USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=15 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= 0.72 USER MOD Set 1.2: A 97 THR OG1 : rot -110:sc= 0.562 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 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 33 HIS : no HD1:sc= -0.0435 K(o=-0.044,f=-7.7!) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=-0.069) USER MOD Single : A 40 LYS NZ :NH3+ -110:sc= 0 (180deg=-1.9) USER MOD Single : A 49 SER OG : rot 180:sc= 0.0906 USER MOD Single : A 53 SER OG : rot 180:sc= 0.626 USER MOD Single : A 54 LYS NZ :NH3+ 152:sc= 0.134 (180deg=-0.302) USER MOD Single : A 57 CYS SG : rot 110:sc= -0.174 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0.15) 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 180:sc= 0.0412 USER MOD Single : A 72 SER OG : rot 180:sc= 0.112 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 92:sc= 0.109 USER MOD Single : A 80 ASN : amide:sc= -0.0736 K(o=-0.074,f=-1.8!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot 90:sc= 0.272 USER MOD Single : A 87 CYS SG : rot -170:sc= 0 USER MOD Single : A 89 HIS : no HE2:sc= -0.352 K(o=-0.35,f=-1.4) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 HIS : no HD1:sc= 0.463 K(o=0.46,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 177 N ALA A 13 -5.241 2.753 3.957 1.00 22.31 N ATOM 178 CA ALA A 13 -4.304 2.017 4.796 1.00 31.04 C ATOM 179 C ALA A 13 -4.911 0.702 5.275 1.00 2.00 C ATOM 180 O ALA A 13 -4.221 -0.313 5.371 1.00 21.11 O ATOM 181 CB ALA A 13 -3.879 2.867 5.985 1.00 12.12 C ATOM 0 HA ALA A 13 -3.424 1.784 4.196 1.00 31.04 H new ATOM 0 HB1 ALA A 13 -3.179 2.304 6.603 1.00 12.12 H new ATOM 0 HB2 ALA A 13 -3.397 3.777 5.628 1.00 12.12 H new ATOM 0 HB3 ALA A 13 -4.756 3.129 6.577 1.00 12.12 H new ATOM 187 N ASP A 14 -6.205 0.727 5.573 1.00 72.03 N ATOM 188 CA ASP A 14 -6.906 -0.463 6.040 1.00 61.43 C ATOM 189 C ASP A 14 -6.719 -1.622 5.065 1.00 54.14 C ATOM 190 O ASP A 14 -6.288 -2.707 5.452 1.00 62.31 O ATOM 191 CB ASP A 14 -8.395 -0.168 6.220 1.00 15.23 C ATOM 192 CG ASP A 14 -8.986 -0.879 7.422 1.00 44.34 C ATOM 193 OD1 ASP A 14 -8.386 -1.877 7.875 1.00 15.02 O ATOM 194 OD2 ASP A 14 -10.046 -0.438 7.910 1.00 14.55 O ATOM 0 H ASP A 14 -6.790 1.559 5.499 1.00 72.03 H new ATOM 0 HA ASP A 14 -6.482 -0.749 7.003 1.00 61.43 H new ATOM 0 HB2 ASP A 14 -8.538 0.907 6.331 1.00 15.23 H new ATOM 0 HB3 ASP A 14 -8.933 -0.471 5.322 1.00 15.23 H new ATOM 199 N GLU A 15 -7.048 -1.383 3.799 1.00 13.51 N ATOM 200 CA GLU A 15 -6.918 -2.407 2.770 1.00 24.40 C ATOM 201 C GLU A 15 -5.470 -2.874 2.646 1.00 14.33 C ATOM 202 O GLU A 15 -5.201 -4.065 2.491 1.00 13.01 O ATOM 203 CB GLU A 15 -7.411 -1.873 1.423 1.00 31.31 C ATOM 204 CG GLU A 15 -8.925 -1.796 1.316 1.00 2.51 C ATOM 205 CD GLU A 15 -9.424 -0.376 1.133 1.00 11.31 C ATOM 206 OE1 GLU A 15 -9.147 0.218 0.070 1.00 13.33 O ATOM 207 OE2 GLU A 15 -10.092 0.140 2.053 1.00 54.12 O ATOM 0 H GLU A 15 -7.406 -0.489 3.462 1.00 13.51 H new ATOM 0 HA GLU A 15 -7.532 -3.259 3.062 1.00 24.40 H new ATOM 0 HB2 GLU A 15 -6.993 -0.880 1.260 1.00 31.31 H new ATOM 0 HB3 GLU A 15 -7.031 -2.513 0.627 1.00 31.31 H new ATOM 0 HG2 GLU A 15 -9.258 -2.405 0.476 1.00 2.51 H new ATOM 0 HG3 GLU A 15 -9.371 -2.221 2.215 1.00 2.51 H new ATOM 214 N LEU A 16 -4.542 -1.925 2.715 1.00 33.32 N ATOM 215 CA LEU A 16 -3.121 -2.238 2.610 1.00 14.54 C ATOM 216 C LEU A 16 -2.678 -3.149 3.749 1.00 22.41 C ATOM 217 O LEU A 16 -2.013 -4.160 3.525 1.00 4.04 O ATOM 218 CB LEU A 16 -2.294 -0.951 2.620 1.00 1.54 C ATOM 219 CG LEU A 16 -0.875 -1.061 2.064 1.00 44.11 C ATOM 220 CD1 LEU A 16 0.042 -1.741 3.069 1.00 23.22 C ATOM 221 CD2 LEU A 16 -0.875 -1.817 0.743 1.00 35.34 C ATOM 0 H LEU A 16 -4.748 -0.934 2.843 1.00 33.32 H new ATOM 0 HA LEU A 16 -2.958 -2.761 1.668 1.00 14.54 H new ATOM 0 HB2 LEU A 16 -2.830 -0.194 2.047 1.00 1.54 H new ATOM 0 HB3 LEU A 16 -2.233 -0.590 3.647 1.00 1.54 H new ATOM 0 HG LEU A 16 -0.499 -0.054 1.883 1.00 44.11 H new ATOM 0 HD11 LEU A 16 1.048 -1.810 2.655 1.00 23.22 H new ATOM 0 HD12 LEU A 16 0.068 -1.159 3.990 1.00 23.22 H new ATOM 0 HD13 LEU A 16 -0.332 -2.742 3.283 1.00 23.22 H new ATOM 0 HD21 LEU A 16 0.144 -1.885 0.363 1.00 35.34 H new ATOM 0 HD22 LEU A 16 -1.272 -2.820 0.898 1.00 35.34 H new ATOM 0 HD23 LEU A 16 -1.497 -1.288 0.021 1.00 35.34 H new ATOM 233 N GLU A 17 -3.054 -2.786 4.972 1.00 20.43 N ATOM 234 CA GLU A 17 -2.696 -3.573 6.147 1.00 42.15 C ATOM 235 C GLU A 17 -3.558 -4.828 6.244 1.00 72.20 C ATOM 236 O GLU A 17 -3.286 -5.721 7.046 1.00 45.54 O ATOM 237 CB GLU A 17 -2.852 -2.734 7.417 1.00 44.25 C ATOM 238 CG GLU A 17 -2.339 -3.425 8.668 1.00 5.13 C ATOM 239 CD GLU A 17 -2.187 -2.474 9.839 1.00 22.02 C ATOM 240 OE1 GLU A 17 -3.106 -1.659 10.064 1.00 3.23 O ATOM 241 OE2 GLU A 17 -1.149 -2.544 10.531 1.00 53.13 O ATOM 0 H GLU A 17 -3.606 -1.953 5.175 1.00 20.43 H new ATOM 0 HA GLU A 17 -1.654 -3.876 6.046 1.00 42.15 H new ATOM 0 HB2 GLU A 17 -2.319 -1.792 7.288 1.00 44.25 H new ATOM 0 HB3 GLU A 17 -3.905 -2.489 7.553 1.00 44.25 H new ATOM 0 HG2 GLU A 17 -3.024 -4.227 8.943 1.00 5.13 H new ATOM 0 HG3 GLU A 17 -1.376 -3.888 8.454 1.00 5.13 H new ATOM 248 N ARG A 18 -4.601 -4.888 5.421 1.00 64.03 N ATOM 249 CA ARG A 18 -5.505 -6.031 5.415 1.00 23.12 C ATOM 250 C ARG A 18 -4.995 -7.123 4.479 1.00 53.24 C ATOM 251 O ARG A 18 -4.885 -8.286 4.867 1.00 3.32 O ATOM 252 CB ARG A 18 -6.909 -5.597 4.992 1.00 13.14 C ATOM 253 CG ARG A 18 -7.839 -5.319 6.162 1.00 70.11 C ATOM 254 CD ARG A 18 -9.229 -4.922 5.688 1.00 44.14 C ATOM 255 NE ARG A 18 -9.960 -6.056 5.128 1.00 51.24 N ATOM 256 CZ ARG A 18 -11.183 -5.962 4.619 1.00 12.53 C ATOM 257 NH1 ARG A 18 -11.809 -4.793 4.600 1.00 71.20 N ATOM 258 NH2 ARG A 18 -11.784 -7.038 4.127 1.00 25.55 N ATOM 0 H ARG A 18 -4.840 -4.158 4.750 1.00 64.03 H new ATOM 0 HA ARG A 18 -5.547 -6.434 6.427 1.00 23.12 H new ATOM 0 HB2 ARG A 18 -6.833 -4.700 4.378 1.00 13.14 H new ATOM 0 HB3 ARG A 18 -7.348 -6.375 4.367 1.00 13.14 H new ATOM 0 HG2 ARG A 18 -7.908 -6.206 6.792 1.00 70.11 H new ATOM 0 HG3 ARG A 18 -7.422 -4.522 6.778 1.00 70.11 H new ATOM 0 HD2 ARG A 18 -9.792 -4.505 6.523 1.00 44.14 H new ATOM 0 HD3 ARG A 18 -9.145 -4.137 4.936 1.00 44.14 H new ATOM 0 HE ARG A 18 -9.506 -6.970 5.128 1.00 51.24 H new ATOM 0 HH11 ARG A 18 -11.351 -3.963 4.977 1.00 71.20 H new ATOM 0 HH12 ARG A 18 -12.748 -4.724 4.208 1.00 71.20 H new ATOM 0 HH21 ARG A 18 -11.307 -7.939 4.139 1.00 25.55 H new ATOM 0 HH22 ARG A 18 -12.723 -6.964 3.737 1.00 25.55 H new ATOM 272 N ILE A 19 -4.686 -6.739 3.244 1.00 33.21 N ATOM 273 CA ILE A 19 -4.188 -7.685 2.253 1.00 42.42 C ATOM 274 C ILE A 19 -3.022 -8.497 2.806 1.00 35.10 C ATOM 275 O ILE A 19 -2.102 -7.948 3.412 1.00 43.35 O ATOM 276 CB ILE A 19 -3.735 -6.967 0.968 1.00 51.33 C ATOM 277 CG1 ILE A 19 -4.892 -6.162 0.372 1.00 14.22 C ATOM 278 CG2 ILE A 19 -3.208 -7.973 -0.044 1.00 23.52 C ATOM 279 CD1 ILE A 19 -4.462 -4.848 -0.240 1.00 54.01 C ATOM 0 H ILE A 19 -4.772 -5.780 2.907 1.00 33.21 H new ATOM 0 HA ILE A 19 -5.013 -8.355 2.013 1.00 42.42 H new ATOM 0 HB ILE A 19 -2.929 -6.278 1.220 1.00 51.33 H new ATOM 0 HG12 ILE A 19 -5.388 -6.763 -0.390 1.00 14.22 H new ATOM 0 HG13 ILE A 19 -5.628 -5.967 1.152 1.00 14.22 H new ATOM 0 HG21 ILE A 19 -2.892 -7.450 -0.946 1.00 23.52 H new ATOM 0 HG22 ILE A 19 -2.359 -8.507 0.382 1.00 23.52 H new ATOM 0 HG23 ILE A 19 -3.995 -8.684 -0.294 1.00 23.52 H new ATOM 0 HD11 ILE A 19 -5.333 -4.332 -0.642 1.00 54.01 H new ATOM 0 HD12 ILE A 19 -3.993 -4.227 0.523 1.00 54.01 H new ATOM 0 HD13 ILE A 19 -3.749 -5.037 -1.043 1.00 54.01 H new ATOM 291 N ARG A 20 -3.067 -9.808 2.592 1.00 14.20 N ATOM 292 CA ARG A 20 -2.014 -10.696 3.068 1.00 1.10 C ATOM 293 C ARG A 20 -1.116 -11.141 1.917 1.00 52.23 C ATOM 294 O ARG A 20 -1.518 -11.109 0.754 1.00 54.33 O ATOM 295 CB ARG A 20 -2.622 -11.920 3.757 1.00 42.22 C ATOM 296 CG ARG A 20 -3.508 -11.573 4.942 1.00 73.01 C ATOM 297 CD ARG A 20 -3.411 -12.625 6.036 1.00 15.10 C ATOM 298 NE ARG A 20 -4.556 -13.531 6.025 1.00 20.33 N ATOM 299 CZ ARG A 20 -5.753 -13.210 6.505 1.00 25.15 C ATOM 300 NH1 ARG A 20 -5.959 -12.010 7.030 1.00 32.14 N ATOM 301 NH2 ARG A 20 -6.745 -14.090 6.461 1.00 74.33 N ATOM 0 H ARG A 20 -3.822 -10.278 2.092 1.00 14.20 H new ATOM 0 HA ARG A 20 -1.408 -10.146 3.788 1.00 1.10 H new ATOM 0 HB2 ARG A 20 -3.207 -12.483 3.029 1.00 42.22 H new ATOM 0 HB3 ARG A 20 -1.818 -12.574 4.094 1.00 42.22 H new ATOM 0 HG2 ARG A 20 -3.218 -10.602 5.343 1.00 73.01 H new ATOM 0 HG3 ARG A 20 -4.543 -11.485 4.611 1.00 73.01 H new ATOM 0 HD2 ARG A 20 -2.493 -13.199 5.907 1.00 15.10 H new ATOM 0 HD3 ARG A 20 -3.346 -12.134 7.007 1.00 15.10 H new ATOM 0 HE ARG A 20 -4.430 -14.462 5.627 1.00 20.33 H new ATOM 0 HH11 ARG A 20 -5.198 -11.332 7.066 1.00 32.14 H new ATOM 0 HH12 ARG A 