.414 -14.061 -19.009 1.00 25.23 H new ATOM 0 HH21 ARG A 106 -13.582 -13.987 -17.467 1.00 43.14 H new ATOM 0 HH22 ARG A 106 -12.670 -14.436 -18.911 1.00 43.14 H new ATOM 1718 N HIS A 107 -7.592 -7.942 -16.287 1.00 11.43 N ATOM 1719 CA HIS A 107 -7.774 -6.616 -16.870 1.00 74.42 C ATOM 1720 C HIS A 107 -6.861 -6.425 -18.078 1.00 14.41 C ATOM 1721 O HIS A 107 -7.147 -5.523 -18.867 1.00 64.13 O ATOM 1722 CB HIS A 107 -7.493 -5.535 -15.828 1.00 53.14 C ATOM 1723 CG HIS A 107 -8.608 -5.347 -14.845 1.00 53.44 C ATOM 1724 ND1 HIS A 107 -9.939 -5.390 -15.199 1.00 3.43 N ATOM 1725 CD2 HIS A 107 -8.583 -5.113 -13.512 1.00 51.11 C ATOM 1726 CE1 HIS A 107 -10.685 -5.192 -14.128 1.00 40.44 C ATOM 1727 NE2 HIS A 107 -9.885 -5.021 -13.090 1.00 64.05 N ATOM 0 H HIS A 107 -7.210 -7.938 -15.341 1.00 11.43 H new ATOM 0 HA HIS A 107 -8.809 -6.530 -17.201 1.00 74.42 H new ATOM 0 HB2 HIS A 107 -6.582 -5.791 -15.287 1.00 53.14 H new ATOM 0 HB3 HIS A 107 -7.306 -4.590 -16.338 1.00 53.14 H new ATOM 0 HD2 HIS A 107 -7.702 -5.017 -12.895 1.00 51.11 H new ATOM 0 HE1 HIS A 107 -11.765 -5.173 -14.104 1.00 40.44 H new ATOM 0 HE2 HIS A 107 -10.187 -4.849 -12.131 1.00 64.05 H new ATOM 1735 N LEU A 108 -5.808 -7.218 -18.238 1.00 35.21 N ATOM 1736 CA LEU A 108 -4.906 -7.073 -19.376 1.00 70.43 C ATOM 1737 C LEU A 108 -5.338 -7.971 -20.531 1.00 1.52 C ATOM 1738 O LEU A 108 -5.287 -7.572 -21.694 1.00 15.32 O ATOM 1739 CB LEU A 108 -3.472 -7.410 -18.962 1.00 0.03 C ATOM 1740 CG LEU A 108 -2.841 -6.489 -17.918 1.00 60.34 C ATOM 1741 CD1 LEU A 108 -1.468 -7.002 -17.512 1.00 3.14 C ATOM 1742 CD2 LEU A 108 -2.746 -5.066 -18.448 1.00 20.21 C ATOM 0 H LEU A 108 -5.557 -7.968 -17.594 1.00 35.21 H new ATOM 0 HA LEU A 108 -4.947 -6.036 -19.711 1.00 70.43 H new ATOM 0 HB2 LEU A 108 -3.457 -8.429 -18.575 1.00 0.03 H new ATOM 0 HB3 LEU A 108 -2.845 -7.398 -19.854 1.00 0.03 H new ATOM 0 HG LEU A 108 -3.479 -6.484 -17.035 1.00 60.34 H new ATOM 0 HD11 LEU A 108 -1.035 -6.333 -16.768 1.00 3.14 H new ATOM 0 HD12 LEU A 108 -1.564 -8.002 -17.089 1.00 3.14 H new ATOM 0 HD13 LEU A 108 -0.820 -7.039 -18.388 1.00 3.14 H new ATOM 0 HD21 LEU A 108 -2.294 -4.425 -17.691 1.00 20.21 H new ATOM 0 HD22 LEU A 108 -2.131 -5.053 -19.348 1.00 20.21 H new ATOM 0 HD23 LEU A 108 -3.744 -4.699 -18.685 1.00 20.21 H new