20 -6.878 -11.765 7.398 1.00 32.14 H new ATOM 0 HH21 ARG A 20 -6.589 -15.014 6.058 1.00 74.33 H new ATOM 0 HH22 ARG A 20 -7.663 -13.842 6.830 1.00 74.33 H new ATOM 315 N LEU A 21 0.101 -11.555 2.249 1.00 31.31 N ATOM 316 CA LEU A 21 1.057 -12.007 1.244 1.00 22.23 C ATOM 317 C LEU A 21 0.702 -13.403 0.743 1.00 75.31 C ATOM 318 O LEU A 21 1.037 -13.773 -0.383 1.00 25.11 O ATOM 319 CB LEU A 21 2.474 -12.005 1.821 1.00 12.11 C ATOM 320 CG LEU A 21 2.932 -10.700 2.471 1.00 2.22 C ATOM 321 CD1 LEU A 21 4.259 -10.897 3.188 1.00 42.44 C ATOM 322 CD2 LEU A 21 3.044 -9.596 1.430 1.00 3.55 C ATOM 0 H LEU A 21 0.450 -11.587 3.207 1.00 31.31 H new ATOM 0 HA LEU A 21 1.014 -11.317 0.402 1.00 22.23 H new ATOM 0 HB2 LEU A 21 2.544 -12.801 2.562 1.00 12.11 H new ATOM 0 HB3 LEU A 21 3.171 -12.253 1.021 1.00 12.11 H new ATOM 0 HG LEU A 21 2.186 -10.402 3.208 1.00 2.22 H new ATOM 0 HD11 LEU A 21 4.569 -9.957 3.645 1.00 42.44 H new ATOM 0 HD12 LEU A 21 4.145 -11.656 3.962 1.00 42.44 H new ATOM 0 HD13 LEU A 21 5.015 -11.219 2.472 1.00 42.44 H new ATOM 0 HD21 LEU A 21 3.371 -8.674 1.911 1.00 3.55 H new ATOM 0 HD22 LEU A 21 3.769 -9.885 0.669 1.00 3.55 H new ATOM 0 HD23 LEU A 21 2.072 -9.436 0.963 1.00 3.55 H new ATOM 334 N ARG A 22 0.019 -14.173 1.584 1.00 54.53 N ATOM 335 CA ARG A 22 -0.384 -15.527 1.226 1.00 5.30 C ATOM 336 C ARG A 22 -1.874 -15.737 1.479 1.00 50.43 C ATOM 337 O ARG A 22 -2.509 -15.002 2.235 1.00 10.40 O ATOM 338 CB ARG A 22 0.429 -16.551 2.022 1.00 13.41 C ATOM 339 CG ARG A 22 1.495 -17.255 1.199 1.00 4.41 C ATOM 340 CD ARG A 22 1.834 -18.619 1.778 1.00 23.20 C ATOM 341 NE ARG A 22 3.275 -18.803 1.937 1.00 70.23 N ATOM 342 CZ ARG A 22 3.824 -19.908 2.429 1.00 11.10 C ATOM 343 NH1 ARG A 22 3.058 -20.921 2.809 1.00 54.01 N ATOM 344 NH2 ARG A 22 5.143 -20.001 2.543 1.00 42.35 N ATOM 0 H ARG A 22 -0.267 -13.882 2.519 1.00 54.53 H new ATOM 0 HA ARG A 22 -0.191 -15.667 0.162 1.00 5.30 H new ATOM 0 HB2 ARG A 22 0.905 -16.049 2.864 1.00 13.41 H new ATOM 0 HB3 ARG A 22 -0.249 -17.297 2.437 1.00 13.41 H new ATOM 0 HG2 ARG A 22 1.147 -17.370 0.173 1.00 4.41 H new ATOM 0 HG3 ARG A 22 2.394 -16.640 1.163 1.00 4.41 H new ATOM 0 HD2 ARG A 22 1.345 -18.734 2.745 1.00 23.20 H new ATOM 0 HD3 ARG A 22 1.439 -19.398 1.126 1.00 23.20 H new ATOM 0 HE ARG A 22 3.893 -18.042 1.655 1.00 70.23 H new ATOM 0 HH11 ARG A 22 2.044 -20.853 2.724 1.00 54.01 H new ATOM 0 HH12 ARG A 22 3.483 -21.768 3.186 1.00 54.01 H new ATOM 0 HH21 ARG A 22 5.736 -19.224 2.253 1.00 42.35 H new ATOM 0 HH22 ARG A 22 5.564 -20.850 2.921 1.00 42.35 H new ATOM 358 N PRO A 23 -2.445 -16.763 0.831 1.00 11.44 N ATOM 359 CA PRO A 23 -3.866 -17.092 0.970 1.00 34.42 C ATOM 360 C PRO A 23 -4.201 -17.650 2.349 1.00 21.32 C ATOM 361 O PRO A 23 -5.285 -17.414 2.879 1.00 11.43 O ATOM 362 CB PRO A 23 -4.090 -18.158 -0.106 1.00 63.32 C ATOM 363 CG PRO A 23 -2.751 -18.777 -0.309 1.00 23.44 C ATOM 364 CD PRO A 23 -1.748 -17.680 -0.086 1.00 2.13 C ATOM 0 HA PRO A 23 -4.500 -16.212 0.858 1.00 34.42 H new ATOM 0 HB2 PRO A 23 -4.823 -18.897 0.216 1.00 63.32 H new ATOM 0 HB3 PRO A 23 -4.466 -17.716 -1.029 1.00 63.32 H new ATOM 0 HG2 PRO A 23 -2.592 -19.599 0.389 1.00 23.44 H new ATOM 0 HG3 PRO A 23 -2.660 -19.190 -1.314 1.00 23.44 H new ATOM 0 HD2 PRO A 23 -0.825 -18.062 0.351 1.00 2.13 H new ATOM 0 HD3 PRO A 23 -1.478 -17.186 -1.020 1.00 2.13 H new ATOM 372 N GLY A 24 -3.260 -18.391 2.927 1.00 50.20 N ATOM 373 CA GLY A 24 -3.473 -18.971 4.240 1.00 13.24 C ATOM 374 C GLY A 24 -2.453 -18.497 5.256 1.00 2.21 C ATOM 375 O GLY A 24 -2.203 -19.169 6.255 1.00 23.25 O ATOM 0 H GLY A 24 -2.353 -18.600 2.509 1.00 50.20 H new ATOM 0 HA2 GLY A 24 -4.474 -18.716 4.588 1.00 13.24 H new ATOM 0 HA3 GLY A 24 -3.429 -20.058 4.165 1.00 13.24 H new ATOM 379 N GLY A 25 -1.861 -17.335 4.999 1.00 2.52 N ATOM 380 CA GLY A 25 -0.866 -16.792 5.907 1.00 34.51 C ATOM 381 C GLY A 25 -1.419 -15.678 6.772 1.00 11.53 C ATOM 382 O GLY A 25 -2.602 -15.345 6.691 1.00 61.52 O ATOM 0 H GLY A 25 -2.052 -16.760 4.179 1.00 2.52 H new ATOM 0 HA2 GLY A 25 -0.487 -17.590 6.546 1.00 34.51 H new ATOM 0 HA3 GLY A 25 -0.020 -16.416 5.332 1.00 34.51 H new ATOM 386 N LYS A 26 -0.562 -15.097 7.607 1.00 70.05 N ATOM 387 CA LYS A 26 -0.970 -14.013 8.492 1.00 32.13 C ATOM 388 C LYS A 26 -0.102 -12.778 8.276 1.00 72.21 C ATOM 389 O LYS A 26 -0.148 -11.828 9.058 1.00 74.03 O ATOM 390 CB LYS A 26 -0.884 -14.460 9.953 1.00 22.34 C ATOM 391 CG LYS A 26 -1.788 -15.636 10.283 1.00 63.31 C ATOM 392 CD LYS A 26 -3.078 -15.180 10.944 1.00 42.34 C ATOM 393 CE LYS A 26 -3.776 -16.328 11.656 1.00 3.11 C ATOM 394 NZ LYS A 26 -5.257 -16.245 11.523 1.00 64.41 N ATOM 0 H LYS A 26 0.420 -15.360 7.688 1.00 70.05 H new ATOM 0 HA LYS A 26 -2.003 -13.755 8.257 1.00 32.13 H new ATOM 0 HB2 LYS A 26 0.147 -14.730 10.182 1.00 22.34 H new ATOM 0 HB3 LYS A 26 -1.144 -13.620 10.597 1.00 22.34 H new ATOM 0 HG2 LYS A 26 -2.020 -16.185 9.370 1.00 63.31 H new ATOM 0 HG3 LYS A 26 -1.263 -16.325 10.945 1.00 63.31 H new ATOM 0 HD2 LYS A 26 -2.861 -14.386 11.658 1.00 42.34 H new ATOM 0 HD3 LYS A 26 -3.744 -14.758 10.191 1.00 42.34 H new ATOM 0 HE2 LYS A 26 -3.427 -17.276 11.246 1.00 3.11 H new ATOM 0 HE3 LYS A 26 -3.505 -16.319 12.712 1.00 3.11 H new ATOM 0 HZ1 LYS A 26 -5.696 -17.045 12.022 1.00 64.41 H new ATOM 0 HZ2 LYS A 26 -5.593 -15.352 11.937 1.00 64.41 H new ATOM 0 HZ3 LYS A 26 -5.518 -16.279 10.517 1.00 64.41 H new ATOM 408 N LYS A 27 0.689 -12.796 7.209 1.00 65.00 N ATOM 409 CA LYS A 27 1.567 -11.677 6.887 1.00 44.22 C ATOM 410 C LYS A 27 0.855 -10.666 5.995 1.00 73.21 C ATOM 411 O LYS A 27 0.373 -11.007 4.913 1.00 3.03 O ATOM 412 CB LYS A 27 2.836 -12.180 6.194 1.00 31.21 C ATOM 413 CG LYS A 27 3.954 -12.538 7.157 1.00 14.42 C ATOM 414 CD LYS A 27 5.217 -12.947 6.419 1.00 73.03 C ATOM 415 CE LYS A 27 6.140 -11.759 6.193 1.00 42.54 C ATOM 416 NZ LYS A 27 7.544 -12.067 6.581 1.00 40.31 N ATOM 0 H LYS A 27 0.740 -13.574 6.552 1.00 65.00 H new ATOM 0 HA LYS A 27 1.841 -11.183 7.819 1.00 44.22 H new ATOM 0 HB2 LYS A 27 2.589 -13.057 5.595 1.00 31.21 H new ATOM 0 HB3 LYS A 27 3.192 -11.413 5.506 1.00 31.21 H new ATOM 0 HG2 LYS A 27 4.168 -11.685 7.801 1.00 14.42 H new ATOM 0 HG3 LYS A 27 3.630 -13.353 7.805 1.00 14.42 H new ATOM 0 HD2 LYS A 27 5.741 -13.713 6.990 1.00 73.03 H new ATOM 0 HD3 LYS A 27 4.951 -13.391 5.459 1.00 73.03 H new ATOM 0 HE2 LYS A 27 6.109 -11.469 5.143 1.00 42.54 H new ATOM 0 HE3 LYS A 27 5.782 -10.906 6.770 1.00 42.54 H new ATOM 0 HZ1 LYS A 27 8.142 -11.233 6.412 1.00 40.31 H new ATOM 0 HZ2 LYS A 27 7.578 -12.319 7.589 1.00 40.31 H new ATOM 0 HZ3 LYS A 27 7.894 -12.865 6.013 1.00 40.31 H new ATOM 430 N LYS A 28 0.790 -9.420 6.453 1.00 24.41 N ATOM 431 CA LYS A 28 0.139 -8.358 5.696 1.00 45.31 C ATOM 432 C LYS A 28 1.168 -7.378 5.139 1.00 74.43 C ATOM 433 O LYS A 28 2.218 -7.155 5.742 1.00 72.52 O ATOM 434 CB LYS A 28 -0.863 -7.614 6.581 1.00 71.31 C ATOM 435 CG LYS A 28 -2.109 -8.421 6.900 1.00 35.31 C ATOM 436 CD LYS A 28 -2.559 -8.209 8.336 1.00 41.32 C ATOM 437 CE LYS A 28 -2.534 -9.508 9.126 1.00 60.13 C ATOM 438 NZ LYS A 28 -2.952 -9.305 10.541 1.00 24.41 N ATOM 0 H LYS A 28 1.181 -9.121 7.346 1.00 24.41 H new ATOM 0 HA LYS A 28 -0.392 -8.814 4.860 1.00 45.31 H new ATOM 0 HB2 LYS A 28 -0.373 -7.334 7.514 1.00 71.31 H new ATOM 0 HB3 LYS A 28 -1.157 -6.689 6.085 1.00 71.31 H new ATOM 0 HG2 LYS A 28 -2.912 -8.136 6.220 1.00 35.31 H new ATOM 0 HG3 LYS A 28 -1.911 -9.480 6.733 1.00 35.31 H new ATOM 0 HD2 LYS A 28 -1.910 -7.477 8.817 1.00 41.32 H new ATOM 0 HD3 LYS A 28 -3.568 -7.796 8.345 1.00 41.32 H new ATOM 0 HE2 LYS A 28 -3.195 -10.234 8.653 1.00 60.13 H new ATOM 0 HE3 LYS A 28 -1.529 -9.929 9.101 1.00 60.13 H new ATOM 0 HZ1 LYS A 28 -2.922 -10.214 11.046 1.00 24.41 H new ATOM 0 HZ2 LYS A 28 -2.306 -8.632 11.001 1.00 24.41 H new ATOM 0 HZ3 LYS A 28 -3.921 -8.927 10.566 1.00 24.41 H new ATOM 452 N TYR A 29 0.857 -6.795 3.986 1.00 3.54 N ATOM 453 CA TYR A 29 1.755 -5.839 3.348 1.00 31.35 C ATOM 454 C TYR A 29 2.033 -4.655 4.268 1.00 10.23 C ATOM 455 O TYR A 29 1.138 -4.166 4.958 1.00 0.05 O ATOM 456 CB TYR A 29 1.154 -5.345 2.031 1.00 64.32 C ATOM 457 CG TYR A 29 1.439 -6.255 0.857 1.00 30.42 C ATOM 458 CD1 TYR A 29 2.730 -6.403 0.365 1.00 43.33 C ATOM 459 CD2 TYR A 29 0.418 -6.967 0.241 1.00 33.30 C ATOM 460 CE1 TYR A 29 2.995 -7.232 -0.708 1.00 73.31 C ATOM 461 CE2 TYR A 29 0.673 -7.801 -0.831 1.00 4.00 C ATOM 462 CZ TYR A 29 1.964 -7.930 -1.301 1.00 53.44 C ATOM 463 OH TYR A 29 2.222 -8.758 -2.370 1.00 1.02 O ATOM 0 H TYR A 29 -0.009 -6.967 3.475 1.00 3.54 H new ATOM 0 HA TYR A 29 2.698 -6.346 3.143 1.00 31.35 H new ATOM 0 HB2 TYR A 29 0.075 -5.244 2.149 1.00 64.32 H new ATOM 0 HB3 TYR A 29 1.545 -4.351 1.813 1.00 64.32 H new ATOM 0 HD1 TYR A 29 3.540 -5.861 0.829 1.00 43.33 H new ATOM 0 HD2 TYR A 29 -0.593 -6.867 0.606 1.00 33.30 H new ATOM 0 HE1 TYR A 29 4.004 -7.333 -1.080 1.00 73.31 H new ATOM 0 HE2 TYR A 29 -0.133 -8.348 -1.298 1.00 4.00 H new ATOM 0 HH TYR A 29 3.131 -9.116 -2.295 1.00 1.02 H new ATOM 473 N ARG A 30 3.281 -4.197 4.273 1.00 53.14 N ATOM 474 CA ARG A 30 3.679 -3.070 5.108 1.00 74.22 C ATOM 475 C ARG A 30 4.808 -2.280 4.451 1.00 30.33 C ATOM 476 O ARG A 30 5.413 -2.732 3.479 1.00 32.24 O ATOM 477 CB ARG A 30 4.121 -3.561 6.487 1.00 61.43 C ATOM 478 CG ARG A 30 3.340 -2.941 7.633 1.00 30.44 C ATOM 479 CD ARG A 30 4.259 -2.509 8.765 1.00 32.12 C ATOM 480 NE ARG A 30 4.949 -3.644 9.374 1.00 71.14 N ATOM 481 CZ ARG A 30 4.379 -4.468 10.246 1.00 21.14 C ATOM 482 NH1 ARG A 30 3.118 -4.285 10.611 1.00 51.33 N ATOM 483 NH2 ARG A 30 5.072 -5.479 10.756 1.00 44.50 N ATOM 0 H ARG A 30 4.034 -4.589 3.708 1.00 53.14 H new ATOM 0 HA ARG A 30 2.817 -2.413 5.223 1.00 74.22 H new ATOM 0 HB2 ARG A 30 4.013 -4.645 6.529 1.00 61.43 H new ATOM 0 HB3 ARG A 30 5.180 -3.341 6.619 1.00 61.43 H new ATOM 0 HG2 ARG A 30 2.780 -2.080 7.269 1.00 30.44 H new ATOM 0 HG3 ARG A 30 2.611 -3.659 8.009 1.00 30.44 H new ATOM 0 HD2 ARG A 30 4.994 -1.800 8.384 1.00 32.12 H new ATOM 0 HD3 ARG A 30 3.677 -1.988 9.525 1.00 32.12 H new ATOM 0 HE ARG A 30 5.921 -3.813 9.115 1.00 71.14 H new ATOM 0 HH11 ARG A 30 2.582 -3.509 10.222 1.00 51.33 H new ATOM 0 HH12 ARG A 30 2.684 -4.920 11.281 1.00 51.33 H new ATOM 0 HH21 ARG A 30 6.043 -5.623 10.478 1.00 44.50 H new ATOM 0 HH22 ARG A 30 4.634 -6.111 11.426 1.00 44.50 H new ATOM 497 N LEU A 31 5.084 -1.097 4.989 1.00 22.13 N ATOM 498 CA LEU A 31 6.140 -0.242 4.457 1.00 31.52 C ATOM 499 C LEU A 31 7.373 -1.063 4.091 1.00 71.12 C ATOM 500 O LEU A 31 8.042 -0.789 3.095 1.00 53.44 O ATOM 501 CB LEU A 31 6.515 0.834 5.477 1.00 72.04 C ATOM 502 CG LEU A 31 5.701 2.127 5.417 1.00 50.42 C ATOM 503 CD1 LEU A 31 4.221 1.837 5.613 1.00 31.01 C ATOM 504 CD2 LEU A 31 6.195 3.118 6.461 1.00 24.11 C ATOM 0 H LEU A 31 4.591 -0.708 5.793 1.00 22.13 H new ATOM 0 HA LEU A 31 5.764 0.238 3.553 1.00 31.52 H new ATOM 0 HB2 LEU A 31 6.414 0.410 6.476 1.00 72.04 H new ATOM 0 HB3 LEU A 31 7.567 1.084 5.342 1.00 72.04 H new ATOM 0 HG LEU A 31 5.835 2.572 4.431 1.00 50.42 H new ATOM 0 HD11 LEU A 31 3.658 2.769 5.567 1.00 31.01 H new ATOM 0 HD12 LEU A 31 3.875 1.165 4.828 1.00 31.01 H new ATOM 0 HD13 LEU A 31 4.068 1.368 6.585 1.00 31.01 H new ATOM 0 HD21 LEU A 31 5.604 4.032 6.403 1.00 24.11 H new ATOM 0 HD22 LEU A 31 6.092 2.681 7.454 1.00 24.11 H new ATOM 0 HD23 LEU A 31 7.243 3.351 6.274 1.00 24.11 H new ATOM 516 N LYS A 32 7.666 -2.073 4.903 1.00 3.11 N ATOM 517 CA LYS A 32 8.817 -2.938 4.664 1.00 55.12 C ATOM 518 C LYS A 32 8.824 -3.448 3.226 1.00 31.44 C ATOM 519 O LYS A 32 9.831 -3.346 2.526 1.00 73.13 O ATOM 520 CB LYS A 32 8.804 -4.119 5.637 1.00 35.40 C ATOM 521 CG LYS A 32 10.158 -4.786 5.802 1.00 70.13 C ATOM 522 CD LYS A 32 10.278 -5.478 7.149 1.00 43.30 C ATOM 523 CE LYS A 32 11.382 -4.862 7.995 1.00 51.52 C ATOM 524 NZ LYS A 32 11.558 -5.581 9.287 1.00 63.30 N ATOM 0 H LYS A 32 7.123 -2.313 5.732 1.00 3.11 H new ATOM 0 HA LYS A 32 9.722 -2.352 4.827 1.00 55.12 H new ATOM 0 HB2 LYS A 32 8.458 -3.773 6.611 1.00 35.40 H new ATOM 0 HB3 LYS A 32 8.084 -4.859 5.287 1.00 35.40 H new ATOM 0 HG2 LYS A 32 10.306 -5.513 5.004 1.00 70.13 H new ATOM 0 HG3 LYS A 32 10.947 -4.040 5.704 1.00 70.13 H new ATOM 0 HD2 LYS A 32 9.329 -5.409 7.681 1.00 43.30 H new ATOM 0 HD3 LYS A 32 10.482 -6.538 6.998 1.00 43.30 H new ATOM 0 HE2 LYS A 32 12.319 -4.881 7.439 1.00 51.52 H new ATOM 0 HE3 LYS A 32 11.148 -3.815 8.191 1.00 51.52 H new ATOM 0 HZ1 LYS A 32 12.319 -5.131 9.834 1.00 63.30 H new ATOM 0 HZ2 LYS A 32 10.672 -5.542 9.830 1.00 63.30 H new ATOM 0 HZ3 LYS A 32 11.806 -6.574 9.101 1.00 63.30 H new ATOM 538 N HIS A 33 7.693 -3.998 2.793 1.00 24.31 N ATOM 539 CA HIS A 33 7.569 -4.525 1.438 1.00 3.52 C ATOM 540 C HIS A 33 7.519 -3.389 0.419 1.00 4.21 C ATOM 541 O HIS A 33 8.156 -3.538 -0.624 1.00 73.31 O ATOM 542 CB HIS A 33 6.314 -5.389 1.316 1.00 35.00 C ATOM 543 CG HIS A 33 6.152 -6.368 2.438 1.00 73.52 C ATOM 544 ND1 HIS A 33 5.147 -6.277 3.377 1.00 11.25 N ATOM 545 CD2 HIS A 33 6.873 -7.465 2.766 1.00 32.43 C ATOM 546 CE1 HIS A 33 5.258 -7.275 4.237 1.00 41.01 C ATOM 547 NE2 HIS A 33 6.297 -8.011 3.887 1.00 23.42 N ATOM 0 H HIS A 33 6.850 -4.090 3.360 1.00 24.31 H new ATOM 0 HA HIS A 33 8.445 -5.140 1.231 1.00 3.52 H new ATOM 0 HB2 HIS A 33 5.438 -4.741 1.280 1.00 35.00 H new ATOM 0 HB3 HIS A 33 6.347 -5.933 0.372 1.00 35.00 H new ATOM 0 HD2 HIS A 33 7.740 -7.841 2.244 1.00 32.43 H new ATOM 0 HE1 HIS A 33 4.610 -7.457 5.081 1.00 41.01 H new ATOM 0 HE2 HIS A 33 6.620 -8.849 4.371 1.00 23.42 H new ATOM 555 N ILE A 34 6.805 -2.300 0.682 1.00 4.33 N ATOM 556 CA ILE A 34 6.730 -1.191 -0.260 1.00 34.13 C ATOM 557 C ILE A 34 8.114 -0.626 -0.558 1.00 2.13 C ATOM 558 O ILE A 34 8.391 -0.186 -1.675 1.00 32.33 O ATOM 559 CB ILE A 34 5.830 -0.059 0.273 1.00 33.32 C ATOM 560 CG1 ILE A 34 4.508 -0.631 0.791 1.00 3.45 C ATOM 561 CG2 ILE A 34 5.576 0.973 -0.816 1.00 30.14 C ATOM 562 CD1 ILE A 34 3.558 0.424 1.314 1.00 72.44 C ATOM 0 H ILE A 34 6.270 -2.162 1.540 1.00 4.33 H new ATOM 0 HA ILE A 34 6.297 -1.587 -1.178 1.00 34.13 H new ATOM 0 HB ILE A 34 6.341 0.433 1.101 1.00 33.32 H new ATOM 0 HG12 ILE A 34 4.020 -1.182 -0.013 1.00 3.45 H new ATOM 0 HG13 ILE A 34 4.718 -1.346 1.586 1.00 3.45 H new ATOM 0 HG21 ILE A 34 4.939 1.766 -0.424 1.00 30.14 H new ATOM 0 HG22 ILE A 34 6.525 1.398 -1.143 1.00 30.14 H new ATOM 0 HG23 ILE A 34 5.082 0.495 -1.662 1.00 30.14 H new ATOM 0 HD11 ILE A 34 2.642 -0.052 1.664 1.00 72.44 H new ATOM 0 HD12 ILE A 34 4.027 0.959 2.139 1.00 72.44 H new ATOM 0 HD13 ILE A 34 3.319 1.126 0.515 1.00 72.44 H new ATOM 574 N VAL A 35 8.983 -0.642 0.448 1.00 62.51 N ATOM 575 CA VAL A 35 10.341 -0.134 0.294 1.00 73.51 C ATOM 576 C VAL A 35 11.226 -1.146 -0.426 1.00 42.22 C ATOM 577 O VAL A 35 12.084 -0.774 -1.228 1.00 52.12 O ATOM 578 CB VAL A 35 10.971 0.204 1.657 1.00 24.02 C ATOM 579 CG1 VAL A 35 12.407 0.677 1.480 1.00 54.15 C ATOM 580 CG2 VAL A 35 10.142 1.254 2.382 1.00 53.21 C ATOM 0 H VAL A 35 8.770 -1.001 1.379 1.00 62.51 H new ATOM 0 HA VAL A 35 10.274 0.776 -0.302 1.00 73.51 H new ATOM 0 HB VAL A 35 10.983 -0.700 2.265 1.00 24.02 H new ATOM 0 HG11 VAL A 35 12.836 0.911 2.454 1.00 54.15 H new ATOM 0 HG12 VAL A 35 12.993 -0.110 1.005 1.00 54.15 H new ATOM 0 HG13 VAL A 35 12.422 1.569 0.853 1.00 54.15 H new ATOM 0 HG21 VAL A 35 10.602 1.481 3.344 1.00 53.21 H new ATOM 0 HG22 VAL A 35 10.096 2.161 1.779 1.00 53.21 H new ATOM 0 HG23 VAL A 35 9.133 0.874 2.543 1.00 53.21 H new ATOM 590 N TRP A 36 11.014 -2.423 -0.135 1.00 23.53 N ATOM 591 CA TRP A 36 11.793 -3.489 -0.755 1.00 52.35 C ATOM 592 C TRP A 36 11.552 -3.534 -2.260 1.00 10.24 C ATOM 593 O TRP A 36 12.391 -4.018 -3.018 1.00 25.33 O ATOM 594 CB TRP A 36 11.439 -4.838 -0.129 1.00 64.51 C ATOM 595 CG TRP A 36 12.208 -5.985 -0.714 1.00 42.13 C ATOM 596 CD1 TRP A 36 13.343 -6.553 -0.211 1.00 1.35 C ATOM 597 CD2 TRP A 36 11.898 -6.700 -1.915 1.00 33.42 C ATOM 598 NE1 TRP A 36 13.757 -7.578 -1.026 1.00 12.10 N ATOM 599 CE2 TRP A 36 12.886 -7.689 -2.078 1.00 23.22 C ATOM 600 CE3 TRP A 36 10.878 -6.603 -2.867 1.00 3.14 C ATOM 601 CZ2 TRP A 36 12.886 -8.572 -3.154 1.00 60.22 C ATOM 602 CZ3 TRP A 36 10.880 -7.480 -3.934 1.00 73.23 C ATOM 603 CH2 TRP A 36 11.877 -8.455 -4.071 1.00 74.34 C ATOM 0 H TRP A 36 10.309 -2.747 0.527 1.00 23.53 H new ATOM 0 HA TRP A 36 12.849 -3.282 -0.581 1.00 52.35 H new ATOM 0 HB2 TRP A 36 11.627 -4.793 0.944 1.00 64.51 H new ATOM 0 HB3 TRP A 36 10.372 -5.022 -0.258 1.00 64.51 H new ATOM 0 HD1 TRP A 36 13.842 -6.242 0.695 1.00 1.35 H new ATOM 0 HE1 TRP A 36 14.579 -8.162 -0.873 1.00 12.10 H new ATOM 0 HE3 TRP A 36 10.104 -5.857 -2.770 1.00 3.14 H new ATOM 0 HZ2 TRP A 36 13.655 -9.323 -3.261 1.00 60.22 H new ATOM 0 HZ3 TRP A 36 10.099 -7.413 -4.677 1.00 73.23 H new ATOM 0 HH2 TRP A 36 11.849 -9.127 -4.916 1.00 74.34 H new ATOM 614 N ALA A 37 10.400 -3.026 -2.686 1.00 31.10 N ATOM 615 CA ALA A 37 10.051 -3.006 -4.101 1.00 21.11 C ATOM 616 C ALA A 37 10.740 -1.852 -4.821 1.00 62.42 C ATOM 617 O ALA A 37 11.381 -2.046 -5.854 1.00 35.44 O ATOM 618 CB ALA A 37 8.542 -2.911 -4.271 1.00 0.14 C ATOM 0 H ALA A 37 9.693 -2.623 -2.071 1.00 31.10 H new ATOM 0 HA ALA A 37 10.398 -3.937 -4.548 1.00 21.11 H new ATOM 0 HB1 ALA A 37 8.296 -2.897 -5.333 1.00 0.14 H new ATOM 0 HB2 ALA A 37 8.068 -3.772 -3.800 1.00 0.14 H new ATOM 0 HB3 ALA A 37 8.180 -1.996 -3.802 1.00 0.14 H new ATOM 624 N ALA A 38 10.603 -0.651 -4.269 1.00 53.43 N ATOM 625 CA ALA A 38 11.214 0.534 -4.859 1.00 73.14 C ATOM 626 C ALA A 38 12.706 0.324 -5.093 1.00 50.43 C ATOM 627 O ALA A 38 13.265 0.816 -6.072 1.00 73.34 O ATOM 628 CB ALA A 38 10.982 1.745 -3.968 1.00 41.42 C ATOM 0 H ALA A 38 10.075 -0.473 -3.415 1.00 53.43 H new ATOM 0 HA ALA A 38 10.744 0.712 -5.826 1.00 73.14 H new ATOM 0 HB1 ALA A 38 11.443 2.623 -4.420 1.00 41.42 H new ATOM 0 HB2 ALA A 38 9.911 1.915 -3.856 1.00 41.42 H new ATOM 0 HB3 ALA A 38 11.425 1.566 -2.988 1.00 41.42 H new ATOM 634 N ASN A 39 13.345 -0.409 -4.186 1.00 54.44 N ATOM 635 CA ASN A 39 14.774 -0.682 -4.295 1.00 54.00 C ATOM 636 C ASN A 39 15.095 -1.380 -5.612 1.00 52.34 C ATOM 637 O ASN A 39 16.211 -1.283 -6.123 1.00 64.41 O ATOM 638 CB ASN A 39 15.238 -1.546 -3.120 1.00 4.10 C ATOM 639 CG ASN A 39 15.726 -0.715 -1.949 1.00 13.32 C ATOM 640 OD1 ASN A 39 16.647 0.091 -2.086 1.00 41.04 O ATOM 641 ND2 ASN A 39 15.109 -0.907 -0.790 1.00 11.04 N ATOM 0 H ASN A 39 12.897 -0.824 -3.369 1.00 54.44 H new ATOM 0 HA ASN A 39 15.305 0.270 -4.271 1.00 54.00 H new ATOM 0 HB2 ASN A 39 14.415 -2.182 -2.793 1.00 4.10 H new ATOM 0 HB3 ASN A 39 16.039 -2.207 -3.452 1.00 4.10 H new ATOM 0 HD21 ASN A 39 15.393 -0.376 0.033 1.00 11.04 H new ATOM 0 HD22 ASN A 39 14.350 -1.586 -0.722 1.00 11.04 H new ATOM 648 N LYS A 40 14.110 -2.083 -6.160 1.00 35.33 N ATOM 649 CA LYS A 40 14.286 -2.797 -7.419 1.00 53.52 C ATOM 650 C LYS A 40 14.189 -1.841 -8.604 1.00 71.31 C ATOM 651 O LYS A 40 15.022 -1.874 -9.510 1.00 64.01 O ATOM 652 CB LYS A 40 13.235 -3.901 -7.555 1.00 24.14 C ATOM 653 CG LYS A 40 13.817 -5.251 -7.937 1.00 42.33 C ATOM 654 CD LYS A 40 13.796 -6.220 -6.768 1.00 0.12 C ATOM 655 CE LYS A 40 15.038 -6.075 -5.901 1.00 11.31 C ATOM 656 NZ LYS A 40 14.920 -4.937 -4.948 1.00 34.32 N ATOM 0 H LYS A 40 13.180 -2.174 -5.751 1.00 35.33 H new ATOM 0 HA LYS A 40 15.279 -3.247 -7.417 1.00 53.52 H new ATOM 0 HB2 LYS A 40 12.700 -4.000 -6.611 1.00 24.14 H new ATOM 0 HB3 LYS A 40 12.504 -3.604 -8.307 1.00 24.14 H new ATOM 0 HG2 LYS A 40 13.250 -5.670 -8.768 1.00 42.33 H new ATOM 0 HG3 LYS A 40 14.842 -5.121 -8.284 1.00 42.33 H new ATOM 0 HD2 LYS A 40 12.906 -6.043 -6.163 1.00 0.12 H new ATOM 0 HD3 LYS A 40 13.729 -7.242 -7.142 1.00 0.12 H new ATOM 0 HE2 LYS A 40 15.203 -6.998 -5.345 1.00 11.31 H new ATOM 0 HE3 LYS A 40 15.910 -5.926 -6.538 1.00 11.31 H new ATOM 0 HZ1 LYS A 40 15.570 -4.177 -5.233 1.00 34.32 H new ATOM 0 HZ2 LYS A 40 13.944 -4.579 -4.954 1.00 34.32 H new ATOM 0 HZ3 LYS A 40 15.164 -5.260 -3.990 1.00 34.32 H new ATOM 670 N LEU A 41 13.169 -0.990 -8.590 1.00 21.33 N ATOM 671 CA LEU A 41 12.964 -0.023 -9.663 1.00 24.10 C ATOM 672 C LEU A 41 14.221 0.810 -9.892 1.00 4.31 C ATOM 673 O LEU A 41 14.428 1.355 -10.976 1.00 21.41 O ATOM 674 CB LEU A 41 11.784 0.892 -9.333 1.00 43.51 C ATOM 675 CG LEU A 41 10.434 0.202 -9.136 1.00 41.21 C ATOM 676 CD1 LEU A 41 9.453 1.137 -8.446 1.00 54.30 C ATOM 677 CD2 LEU A 41 9.876 -0.269 -10.471 1.00 12.42 C ATOM 0 H LEU A 41 12.471 -0.950 -7.847 1.00 21.33 H new ATOM 0 HA LEU A 41 12.744 -0.573 -10.578 1.00 24.10 H new ATOM 0 HB2 LEU A 41 12.022 1.446 -8.425 1.00 43.51 H new ATOM 0 HB3 LEU A 41 11.682 1.623 -10.135 1.00 43.51 H new ATOM 0 HG LEU A 41 10.582 -0.670 -8.499 1.00 41.21 H new ATOM 0 HD11 LEU A 41 8.498 0.629 -8.314 1.00 54.30 H new ATOM 0 HD12 LEU A 41 9.848 1.425 -7.472 1.00 54.30 H new ATOM 0 HD13 LEU A 41 9.309 2.028 -9.057 1.00 54.30 H new ATOM 0 HD21 LEU A 41 8.915 -0.758 -10.312 1.00 12.42 H new ATOM 0 HD22 LEU A 41 9.742 0.587 -11.132 1.00 12.42 H new ATOM 0 HD23 LEU A 41 10.571 -0.974 -10.927 1.00 12.42 H new ATOM 689 N ASP A 42 15.059 0.903 -8.865 1.00 33.43 N ATOM 690 CA ASP A 42 16.297 1.668 -8.954 1.00 61.44 C ATOM 691 C ASP A 42 17.335 0.924 -9.789 1.00 73.24 C ATOM 692 O ASP A 42 17.926 1.489 -10.709 1.00 64.01 O ATOM 693 CB ASP A 42 16.853 1.945 -7.556 1.00 34.41 C ATOM 694 CG ASP A 42 18.296 2.405 -7.588 1.00 41.32 C ATOM 695 OD1 ASP A 42 18.622 3.282 -8.417 1.00 72.34 O ATOM 696 OD2 ASP A 42 19.100 1.892 -6.784 1.00 24.24 O ATOM 0 H ASP A 42 14.903 0.458 -7.961 1.00 33.43 H new ATOM 0 HA ASP A 42 16.075 2.617 -9.442 1.00 61.44 H new ATOM 0 HB2 ASP A 42 16.243 2.706 -7.070 1.00 34.41 H new ATOM 0 HB3 ASP A 42 16.776 1.041 -6.952 1.00 34.41 H new ATOM 701 N ARG A 43 17.552 -0.346 -9.461 1.00 54.32 N ATOM 702 CA ARG A 43 18.519 -1.166 -10.179 1.00 24.11 C ATOM 703 C ARG A 43 18.296 -1.077 -11.686 1.00 25.23 C ATOM 704 O ARG A 43 19.224 -1.259 -12.473 1.00 61.14 O ATOM 705 CB ARG A 43 18.423 -2.623 -9.724 1.00 34.03 C ATOM 706 CG ARG A 43 19.746 -3.202 -9.248 1.00 42.44 C ATOM 707 CD ARG A 43 20.600 -3.672 -10.415 1.00 74.12 C ATOM 708 NE ARG A 43 21.878 -4.221 -9.972 1.00 2.24 N ATOM 709 CZ ARG A 43 22.630 -5.025 -10.715 1.00 32.23 C ATOM 710 NH1 ARG A 43 22.233 -5.374 -11.931 1.00 13.51 N ATOM 711 NH2 ARG A 43 23.782 -5.484 -10.241 1.00 73.21 N ATOM 0 H ARG A 43 17.071 -0.829 -8.702 1.00 54.32 H new ATOM 0 HA ARG A 43 19.516 -0.787 -9.954 1.00 24.11 H new ATOM 0 HB2 ARG A 43 17.693 -2.695 -8.917 1.00 34.03 H new ATOM 0 HB3 ARG A 43 18.047 -3.228 -10.549 1.00 34.03 H new ATOM 0 HG2 ARG A 43 20.290 -2.449 -8.678 1.00 42.44 H new ATOM 0 HG3 ARG A 43 19.557 -4.038 -8.574 1.00 42.44 H new ATOM 0 HD2 ARG A 43 20.057 -4.429 -10.980 1.00 74.12 H new ATOM 0 HD3 ARG A 43 20.779 -2.837 -11.092 1.00 74.12 H new ATOM 0 HE ARG A 43 22.212 -3.974 -9.041 1.00 2.24 H new ATOM 0 HH11 ARG A 43 21.348 -5.025 -12.298 1.00 13.51 H new ATOM 0 HH12 ARG A 43 22.813 -5.992 -12.499 1.00 13.51 H new ATOM 0 HH21 ARG A 43 24.090 -5.219 -9.305 1.00 73.21 H new ATOM 0 HH22 ARG A 43 24.359 -6.101 -10.812 1.00 73.21 H new ATOM 725 N PHE A 44 17.058 -0.797 -12.079 1.00 42.34 N ATOM 726 CA PHE A 44 16.712 -0.685 -13.492 1.00 52.31 C ATOM 727 C PHE A 44 16.713 0.774 -13.938 1.00 65.14 C ATOM 728 O PHE A 44 17.262 1.113 -14.986 1.00 43.13 O ATOM 729 CB PHE A 44 15.339 -1.308 -13.753 1.00 23.54 C ATOM 730 CG PHE A 44 15.279 -2.777 -13.441 1.00 13.14 C ATOM 731 CD1 PHE A 44 16.007 -3.688 -14.188 1.00 21.02 C ATOM 732 CD2 PHE A 44 14.494 -3.244 -12.399 1.00 21.33 C ATOM 733 CE1 PHE A 44 15.952 -5.039 -13.903 1.00 72.43 C ATOM 734 CE2 PHE A 44 14.435 -4.595 -12.109 1.00 63.20 C ATOM 735 CZ PHE A 44 15.166 -5.494 -12.861 1.00 41.45 C ATOM 0 H PHE A 44 16.278 -0.644 -11.440 1.00 42.34 H new ATOM 0 HA PHE A 44 17.464 -1.224 -14.068 1.00 52.31 H new ATOM 0 HB2 PHE A 44 14.592 -0.787 -13.154 1.00 23.54 H new ATOM 0 HB3 PHE A 44 15.072 -1.155 -14.799 1.00 23.54 H new ATOM 0 HD1 PHE A 44 16.625 -3.339 -15.002 1.00 21.02 H new ATOM 0 HD2 PHE A 44 13.922 -2.545 -11.807 1.00 21.33 H new ATOM 0 HE1 PHE A 44 16.523 -5.739 -14.494 1.00 72.43 H new ATOM 0 HE2 PHE A 44 13.818 -4.947 -11.295 1.00 63.20 H new ATOM 0 HZ PHE A 44 15.124 -6.549 -12.635 1.00 41.45 H new ATOM 745 N GLY A 45 16.095 1.634 -13.135 1.00 61.01 N ATOM 746 CA GLY A 45 16.035 3.046 -13.464 1.00 3.33 C ATOM 747 C GLY A 45 14.690 3.662 -13.134 1.00 41.21 C ATOM 748 O GLY A 45 14.621 4.761 -12.583 1.00 33.42 O ATOM 0 H GLY A 45 15.634 1.378 -12.262 1.00 61.01 H new ATOM 0 HA2 GLY A 45 16.817 3.576 -12.920 1.00 3.33 H new ATOM 0 HA3 GLY A 45 16.240 3.177 -14.526 1.00 3.33 H new ATOM 752 N LEU A 46 13.618 2.955 -13.473 1.00 60.24 N ATOM 753 CA LEU A 46 12.268 3.439 -13.212 1.00 54.32 C ATOM 754 C LEU A 46 12.195 4.147 -11.863 1.00 72.32 C ATOM 755 O LEU A 46 12.771 3.687 -10.877 1.00 74.02 O ATOM 756 CB LEU A 46 11.273 2.278 -13.245 1.00 72.14 C ATOM 757 CG LEU A 46 10.498 2.095 -14.551 1.00 24.50 C ATOM 758 CD1 LEU A 46 10.794 0.732 -15.159 1.00 41.45 C ATOM 759 CD2 LEU A 46 9.004 2.261 -14.313 1.00 41.02 C ATOM 0 H LEU A 46 13.658 2.044 -13.930 1.00 60.24 H new ATOM 0 HA LEU A 46 12.008 4.154 -13.992 1.00 54.32 H new ATOM 0 HB2 LEU A 46 11.814 1.356 -13.035 1.00 72.14 H new ATOM 0 HB3 LEU A 46 10.555 2.418 -12.437 1.00 72.14 H new ATOM 0 HG LEU A 46 10.821 2.863 -15.254 1.00 24.50 H new ATOM 0 HD11 LEU A 46 10.234 0.619 -16.088 1.00 41.45 H new ATOM 0 HD12 LEU A 46 11.861 0.650 -15.366 1.00 41.45 H new ATOM 0 HD13 LEU A 46 10.499 -0.050 -14.460 1.00 41.45 H new ATOM 0 HD21 LEU A 46 8.469 2.127 -15.253 1.00 41.02 H new ATOM 0 HD22 LEU A 46 8.665 1.516 -13.593 1.00 41.02 H new ATOM 0 HD23 LEU A 46 8.807 3.259 -13.922 1.00 41.02 H new ATOM 771 N ALA A 47 11.482 5.268 -11.827 1.00 12.14 N ATOM 772 CA ALA A 47 11.330 6.038 -10.597 1.00 73.25 C ATOM 773 C ALA A 47 10.410 5.324 -9.613 1.00 61.34 C ATOM 774 O ALA A 47 9.382 4.771 -10.001 1.00 31.43 O ATOM 775 CB ALA A 47 10.797 7.428 -10.908 1.00 44.54 C ATOM 0 H ALA A 47 11.001 5.664 -12.635 1.00 12.14 H new ATOM 0 HA ALA A 47 12.312 6.133 -10.133 1.00 73.25 H new ATOM 0 HB1 ALA A 47 10.688 7.992 -9.981 1.00 44.54 H new ATOM 0 HB2 ALA A 47 11.493 7.945 -11.568 1.00 44.54 H new ATOM 0 HB3 ALA A 47 9.827 7.344 -11.398 1.00 44.54 H new ATOM 781 N GLU A 48 10.787 5.341 -8.338 1.00 54.05 N ATOM 782 CA GLU A 48 9.995 4.694 -7.300 1.00 35.14 C ATOM 783 C GLU A 48 8.708 5.469 -7.034 1.00 3.23 C ATOM 784 O GLU A 48 7.707 4.900 -6.598 1.00 14.53 O ATOM 785 CB GLU A 48 10.807 4.573 -6.008 1.00 54.23 C ATOM 786 CG GLU A 48 11.439 5.881 -5.563 1.00 3.43 C ATOM 787 CD GLU A 48 12.004 5.808 -4.158 1.00 11.32 C ATOM 788 OE1 GLU A 48 11.212 5.872 -3.195 1.00 74.31 O ATOM 789 OE2 GLU A 48 13.240 5.686 -4.022 1.00 31.05 O ATOM 0 H GLU A 48 11.635 5.796 -8.000 1.00 54.05 H new ATOM 0 HA GLU A 48 9.732 3.696 -7.650 1.00 35.14 H new ATOM 0 HB2 GLU A 48 10.158 4.204 -5.214 1.00 54.23 H new ATOM 0 HB3 GLU A 48 11.591 3.830 -6.150 1.00 54.23 H new ATOM 0 HG2 GLU A 48 12.235 6.150 -6.257 1.00 3.43 H new ATOM 0 HG3 GLU A 48 10.693 6.675 -5.610 1.00 3.43 H new ATOM 796 N SER A 49 8.743 6.771 -7.298 1.00 23.10 N ATOM 797 CA SER A 49 7.582 7.627 -7.084 1.00 21.21 C ATOM 798 C SER A 49 6.423 7.205 -7.981 1.00 21.21 C ATOM 799 O SER A 49 5.285 7.636 -7.790 1.00 11.13 O ATOM 800 CB SER A 49 7.943 9.090 -7.352 1.00 62.52 C ATOM 801 OG SER A 49 9.347 9.280 -7.330 1.00 40.32 O ATOM 0 H SER A 49 9.563 7.257 -7.661 1.00 23.10 H new ATOM 0 HA SER A 49 7.271 7.522 -6.045 1.00 21.21 H new ATOM 0 HB2 SER A 49 7.547 9.394 -8.321 1.00 62.52 H new ATOM 0 HB3 SER A 49 7.475 9.727 -6.602 1.00 62.52 H new ATOM 0 HG SER A 49 9.552 10.222 -7.505 1.00 40.32 H new ATOM 807 N LEU A 50 6.720 6.357 -8.960 1.00 13.31 N ATOM 808 CA LEU A 50 5.703 5.875 -9.888 1.00 53.02 C ATOM 809 C LEU A 50 4.875 4.761 -9.258 1.00 35.30 C ATOM 810 O LEU A 50 3.959 4.223 -9.882 1.00 50.34 O ATOM 811 CB LEU A 50 6.357 5.372 -11.177 1.00 43.10 C ATOM 812 CG LEU A 50 7.018 6.437 -12.053 1.00 41.35 C ATOM 813 CD1 LEU A 50 7.931 5.789 -13.083 1.00 54.13 C ATOM 814 CD2 LEU A 50 5.964 7.294 -12.737 1.00 55.13 C ATOM 0 H LEU A 50 7.656 5.989 -9.131 1.00 13.31 H new ATOM 0 HA LEU A 50 5.040 6.707 -10.124 1.00 53.02 H new ATOM 0 HB2 LEU A 50 7.109 4.629 -10.913 1.00 43.10 H new ATOM 0 HB3 LEU A 50 5.599 4.861 -11.770 1.00 43.10 H new ATOM 0 HG LEU A 50 7.623 7.081 -11.415 1.00 41.35 H new ATOM 0 HD11 LEU A 50 8.393 6.562 -13.697 1.00 54.13 H new ATOM 0 HD12 LEU A 50 8.707 5.219 -12.573 1.00 54.13 H new ATOM 0 HD13 LEU A 50 7.348 5.121 -13.717 1.00 54.13 H new ATOM 0 HD21 LEU A 50 6.453 8.046 -13.356 1.00 55.13 H new ATOM 0 HD22 LEU A 50 5.332 6.663 -13.363 1.00 55.13 H new ATOM 0 HD23 LEU A 50 5.351 7.787 -11.983 1.00 55.13 H new ATOM 826 N LEU A 51 5.199 4.420 -8.016 1.00 21.41 N ATOM 827 CA LEU A 51 4.484 3.370 -7.298 1.00 40.32 C ATOM 828 C LEU A 51 3.168 3.897 -6.735 1.00 73.41 C ATOM 829 O LEU A 51 2.382 3.143 -6.161 1.00 4.14 O ATOM 830 CB LEU A 51 5.350 2.817 -6.166 1.00 64.31 C ATOM 831 CG LEU A 51 6.156 1.558 -6.491 1.00 2.23 C ATOM 832 CD1 LEU A 51 7.362 1.444 -5.572 1.00 22.21 C ATOM 833 CD2 LEU A 51 5.279 0.320 -6.378 1.00 74.52 C ATOM 0 H LEU A 51 5.953 4.855 -7.484 1.00 21.41 H new ATOM 0 HA LEU A 51 4.263 2.568 -8.002 1.00 40.32 H new ATOM 0 HB2 LEU A 51 6.043 3.597 -5.852 1.00 64.31 H new ATOM 0 HB3 LEU A 51 4.705 2.602 -5.314 1.00 64.31 H new ATOM 0 HG LEU A 51 6.513 1.634 -7.518 1.00 2.23 H new ATOM 0 HD11 LEU A 51 7.923 0.542 -5.818 1.00 22.21 H new ATOM 0 HD12 LEU A 51 8.002 2.317 -5.702 1.00 22.21 H new ATOM 0 HD13 LEU A 51 7.026 1.391 -4.536 1.00 22.21 H new ATOM 0 HD21 LEU A 51 5.869 -0.566 -6.613 1.00 74.52 H new ATOM 0 HD22 LEU A 51 4.892 0.240 -5.362 1.00 74.52 H new ATOM 0 HD23 LEU A 51 4.447 0.398 -7.078 1.00 74.52 H new ATOM 845 N GLU A 52 2.933 5.193 -6.906 1.00 54.31 N ATOM 846 CA GLU A 52 1.710 5.820 -6.415 1.00 71.52 C ATOM 847 C GLU A 52 0.864 6.342 -7.573 1.00 22.41 C ATOM 848 O GLU A 52 0.096 7.291 -7.416 1.00 43.20 O ATOM 849 CB GLU A 52 2.046 6.964 -5.457 1.00 50.33 C ATOM 850 CG GLU A 52 3.056 7.951 -6.019 1.00 63.21 C ATOM 851 CD GLU A 52 2.978 9.310 -5.352 1.00 20.44 C ATOM 852 OE1 GLU A 52 3.255 9.392 -4.136 1.00 74.13 O ATOM 853 OE2 GLU A 52 2.639 10.292 -6.044 1.00 51.14 O ATOM 0 H GLU A 52 3.572 5.830 -7.381 1.00 54.31 H new ATOM 0 HA GLU A 52 1.135 5.065 -5.879 1.00 71.52 H new ATOM 0 HB2 GLU A 52 1.129 7.498 -5.206 1.00 50.33 H new ATOM 0 HB3 GLU A 52 2.436 6.547 -4.529 1.00 50.33 H new ATOM 0 HG2 GLU A 52 4.061 7.547 -5.895 1.00 63.21 H new ATOM 0 HG3 GLU A 52 2.889 8.066 -7.090 1.00 63.21 H new ATOM 860 N SER A 53 1.011 5.714 -8.736 1.00 23.21 N ATOM 861 CA SER A 53 0.264 6.116 -9.921 1.00 42.32 C ATOM 862 C SER A 53 -0.185 4.897 -10.721 1.00 14.41 C ATOM 863 O SER A 53 0.623 4.038 -11.072 1.00 23.31 O ATOM 864 CB SER A 53 1.118 7.031 -10.801 1.00 42.14 C ATOM 865 OG SER A 53 0.810 6.851 -12.174 1.00 12.54 O ATOM 0 H SER A 53 1.641 4.925 -8.882 1.00 23.21 H new ATOM 0 HA SER A 53 -0.622 6.660 -9.594 1.00 42.32 H new ATOM 0 HB2 SER A 53 0.950 8.071 -10.521 1.00 42.14 H new ATOM 0 HB3 SER A 53 2.174 6.822 -10.631 1.00 42.14 H new ATOM 0 HG SER A 53 1.368 7.448 -12.715 1.00 12.54 H new ATOM 871 N LYS A 54 -1.481 4.829 -11.005 1.00 73.24 N ATOM 872 CA LYS A 54 -2.041 3.717 -11.764 1.00 40.43 C ATOM 873 C LYS A 54 -1.240 3.469 -13.038 1.00 0.01 C ATOM 874 O LYS A 54 -0.904 2.330 -13.358 1.00 75.32 O ATOM 875 CB LYS A 54 -3.504 3.997 -12.117 1.00 3.44 C ATOM 876 CG LYS A 54 -4.223 2.806 -12.725 1.00 2.34 C ATOM 877 CD LYS A 54 -5.709 2.830 -12.408 1.00 25.12 C ATOM 878 CE LYS A 54 -6.548 2.883 -13.675 1.00 33.02 C ATOM 879 NZ LYS A 54 -6.312 1.699 -14.547 1.00 74.12 N ATOM 0 H LYS A 54 -2.164 5.531 -10.721 1.00 73.24 H new ATOM 0 HA LYS A 54 -1.988 2.824 -11.142 1.00 40.43 H new ATOM 0 HB2 LYS A 54 -4.033 4.309 -11.216 1.00 3.44 H new ATOM 0 HB3 LYS A 54 -3.547 4.832 -12.816 1.00 3.44 H new ATOM 0 HG2 LYS A 54 -4.081 2.807 -13.806 1.00 2.34 H new ATOM 0 HG3 LYS A 54 -3.784 1.883 -12.346 1.00 2.34 H new ATOM 0 HD2 LYS A 54 -5.974 1.943 -11.832 1.00 25.12 H new ATOM 0 HD3 LYS A 54 -5.935 3.695 -11.784 1.00 25.12 H new ATOM 0 HE2 LYS A 54 -7.604 2.934 -13.409 1.00 33.02 H new ATOM 0 HE3 LYS A 54 -6.314 3.793 -14.227 1.00 33.02 H new ATOM 0 HZ1 LYS A 54 -7.165 1.506 -15.109 1.00 74.12 H new ATOM 0 HZ2 LYS A 54 -5.513 1.891 -15.185 1.00 74.12 H new ATOM 0 HZ3 LYS A 54 -6.092 0.871 -13.957 1.00 74.12 H new ATOM 893 N GLU A 55 -0.936 4.544 -13.759 1.00 25.52 N ATOM 894 CA GLU A 55 -0.172 4.441 -14.997 1.00 52.41 C ATOM 895 C GLU A 55 1.278 4.061 -14.712 1.00 50.13 C ATOM 896 O GLU A 55 1.910 3.353 -15.495 1.00 23.12 O ATOM 897 CB GLU A 55 -0.222 5.765 -15.765 1.00 30.43 C ATOM 898 CG GLU A 55 -0.473 5.595 -17.253 1.00 50.22 C ATOM 899 CD GLU A 55 0.798 5.318 -18.032 1.00 42.21 C ATOM 900 OE1 GLU A 55 1.828 5.960 -17.735 1.00 33.34 O ATOM 901 OE2 GLU A 55 0.764 4.460 -18.938 1.00 2.40 O ATOM 0 H GLU A 55 -1.207 5.495 -13.508 1.00 25.52 H new ATOM 0 HA GLU A 55 -0.622 3.658 -15.607 1.00 52.41 H new ATOM 0 HB2 GLU A 55 -1.007 6.392 -15.342 1.00 30.43 H new ATOM 0 HB3 GLU A 55 0.720 6.294 -15.622 1.00 30.43 H new ATOM 0 HG2 GLU A 55 -1.175 4.776 -17.408 1.00 50.22 H new ATOM 0 HG3 GLU A 55 -0.944 6.497 -17.643 1.00 50.22 H new ATOM 908 N GLY A 56 1.799 4.538 -13.586 1.00 21.12 N ATOM 909 CA GLY A 56 3.170 4.238 -13.217 1.00 43.14 C ATOM 910 C GLY A 56 3.378 2.771 -12.897 1.00 32.22 C ATOM 911 O GLY A 56 4.358 2.166 -13.333 1.00 34.13 O ATOM 0 H GLY A 56 1.296 5.127 -12.922 1.00 21.12 H new ATOM 0 HA2 GLY A 56 3.834 4.526 -14.032 1.00 43.14 H new ATOM 0 HA3 GLY A 56 3.449 4.838 -12.351 1.00 43.14 H new ATOM 915 N CYS A 57 2.454 2.198 -12.132 1.00 2.53 N ATOM 916 CA CYS A 57 2.542 0.793 -11.750 1.00 0.42 C ATOM 917 C CYS A 57 2.294 -0.112 -12.952 1.00 21.13 C ATOM 918 O CYS A 57 2.836 -1.214 -13.031 1.00 75.34 O ATOM 919 CB CYS A 57 1.533 0.481 -10.644 1.00 64.50 C ATOM 920 SG CYS A 57 2.243 0.467 -8.980 1.00 51.00 S ATOM 0 H CYS A 57 1.636 2.685 -11.765 1.00 2.53 H new ATOM 0 HA CYS A 57 3.549 0.604 -11.377 1.00 0.42 H new ATOM 0 HB2 CYS A 57 0.731 1.219 -10.679 1.00 64.50 H new ATOM 0 HB3 CYS A 57 1.081 -0.491 -10.843 1.00 64.50 H new ATOM 0 HG CYS A 57 1.809 1.496 -8.314 1.00 51.00 H new ATOM 926 N GLN A 58 1.472 0.359 -13.883 1.00 14.52 N ATOM 927 CA GLN A 58 1.150 -0.409 -15.079 1.00 62.21 C ATOM 928 C GLN A 58 2.390 -0.611 -15.945 1.00 42.11 C ATOM 929 O GLN A 58 2.577 -1.671 -16.543 1.00 73.14 O ATOM 930 CB GLN A 58 0.059 0.296 -15.887 1.00 20.44 C ATOM 931 CG GLN A 58 -0.723 -0.638 -16.797 1.00 31.32 C ATOM 932 CD GLN A 58 -0.430 -0.402 -18.265 1.00 72.32 C ATOM 933 OE1 GLN A 58 0.632 -0.773 -18.766 1.00 63.03 O ATOM 934 NE2 GLN A 58 -1.372 0.219 -18.965 1.00 55.12 N ATOM 0 H GLN A 58 1.016 1.270 -13.832 1.00 14.52 H new ATOM 0 HA GLN A 58 0.784 -1.386 -14.765 1.00 62.21 H new ATOM 0 HB2 GLN A 58 -0.633 0.784 -15.200 1.00 20.44 H new ATOM 0 HB3 GLN A 58 0.515 1.081 -16.491 1.00 20.44 H new ATOM 0 HG2 GLN A 58 -0.483 -1.671 -16.544 1.00 31.32 H new ATOM 0 HG3 GLN A 58 -1.790 -0.505 -16.617 1.00 31.32 H new ATOM 0 HE21 GLN A 58 -2.237 0.509 -18.510 1.00 55.12 H new ATOM 0 HE22 GLN A 58 -1.230 0.406 -19.958 1.00 55.12 H new ATOM 943 N LYS A 59 3.235 0.413 -16.008 1.00 35.10 N ATOM 944 CA LYS A 59 4.458 0.349 -16.801 1.00 35.22 C ATOM 945 C LYS A 59 5.518 -0.492 -16.096 1.00 54.15 C ATOM 946 O LYS A 59 6.545 -0.832 -16.685 1.00 52.24 O ATOM 947 CB LYS A 59 4.996 1.757 -17.058 1.00 52.24 C ATOM 948 CG LYS A 59 6.084 1.807 -18.116 1.00 45.04 C ATOM 949 CD LYS A 59 6.231 3.202 -18.702 1.00 13.55 C ATOM 950 CE LYS A 59 7.682 3.656 -18.704 1.00 0.43 C ATOM 951 NZ LYS A 59 7.982 4.562 -17.561 1.00 11.43 N ATOM 0 H LYS A 59 3.095 1.297 -15.519 1.00 35.10 H new ATOM 0 HA LYS A 59 4.221 -0.122 -17.755 1.00 35.22 H new ATOM 0 HB2 LYS A 59 4.172 2.402 -17.365 1.00 52.24 H new ATOM 0 HB3 LYS A 59 5.388 2.163 -16.126 1.00 52.24 H new ATOM 0 HG2 LYS A 59 7.032 1.494 -17.679 1.00 45.04 H new ATOM 0 HG3 LYS A 59 5.851 1.100 -18.912 1.00 45.04 H new ATOM 0 HD2 LYS A 59 5.844 3.212 -19.721 1.00 13.55 H new ATOM 0 HD3 LYS A 59 5.630 3.905 -18.126 1.00 13.55 H new ATOM 0 HE2 LYS A 59 8.335 2.785 -18.658 1.00 0.43 H new ATOM 0 HE3 LYS A 59 7.901 4.169 -19.641 1.00 0.43 H new ATOM 0 HZ1 LYS A 59 8.981 4.849 -17.598 1.00 11.43 H new ATOM 0 HZ2 LYS A 59 7.377 5.406 -17.619 1.00 11.43 H new ATOM 0 HZ3 LYS A 59 7.798 4.065 -16.666 1.00 11.43 H new ATOM 965 N ILE A 60 5.261 -0.825 -14.836 1.00 64.32 N ATOM 966 CA ILE A 60 6.194 -1.628 -14.054 1.00 51.40 C ATOM 967 C ILE A 60 5.861 -3.112 -14.157 1.00 2.11 C ATOM 968 O ILE A 60 6.746 -3.947 -14.346 1.00 3.30 O ATOM 969 CB ILE A 60 6.187 -1.213 -12.571 1.00 3.23 C ATOM 970 CG1 ILE A 60 6.625 0.246 -12.425 1.00 33.15 C ATOM 971 CG2 ILE A 60 7.094 -2.128 -11.761 1.00 43.34 C ATOM 972 CD1 ILE A 60 6.170 0.886 -11.132 1.00 41.41 C ATOM 0 H ILE A 60 4.416 -0.552 -14.335 1.00 64.32 H new ATOM 0 HA ILE A 60 7.187 -1.451 -14.467 1.00 51.40 H new ATOM 0 HB ILE A 60 5.171 -1.308 -12.187 1.00 3.23 H new ATOM 0 HG12 ILE A 60 7.712 0.298 -12.484 1.00 33.15 H new ATOM 0 HG13 ILE A 60 6.232 0.821 -13.264 1.00 33.15 H new ATOM 0 HG21 ILE A 60 7.079 -1.822 -10.715 1.00 43.34 H new ATOM 0 HG22 ILE A 60 6.741 -3.156 -11.844 1.00 43.34 H new ATOM 0 HG23 ILE A 60 8.113 -2.062 -12.143 1.00 43.34 H new ATOM 0 HD11 ILE A 60 6.516 1.919 -11.096 1.00 41.41 H new ATOM 0 HD12 ILE A 60 5.081 0.866 -11.079 1.00 41.41 H new ATOM 0 HD13 ILE A 60 6.585 0.335 -10.288 1.00 41.41 H new ATOM 984 N LEU A 61 4.578 -3.435 -14.034 1.00 32.25 N ATOM 985 CA LEU A 61 4.126 -4.820 -14.114 1.00 64.12 C ATOM 986 C LEU A 61 4.357 -5.387 -15.510 1.00 44.15 C ATOM 987 O LEU A 61 4.440 -6.603 -15.694 1.00 44.43 O ATOM 988 CB LEU A 61 2.643 -4.915 -13.751 1.00 62.15 C ATOM 989 CG LEU A 61 2.304 -4.768 -12.268 1.00 5.41 C ATOM 990 CD1 LEU A 61 0.800 -4.833 -12.055 1.00 2.15 C ATOM 991 CD2 LEU A 61 3.007 -5.841 -11.450 1.00 45.11 C ATOM 0 H LEU A 61 3.832 -2.757 -13.878 1.00 32.25 H new ATOM 0 HA LEU A 61 4.706 -5.408 -13.402 1.00 64.12 H new ATOM 0 HB2 LEU A 61 2.104 -4.146 -14.304 1.00 62.15 H new ATOM 0 HB3 LEU A 61 2.266 -5.878 -14.095 1.00 62.15 H new ATOM 0 HG LEU A 61 2.656 -3.793 -11.930 1.00 5.41 H new ATOM 0 HD11 LEU A 61 0.578 -4.727 -10.993 1.00 2.15 H new ATOM 0 HD12 LEU A 61 0.319 -4.027 -12.609 1.00 2.15 H new ATOM 0 HD13 LEU A 61 0.423 -5.792 -12.410 1.00 2.15 H new ATOM 0 HD21 LEU A 61 2.754 -5.720 -10.397 1.00 45.11 H new ATOM 0 HD22 LEU A 61 2.686 -6.826 -11.790 1.00 45.11 H new ATOM 0 HD23 LEU A 61 4.086 -5.747 -11.577 1.00 45.11 H new ATOM 1003 N THR A 62 4.463 -4.499 -16.495 1.00 21.40 N ATOM 1004 CA THR A 62 4.686 -4.912 -17.875 1.00 14.33 C ATOM 1005 C THR A 62 6.123 -5.374 -18.086 1.00 30.13 C ATOM 1006 O THR A 62 6.382 -6.289 -18.868 1.00 5.25 O ATOM 1007 CB THR A 62 4.378 -3.767 -18.859 1.00 3.40 C ATOM 1008 OG1 THR A 62 4.231 -4.287 -20.185 1.00 64.20 O ATOM 1009 CG2 THR A 62 5.484 -2.723 -18.838 1.00 64.33 C ATOM 0 H THR A 62 4.398 -3.490 -16.362 1.00 21.40 H new ATOM 0 HA THR A 62 4.008 -5.743 -18.070 1.00 14.33 H new ATOM 0 HB THR A 62 3.447 -3.293 -18.550 1.00 3.40 H new ATOM 0 HG1 THR A 62 4.034 -3.553 -20.804 1.00 64.20 H new ATOM 0 HG21 THR A 62 5.244 -1.925 -19.541 1.00 64.33 H new ATOM 0 HG22 THR A 62 5.574 -2.308 -17.834 1.00 64.33 H new ATOM 0 HG23 THR A 62 6.428 -3.187 -19.124 1.00 64.33 H new ATOM 1017 N VAL A 63 7.054 -4.738 -17.381 1.00 62.03 N ATOM 1018 CA VAL A 63 8.465 -5.087 -17.490 1.00 62.14 C ATOM 1019 C VAL A 63 8.795 -6.312 -16.645 1.00 71.44 C ATOM 1020 O VAL A 63 9.743 -7.043 -16.936 1.00 70.12 O ATOM 1021 CB VAL A 63 9.367 -3.918 -17.053 1.00 51.40 C ATOM 1022 CG1 VAL A 63 10.829 -4.338 -17.066 1.00 0.31 C ATOM 1023 CG2 VAL A 63 9.143 -2.708 -17.948 1.00 73.21 C ATOM 0 H VAL A 63 6.856 -3.979 -16.729 1.00 62.03 H new ATOM 0 HA VAL A 63 8.656 -5.311 -18.540 1.00 62.14 H new ATOM 0 HB VAL A 63 9.103 -3.640 -16.033 1.00 51.40 H new ATOM 0 HG11 VAL A 63 11.451 -3.499 -16.754 1.00 0.31 H new ATOM 0 HG12 VAL A 63 10.974 -5.172 -16.379 1.00 0.31 H new ATOM 0 HG13 VAL A 63 11.111 -4.644 -18.073 1.00 0.31 H new ATOM 0 HG21 VAL A 63 9.789 -1.892 -17.624 1.00 73.21 H new ATOM 0 HG22 VAL A 63 9.378 -2.970 -18.980 1.00 73.21 H new ATOM 0 HG23 VAL A 63 8.101 -2.395 -17.882 1.00 73.21 H new ATOM 1033 N LEU A 64 8.007 -6.532 -15.599 1.00 72.41 N ATOM 1034 CA LEU A 64 8.214 -7.672 -14.711 1.00 3.50 C ATOM 1035 C LEU A 64 7.332 -8.846 -15.118 1.00 32.52 C ATOM 1036 O LEU A 64 7.558 -9.981 -14.697 1.00 62.14 O ATOM 1037 CB LEU A 64 7.920 -7.274 -13.263 1.00 73.52 C ATOM 1038 CG LEU A 64 8.686 -6.063 -12.730 1.00 43.32 C ATOM 1039 CD1 LEU A 64 7.912 -5.394 -11.606 1.00 30.13 C ATOM 1040 CD2 LEU A 64 10.071 -6.475 -12.254 1.00 63.04 C ATOM 0 H LEU A 64 7.219 -5.937 -15.344 1.00 72.41 H new ATOM 0 HA LEU A 64 9.256 -7.981 -14.792 1.00 3.50 H new ATOM 0 HB2 LEU A 64 6.853 -7.072 -13.173 1.00 73.52 H new ATOM 0 HB3 LEU A 64 8.138 -8.128 -12.621 1.00 73.52 H new ATOM 0 HG LEU A 64 8.801 -5.345 -13.542 1.00 43.32 H new ATOM 0 HD11 LEU A 64 8.473 -4.534 -11.239 1.00 30.13 H new ATOM 0 HD12 LEU A 64 6.943 -5.063 -11.979 1.00 30.13 H new ATOM 0 HD13 LEU A 64 7.765 -6.105 -10.793 1.00 30.13 H new ATOM 0 HD21 LEU A 64 10.602 -5.600 -11.878 1.00 63.04 H new ATOM 0 HD22 LEU A 64 9.977 -7.213 -11.457 1.00 63.04 H new ATOM 0 HD23 LEU A 64 10.628 -6.908 -13.085 1.00 63.04 H new ATOM 1052 N ASP A 65 6.325 -8.567 -15.939 1.00 62.41 N ATOM 1053 CA ASP A 65 5.410 -9.603 -16.405 1.00 50.53 C ATOM 1054 C ASP A 65 6.166 -10.708 -17.137 1.00 52.50 C ATOM 1055 O ASP A 65 6.167 -11.868 -16.728 1.00 35.42 O ATOM 1056 CB ASP A 65 4.349 -8.998 -17.326 1.00 54.45 C ATOM 1057 CG ASP A 65 2.965 -9.022 -16.709 1.00 34.12 C ATOM 1058 OD1 ASP A 65 2.471 -10.128 -16.403 1.00 44.24 O ATOM 1059 OD2 ASP A 65 2.374 -7.936 -16.532 1.00 73.43 O ATOM 0 H ASP A 65 6.122 -7.633 -16.295 1.00 62.41 H new ATOM 0 HA ASP A 65 4.920 -10.039 -15.534 1.00 50.53 H new ATOM 0 HB2 ASP A 65 4.621 -7.969 -17.562 1.00 54.45 H new ATOM 0 HB3 ASP A 65 4.333 -9.547 -18.267 1.00 54.45 H new ATOM 1064 N PRO A 66 6.823 -10.340 -18.246 1.00 43.14 N ATOM 1065 CA PRO A 66 7.596 -11.285 -19.059 1.00 33.43 C ATOM 1066 C PRO A 66 8.858 -11.763 -18.350 1.00 50.13 C ATOM 1067 O PRO A 66 9.479 -12.742 -18.761 1.00 61.44 O ATOM 1068 CB PRO A 66 7.956 -10.471 -20.304 1.00 21.21 C ATOM 1069 CG PRO A 66 7.935 -9.053 -19.848 1.00 12.00 C ATOM 1070 CD PRO A 66 6.866 -8.973 -18.793 1.00 31.11 C ATOM 0 HA PRO A 66 7.032 -12.192 -19.276 1.00 33.43 H new ATOM 0 HB2 PRO A 66 8.937 -10.749 -20.689 1.00 21.21 H new ATOM 0 HB3 PRO A 66 7.239 -10.639 -21.108 1.00 21.21 H new ATOM 0 HG2 PRO A 66 8.904 -8.758 -19.445 1.00 12.00 H new ATOM 0 HG3 PRO A 66 7.716 -8.380 -20.677 1.00 12.00 H new ATOM 0 HD2 PRO A 66 7.114 -8.240 -18.025 1.00 31.11 H new ATOM 0 HD3 PRO A 66 5.905 -8.679 -19.216 1.00 31.11 H new ATOM 1078 N MET A 67 9.231 -11.066 -17.283 1.00 1.44 N ATOM 1079 CA MET A 67 10.420 -11.421 -16.516 1.00 3.51 C ATOM 1080 C MET A 67 10.049 -12.250 -15.291 1.00 11.31 C ATOM 1081 O MET A 67 10.920 -12.695 -14.543 1.00 52.42 O ATOM 1082 CB MET A 67 11.170 -10.159 -16.083 1.00 71.21 C ATOM 1083 CG MET A 67 12.092 -9.603 -17.156 1.00 4.34 C ATOM 1084 SD MET A 67 12.865 -8.048 -16.669 1.00 24.02 S ATOM 1085 CE MET A 67 12.883 -7.175 -18.232 1.00 50.33 C ATOM 0 H MET A 67 8.728 -10.252 -16.929 1.00 1.44 H new ATOM 0 HA MET A 67 11.069 -12.019 -17.156 1.00 3.51 H new ATOM 0 HB2 MET A 67 10.446 -9.393 -15.805 1.00 71.21 H new ATOM 0 HB3 MET A 67 11.756 -10.382 -15.192 1.00 71.21 H new ATOM 0 HG2 MET A 67 12.868 -10.336 -17.379 1.00 4.34 H new ATOM 0 HG3 MET A 67 11.524 -9.450 -18.074 1.00 4.34 H new ATOM 0 HE1 MET A 67 13.333 -6.192 -18.094 1.00 50.33 H new ATOM 0 HE2 MET A 67 13.465 -7.742 -18.959 1.00 50.33 H new ATOM 0 HE3 MET A 67 11.862 -7.059 -18.596 1.00 50.33 H new ATOM 1095 N VAL A 68 8.751 -12.455 -15.091 1.00 40.02 N ATOM 1096 CA VAL A 68 8.265 -13.232 -13.958 1.00 1.23 C ATOM 1097 C VAL A 68 8.937 -14.599 -13.899 1.00 51.15 C ATOM 1098 O VAL A 68 9.604 -14.950 -12.926 1.00 35.30 O ATOM 1099 CB VAL A 68 6.738 -13.425 -14.022 1.00 72.01 C ATOM 1100 CG1 VAL A 68 6.332 -14.714 -13.325 1.00 1.32 C ATOM 1101 CG2 VAL A 68 6.023 -12.230 -13.410 1.00 5.23 C ATOM 0 H VAL A 68 8.017 -12.093 -15.700 1.00 40.02 H new ATOM 0 HA VAL A 68 8.515 -12.669 -13.059 1.00 1.23 H new ATOM 0 HB VAL A 68 6.443 -13.498 -15.069 1.00 72.01 H new ATOM 0 HG11 VAL A 68 5.250 -14.833 -13.381 1.00 1.32 H new ATOM 0 HG12 VAL A 68 6.815 -15.560 -13.814 1.00 1.32 H new ATOM 0 HG13 VAL A 68 6.639 -14.675 -12.280 1.00 1.32 H new ATOM 0 HG21 VAL A 68 4.945 -12.384 -13.464 1.00 5.23 H new ATOM 0 HG22 VAL A 68 6.322 -12.122 -12.367 1.00 5.23 H new ATOM 0 HG23 VAL A 68 6.288 -11.327 -13.959 1.00 5.23 H new ATOM 1111 N PRO A 69 8.760 -15.391 -14.968 1.00 11.12 N ATOM 1112 CA PRO A 69 9.343 -16.732 -15.063 1.00 71.24 C ATOM 1113 C PRO A 69 10.860 -16.696 -15.219 1.00 34.21 C ATOM 1114 O PRO A 69 11.583 -17.399 -14.513 1.00 4.31 O ATOM 1115 CB PRO A 69 8.690 -17.313 -16.320 1.00 63.30 C ATOM 1116 CG PRO A 69 8.325 -16.125 -17.142 1.00 24.54 C ATOM 1117 CD PRO A 69 7.978 -15.037 -16.164 1.00 2.40 C ATOM 0 HA PRO A 69 9.164 -17.319 -14.162 1.00 71.24 H new ATOM 0 HB2 PRO A 69 9.376 -17.969 -16.855 1.00 63.30 H new ATOM 0 HB3 PRO A 69 7.811 -17.907 -16.071 1.00 63.30 H new ATOM 0 HG2 PRO A 69 9.154 -15.824 -17.783 1.00 24.54 H new ATOM 0 HG3 PRO A 69 7.481 -16.347 -17.795 1.00 24.54 H new ATOM 0 HD2 PRO A 69 8.250 -14.053 -16.545 1.00 2.40 H new ATOM 0 HD3 PRO A 69 6.909 -15.013 -15.952 1.00 2.40 H new ATOM 1125 N THR A 70 11.335 -15.873 -16.148 1.00 3.12 N ATOM 1126 CA THR A 70 12.765 -15.746 -16.396 1.00 40.00 C ATOM 1127 C THR A 70 13.406 -14.758 -15.428 1.00 33.01 C ATOM 1128 O THR A 70 14.394 -14.104 -15.756 1.00 40.25 O ATOM 1129 CB THR A 70 13.046 -15.287 -17.840 1.00 11.10 C ATOM 1130 OG1 THR A 70 11.846 -15.354 -18.618 1.00 21.42 O ATOM 1131 CG2 THR A 70 14.121 -16.150 -18.483 1.00 0.44 C ATOM 0 H THR A 70 10.750 -15.284 -16.741 1.00 3.12 H new ATOM 0 HA THR A 70 13.201 -16.734 -16.244 1.00 40.00 H new ATOM 0 HB THR A 70 13.400 -14.257 -17.807 1.00 11.10 H new ATOM 0 HG1 THR A 70 12.033 -15.059 -19.534 1.00 21.42 H new ATOM 0 HG21 THR A 70 14.302 -15.807 -19.502 1.00 0.44 H new ATOM 0 HG22 THR A 70 15.042 -16.074 -17.905 1.00 0.44 H new ATOM 0 HG23 THR A 70 13.790 -17.188 -18.503 1.00 0.44 H new ATOM 1139 N GLY A 71 12.837 -14.656 -14.231 1.00 35.32 N ATOM 1140 CA GLY A 71 13.366 -13.746 -13.232 1.00 32.11 C ATOM 1141 C GLY A 71 13.572 -14.416 -11.888 1.00 71.22 C ATOM 1142 O GLY A 71 12.677 -15.092 -11.381 1.00 30.21 O ATOM 0 H GLY A 71 12.018 -15.188 -13.935 1.00 35.32 H new ATOM 0 HA2 GLY A 71 14.315 -13.340 -13.581 1.00 32.11 H new ATOM 0 HA3 GLY A 71 12.683 -12.904 -13.114 1.00 32.11 H new ATOM 1146 N SER A 72 14.754 -14.229 -11.310 1.00 51.31 N ATOM 1147 CA SER A 72 15.077 -14.825 -10.019 1.00 14.12 C ATOM 1148 C SER A 72 13.999 -14.502 -8.988 1.00 4.14 C ATOM 1149 O SER A 72 13.122 -13.674 -9.229 1.00 72.43 O ATOM 1150 CB SER A 72 16.436 -14.325 -9.528 1.00 11.00 C ATOM 1151 OG SER A 72 16.287 -13.227 -8.645 1.00 51.03 O ATOM 0 H SER A 72 15.504 -13.669 -11.715 1.00 51.31 H new ATOM 0 HA SER A 72 15.122 -15.907 -10.146 1.00 14.12 H new ATOM 0 HB2 SER A 72 16.963 -15.134 -9.022 1.00 11.00 H new ATOM 0 HB3 SER A 72 17.048 -14.030 -10.380 1.00 11.00 H new ATOM 0 HG SER A 72 17.170 -12.927 -8.344 1.00 51.03 H new ATOM 1157 N GLU A 73 14.075 -15.162 -7.836 1.00 1.13 N ATOM 1158 CA GLU A 73 13.107 -14.946 -6.768 1.00 10.41 C ATOM 1159 C GLU A 73 13.054 -13.473 -6.371 1.00 73.34 C ATOM 1160 O GLU A 73 12.019 -12.975 -5.931 1.00 55.13 O ATOM 1161 CB GLU A 73 13.460 -15.801 -5.548 1.00 51.31 C ATOM 1162 CG GLU A 73 14.859 -15.550 -5.013 1.00 62.24 C ATOM 1163 CD GLU A 73 15.100 -16.218 -3.674 1.00 1.14 C ATOM 1164 OE1 GLU A 73 14.163 -16.252 -2.850 1.00 21.41 O ATOM 1165 OE2 GLU A 73 16.228 -16.706 -3.450 1.00 31.53 O ATOM 0 H GLU A 73 14.796 -15.850 -7.619 1.00 1.13 H new ATOM 0 HA GLU A 73 12.125 -15.241 -7.138 1.00 10.41 H new ATOM 0 HB2 GLU A 73 12.737 -15.605 -4.756 1.00 51.31 H new ATOM 0 HB3 GLU A 73 13.365 -16.854 -5.813 1.00 51.31 H new ATOM 0 HG2 GLU A 73 15.590 -15.915 -5.734 1.00 62.24 H new ATOM 0 HG3 GLU A 73 15.019 -14.476 -4.913 1.00 62.24 H new ATOM 1172 N ASN A 74 14.178 -12.783 -6.531 1.00 1.20 N ATOM 1173 CA ASN A 74 14.260 -11.367 -6.189 1.00 64.31 C ATOM 1174 C ASN A 74 13.433 -10.525 -7.155 1.00 54.14 C ATOM 1175 O ASN A 74 13.053 -9.396 -6.843 1.00 43.31 O ATOM 1176 CB ASN A 74 15.717 -10.901 -6.207 1.00 64.12 C ATOM 1177 CG ASN A 74 16.471 -11.308 -4.955 1.00 33.21 C ATOM 1178 OD1 ASN A 74 17.148 -12.336 -4.932 1.00 50.34 O ATOM 1179 ND2 ASN A 74 16.354 -10.503 -3.907 1.00 15.14 N ATOM 0 H ASN A 74 15.044 -13.180 -6.895 1.00 1.20 H new ATOM 0 HA ASN A 74 13.856 -11.237 -5.185 1.00 64.31 H new ATOM 0 HB2 ASN A 74 16.218 -11.318 -7.081 1.00 64.12 H new ATOM 0 HB3 ASN A 74 15.747 -9.816 -6.309 1.00 64.12 H new ATOM 0 HD21 ASN A 74 16.836 -10.726 -3.036 1.00 15.14 H new ATOM 0 HD22 ASN A 74 15.782 -9.661 -3.972 1.00 15.14 H new ATOM 1186 N LEU A 75 13.156 -11.082 -8.330 1.00 24.14 N ATOM 1187 CA LEU A 75 12.374 -10.383 -9.342 1.00 71.04 C ATOM 1188 C LEU A 75 10.890 -10.707 -9.203 1.00 10.30 C ATOM 1189 O LEU A 75 10.058 -9.811 -9.063 1.00 51.01 O ATOM 1190 CB LEU A 75 12.860 -10.762 -10.742 1.00 43.35 C ATOM 1191 CG LEU A 75 12.188 -10.033 -11.907 1.00 24.12 C ATOM 1192 CD1 LEU A 75 13.162 -9.860 -13.061 1.00 74.14 C ATOM 1193 CD2 LEU A 75 10.946 -10.786 -12.361 1.00 0.42 C ATOM 0 H LEU A 75 13.462 -12.016 -8.604 1.00 24.14 H new ATOM 0 HA LEU A 75 12.509 -9.312 -9.194 1.00 71.04 H new ATOM 0 HB2 LEU A 75 13.933 -10.577 -10.795 1.00 43.35 H new ATOM 0 HB3 LEU A 75 12.714 -11.834 -10.878 1.00 43.35 H new ATOM 0 HG LEU A 75 11.884 -9.044 -11.565 1.00 24.12 H new ATOM 0 HD11 LEU A 75 12.666 -9.340 -13.881 1.00 74.14 H new ATOM 0 HD12 LEU A 75 14.021 -9.278 -12.728 1.00 74.14 H new ATOM 0 HD13 LEU A 75 13.498 -10.839 -13.403 1.00 74.14 H new ATOM 0 HD21 LEU A 75 10.480 -10.253 -13.190 1.00 0.42 H new ATOM 0 HD22 LEU A 75 11.226 -11.788 -12.685 1.00 0.42 H new ATOM 0 HD23 LEU A 75 10.240 -10.856 -11.533 1.00 0.42 H new ATOM 1205 N LYS A 76 10.565 -11.995 -9.239 1.00 35.40 N ATOM 1206 CA LYS A 76 9.182 -12.439 -9.113 1.00 13.11 C ATOM 1207 C LYS A 76 8.525 -11.830 -7.879 1.00 34.04 C ATOM 1208 O LYS A 76 7.333 -11.522 -7.886 1.00 31.31 O ATOM 1209 CB LYS A 76 9.120 -13.966 -9.036 1.00 13.02 C ATOM 1210 CG LYS A 76 8.009 -14.574 -9.876 1.00 23.10 C ATOM 1211 CD LYS A 76 7.422 -15.809 -9.214 1.00 53.31 C ATOM 1212 CE LYS A 76 8.353 -17.005 -9.338 1.00 51.03 C ATOM 1213 NZ LYS A 76 8.947 -17.383 -8.026 1.00 64.11 N ATOM 0 H LYS A 76 11.241 -12.750 -9.354 1.00 35.40 H new ATOM 0 HA LYS A 76 8.637 -12.103 -9.995 1.00 13.11 H new ATOM 0 HB2 LYS A 76 10.076 -14.377 -9.361 1.00 13.02 H new ATOM 0 HB3 LYS A 76 8.982 -14.264 -7.996 1.00 13.02 H new ATOM 0 HG2 LYS A 76 7.223 -13.835 -10.031 1.00 23.10 H new ATOM 0 HG3 LYS A 76 8.398 -14.837 -10.860 1.00 23.10 H new ATOM 0 HD2 LYS A 76 7.232 -15.603 -8.161 1.00 53.31 H new ATOM 0 HD3 LYS A 76 6.461 -16.046 -9.671 1.00 53.31 H new ATOM 0 HE2 LYS A 76 7.803 -17.853 -9.745 1.00 51.03 H new ATOM 0 HE3 LYS A 76 9.150 -16.773 -10.044 1.00 51.03 H new ATOM 0 HZ1 LYS A 76 9.575 -18.202 -8.152 1.00 64.11 H new ATOM 0 HZ2 LYS A 76 9.493 -16.582 -7.649 1.00 64.11 H new ATOM 0 HZ3 LYS A 76 8.188 -17.629 -7.359 1.00 64.11 H new ATOM 1227 N SER A 77 9.310 -11.657 -6.820 1.00 20.20 N ATOM 1228 CA SER A 77 8.804 -11.087 -5.578 1.00 1.13 C ATOM 1229 C SER A 77 8.225 -9.696 -5.815 1.00 51.21 C ATOM 1230 O SER A 77 7.099 -9.401 -5.409 1.00 61.21 O ATOM 1231 CB SER A 77 9.919 -11.016 -4.533 1.00 31.13 C ATOM 1232 OG SER A 77 9.992 -12.217 -3.783 1.00 11.45 O ATOM 0 H SER A 77 10.299 -11.904 -6.798 1.00 20.20 H new ATOM 0 HA SER A 77 8.009 -11.734 -5.208 1.00 1.13 H new ATOM 0 HB2 SER A 77 10.873 -10.833 -5.027 1.00 31.13 H new ATOM 0 HB3 SER A 77 9.741 -10.175 -3.863 1.00 31.13 H new ATOM 0 HG SER A 77 10.633 -12.827 -4.204 1.00 11.45 H new ATOM 1238 N LEU A 78 9.001 -8.843 -6.474 1.00 41.23 N ATOM 1239 CA LEU A 78 8.567 -7.481 -6.767 1.00 63.32 C ATOM 1240 C LEU A 78 7.290 -7.485 -7.601 1.00 33.03 C ATOM 1241 O LEU A 78 6.431 -6.616 -7.443 1.00 33.42 O ATOM 1242 CB LEU A 78 9.670 -6.721 -7.506 1.00 12.22 C ATOM 1243 CG LEU A 78 9.256 -5.399 -8.153 1.00 0.33 C ATOM 1244 CD1 LEU A 78 8.902 -4.371 -7.088 1.00 63.23 C ATOM 1245 CD2 LEU A 78 10.365 -4.876 -9.053 1.00 41.52 C ATOM 0 H LEU A 78 9.935 -9.070 -6.816 1.00 41.23 H new ATOM 0 HA LEU A 78 8.360 -6.980 -5.821 1.00 63.32 H new ATOM 0 HB2 LEU A 78 10.479 -6.521 -6.804 1.00 12.22 H new ATOM 0 HB3 LEU A 78 10.075 -7.371 -8.282 1.00 12.22 H new ATOM 0 HG LEU A 78 8.372 -5.577 -8.765 1.00 0.33 H new ATOM 0 HD11 LEU A 78 8.610 -3.437 -7.567 1.00 63.23 H new ATOM 0 HD12 LEU A 78 8.075 -4.743 -6.484 1.00 63.23 H new ATOM 0 HD13 LEU A 78 9.768 -4.196 -6.449 1.00 63.23 H new ATOM 0 HD21 LEU A 78 10.053 -3.935 -9.505 1.00 41.52 H new ATOM 0 HD22 LEU A 78 11.267 -4.714 -8.463 1.00 41.52 H new ATOM 0 HD23 LEU A 78 10.571 -5.604 -9.837 1.00 41.52 H new ATOM 1257 N PHE A 79 7.169 -8.468 -8.486 1.00 4.42 N ATOM 1258 CA PHE A 79 5.996 -8.585 -9.344 1.00 72.10 C ATOM 1259 C PHE A 79 4.730 -8.767 -8.511 1.00 30.21 C ATOM 1260 O PHE A 79 3.653 -8.311 -8.893 1.00 71.24 O ATOM 1261 CB PHE A 79 6.159 -9.762 -10.309 1.00 35.12 C ATOM 1262 CG PHE A 79 4.995 -9.937 -11.241 1.00 72.51 C ATOM 1263 CD1 PHE A 79 4.740 -9.006 -12.235 1.00 54.32 C ATOM 1264 CD2 PHE A 79 4.155 -11.033 -11.124 1.00 14.41 C ATOM 1265 CE1 PHE A 79 3.670 -9.165 -13.096 1.00 41.11 C ATOM 1266 CE2 PHE A 79 3.084 -11.196 -11.981 1.00 74.53 C ATOM 1267 CZ PHE A 79 2.840 -10.262 -12.968 1.00 54.52 C ATOM 0 H PHE A 79 7.869 -9.196 -8.628 1.00 4.42 H new ATOM 0 HA PHE A 79 5.903 -7.663 -9.919 1.00 72.10 H new ATOM 0 HB2 PHE A 79 7.066 -9.617 -10.896 1.00 35.12 H new ATOM 0 HB3 PHE A 79 6.294 -10.678 -9.733 1.00 35.12 H new ATOM 0 HD1 PHE A 79 5.385 -8.146 -12.338 1.00 54.32 H new ATOM 0 HD2 PHE A 79 4.340 -11.768 -10.354 1.00 14.41 H new ATOM 0 HE1 PHE A 79 3.483 -8.433 -13.868 1.00 41.11 H new ATOM 0 HE2 PHE A 79 2.437 -12.055 -11.879 1.00 74.53 H new ATOM 0 HZ PHE A 79 2.003 -10.389 -13.638 1.00 54.52 H new ATOM 1277 N ASN A 80 4.869 -9.437 -7.372 1.00 2.23 N ATOM 1278 CA ASN A 80 3.737 -9.680 -6.485 1.00 54.32 C ATOM 1279 C ASN A 80 3.308 -8.394 -5.784 1.00 20.52 C ATOM 1280 O ASN A 80 2.117 -8.108 -5.661 1.00 31.43 O ATOM 1281 CB ASN A 80 4.095 -10.745 -5.447 1.00 21.32 C ATOM 1282 CG ASN A 80 3.996 -12.152 -6.004 1.00 74.21 C ATOM 1283 OD1 ASN A 80 3.505 -12.359 -7.114 1.00 74.24 O ATOM 1284 ND2 ASN A 80 4.464 -13.127 -5.234 1.00 72.21 N ATOM 0 H ASN A 80 5.754 -9.821 -7.041 1.00 2.23 H new ATOM 0 HA ASN A 80 2.904 -10.038 -7.090 1.00 54.32 H new ATOM 0 HB2 ASN A 80 5.109 -10.571 -5.086 1.00 21.32 H new ATOM 0 HB3 ASN A 80 3.430 -10.650 -4.588 1.00 21.32 H new ATOM 0 HD21 ASN A 80 4.425 -14.094 -5.556 1.00 72.21 H new ATOM 0 HD22 ASN A 80 4.863 -12.909 -4.321 1.00 72.21 H new ATOM 1291 N THR A 81 4.288 -7.621 -5.327 1.00 44.13 N ATOM 1292 CA THR A 81 4.014 -6.366 -4.638 1.00 32.31 C ATOM 1293 C THR A 81 3.400 -5.342 -5.586 1.00 32.43 C ATOM 1294 O THR A 81 2.331 -4.794 -5.314 1.00 71.25 O ATOM 1295 CB THR A 81 5.294 -5.774 -4.019 1.00 71.21 C ATOM 1296 OG1 THR A 81 6.021 -6.794 -3.325 1.00 72.42 O ATOM 1297 CG2 THR A 81 4.958 -4.643 -3.060 1.00 3.54 C ATOM 0 H THR A 81 5.279 -7.842 -5.422 1.00 44.13 H new ATOM 0 HA THR A 81 3.305 -6.590 -3.841 1.00 32.31 H new ATOM 0 HB THR A 81 5.909 -5.375 -4.825 1.00 71.21 H new ATOM 0 HG1 THR A 81 6.834 -6.409 -2.936 1.00 72.42 H new ATOM 0 HG21 THR A 81 5.878 -4.241 -2.635 1.00 3.54 H new ATOM 0 HG22 THR A 81 4.431 -3.855 -3.598 1.00 3.54 H new ATOM 0 HG23 THR A 81 4.324 -5.022 -2.259 1.00 3.54 H new ATOM 1305 N VAL A 82 4.081 -5.089 -6.697 1.00 43.44 N ATOM 1306 CA VAL A 82 3.602 -4.131 -7.687 1.00 13.30 C ATOM 1307 C VAL A 82 2.185 -4.469 -8.138 1.00 13.25 C ATOM 1308 O VAL A 82 1.435 -3.594 -8.571 1.00 30.14 O ATOM 1309 CB VAL A 82 4.523 -4.086 -8.920 1.00 25.12 C ATOM 1310 CG1 VAL A 82 4.096 -2.976 -9.867 1.00 71.52 C ATOM 1311 CG2 VAL A 82 5.973 -3.905 -8.494 1.00 11.44 C ATOM 0 H VAL A 82 4.967 -5.534 -6.936 1.00 43.44 H new ATOM 0 HA VAL A 82 3.605 -3.153 -7.206 1.00 13.30 H new ATOM 0 HB VAL A 82 4.438 -5.035 -9.450 1.00 25.12 H new ATOM 0 HG11 VAL A 82 4.759 -2.961 -10.732 1.00 71.52 H new ATOM 0 HG12 VAL A 82 3.073 -3.153 -10.197 1.00 71.52 H new ATOM 0 HG13 VAL A 82 4.150 -2.017 -9.351 1.00 71.52 H new ATOM 0 HG21 VAL A 82 6.611 -3.875 -9.377 1.00 11.44 H new ATOM 0 HG22 VAL A 82 6.076 -2.972 -7.941 1.00 11.44 H new ATOM 0 HG23 VAL A 82 6.272 -4.738 -7.858 1.00 11.44 H new ATOM 1321 N CYS A 83 1.825 -5.744 -8.032 1.00 62.12 N ATOM 1322 CA CYS A 83 0.498 -6.199 -8.429 1.00 73.22 C ATOM 1323 C CYS A 83 -0.564 -5.692 -7.459 1.00 3.13 C ATOM 1324 O CYS A 83 -1.671 -5.335 -7.864 1.00 2.32 O ATOM 1325 CB CYS A 83 0.458 -7.727 -8.494 1.00 45.41 C ATOM 1326 SG CYS A 83 0.815 -8.405 -10.132 1.00 22.13 S ATOM 0 H CYS A 83 2.434 -6.480 -7.675 1.00 62.12 H new ATOM 0 HA CYS A 83 0.284 -5.794 -9.418 1.00 73.22 H new ATOM 0 HB2 CYS A 83 1.178 -8.129 -7.781 1.00 45.41 H new ATOM 0 HB3 CYS A 83 -0.528 -8.068 -8.178 1.00 45.41 H new ATOM 0 HG CYS A 83 2.092 -8.618 -10.245 1.00 22.13 H new ATOM 1332 N VAL A 84 -0.220 -5.663 -6.175 1.00 63.13 N ATOM 1333 CA VAL A 84 -1.144 -5.199 -5.146 1.00 63.13 C ATOM 1334 C VAL A 84 -1.264 -3.680 -5.160 1.00 50.01 C ATOM 1335 O VAL A 84 -2.350 -3.132 -4.964 1.00 44.34 O ATOM 1336 CB VAL A 84 -0.697 -5.655 -3.744 1.00 40.24 C ATOM 1337 CG1 VAL A 84 -1.637 -5.109 -2.680 1.00 70.34 C ATOM 1338 CG2 VAL A 84 -0.624 -7.173 -3.676 1.00 23.22 C ATOM 0 H VAL A 84 0.691 -5.955 -5.823 1.00 63.13 H new ATOM 0 HA VAL A 84 -2.116 -5.639 -5.371 1.00 63.13 H new ATOM 0 HB VAL A 84 0.300 -5.258 -3.552 1.00 40.24 H new ATOM 0 HG11 VAL A 84 -1.305 -5.441 -1.696 1.00 70.34 H new ATOM 0 HG12 VAL A 84 -1.633 -4.020 -2.715 1.00 70.34 H new ATOM 0 HG13 VAL A 84 -2.647 -5.474 -2.865 1.00 70.34 H new ATOM 0 HG21 VAL A 84 -0.307 -7.478 -2.679 1.00 23.22 H new ATOM 0 HG22 VAL A 84 -1.606 -7.594 -3.889 1.00 23.22 H new ATOM 0 HG23 VAL A 84 0.094 -7.536 -4.412 1.00 23.22 H new ATOM 1348 N ILE A 85 -0.144 -3.005 -5.393 1.00 64.13 N ATOM 1349 CA ILE A 85 -0.124 -1.548 -5.435 1.00 53.55 C ATOM 1350 C ILE A 85 -1.092 -1.015 -6.486 1.00 73.32 C ATOM 1351 O ILE A 85 -1.716 0.030 -6.298 1.00 64.44 O ATOM 1352 CB ILE A 85 1.288 -1.012 -5.734 1.00 72.22 C ATOM 1353 CG1 ILE A 85 2.291 -1.559 -4.717 1.00 72.24 C ATOM 1354 CG2 ILE A 85 1.290 0.509 -5.723 1.00 5.13 C ATOM 1355 CD1 ILE A 85 2.167 -0.930 -3.347 1.00 72.54 C ATOM 0 H ILE A 85 0.762 -3.444 -5.556 1.00 64.13 H new ATOM 0 HA ILE A 85 -0.434 -1.200 -4.450 1.00 53.55 H new ATOM 0 HB ILE A 85 1.586 -1.349 -6.727 1.00 72.22 H new ATOM 0 HG12 ILE A 85 2.154 -2.637 -4.627 1.00 72.24 H new ATOM 0 HG13 ILE A 85 3.301 -1.397 -5.092 1.00 72.24 H new ATOM 0 HG21 ILE A 85 2.295 0.873 -5.936 1.00 5.13 H new ATOM 0 HG22 ILE A 85 0.601 0.879 -6.483 1.00 5.13 H new ATOM 0 HG23 ILE A 85 0.975 0.866 -4.743 1.00 5.13 H new ATOM 0 HD11 ILE A 85 2.909 -1.366 -2.678 1.00 72.54 H new ATOM 0 HD12 ILE A 85 2.334 0.144 -3.423 1.00 72.54 H new ATOM 0 HD13 ILE A 85 1.168 -1.115 -2.951 1.00 72.54 H new ATOM 1367 N TRP A 86 -1.213 -1.740 -7.592 1.00 70.20 N ATOM 1368 CA TRP A 86 -2.107 -1.342 -8.674 1.00 1.51 C ATOM 1369 C TRP A 86 -3.565 -1.485 -8.256 1.00 13.11 C ATOM 1370 O TRP A 86 -4.394 -0.625 -8.555 1.00 52.13 O ATOM 1371 CB TRP A 86 -1.836 -2.182 -9.923 1.00 31.12 C ATOM 1372 CG TRP A 86 -2.542 -1.675 -11.144 1.00 40.42 C ATOM 1373 CD1 TRP A 86 -2.081 -0.743 -12.030 1.00 2.34 C ATOM 1374 CD2 TRP A 86 -3.835 -2.071 -11.613 1.00 40.02 C ATOM 1375 NE1 TRP A 86 -3.010 -0.535 -13.021 1.00 4.05 N ATOM 1376 CE2 TRP A 86 -4.094 -1.339 -12.789 1.00 24.01 C ATOM 1377 CE3 TRP A 86 -4.798 -2.974 -11.157 1.00 25.34 C ATOM 1378 CZ2 TRP A 86 -5.276 -1.483 -13.510 1.00 31.00 C ATOM 1379 CZ3 TRP A 86 -5.971 -3.116 -11.874 1.00 23.34 C ATOM 1380 CH2 TRP A 86 -6.202 -2.374 -13.039 1.00 74.13 C ATOM 0 H TRP A 86 -0.703 -2.607 -7.764 1.00 70.20 H new ATOM 0 HA TRP A 86 -1.916 -0.293 -8.902 1.00 1.51 H new ATOM 0 HB2 TRP A 86 -0.763 -2.201 -10.114 1.00 31.12 H new ATOM 0 HB3 TRP A 86 -2.144 -3.210 -9.734 1.00 31.12 H new ATOM 0 HD1 TRP A 86 -1.126 -0.243 -11.962 1.00 2.34 H new ATOM 0 HE1 TRP A 86 -2.909 0.113 -13.802 1.00 4.05 H new ATOM 0 HE3 TRP A 86 -4.629 -3.551 -10.260 1.00 25.34 H new ATOM 0 HZ2 TRP A 86 -5.456 -0.912 -14.409 1.00 31.00 H new ATOM 0 HZ3 TRP A 86 -6.722 -3.811 -11.530 1.00 23.34 H new ATOM 0 HH2 TRP A 86 -7.129 -2.508 -13.576 1.00 74.13 H new ATOM 1391 N CYS A 87 -3.873 -2.576 -7.562 1.00 41.13 N ATOM 1392 CA CYS A 87 -5.233 -2.831 -7.103 1.00 33.32 C ATOM 1393 C CYS A 87 -5.701 -1.737 -6.149 1.00 54.55 C ATOM 1394 O CYS A 87 -6.898 -1.580 -5.907 1.00 54.44 O ATOM 1395 CB CYS A 87 -5.313 -4.194 -6.413 1.00 34.12 C ATOM 1396 SG CYS A 87 -5.570 -5.581 -7.545 1.00 1.11 S ATOM 0 H CYS A 87 -3.199 -3.297 -7.305 1.00 41.13 H new ATOM 0 HA CYS A 87 -5.889 -2.832 -7.974 1.00 33.32 H new ATOM 0 HB2 CYS A 87 -4.392 -4.361 -5.854 1.00 34.12 H new ATOM 0 HB3 CYS A 87 -6.127 -4.175 -5.688 1.00 34.12 H new ATOM 0 HG CYS A 87 -5.832 -6.656 -6.862 1.00 1.11 H new ATOM 1402 N ILE A 88 -4.748 -0.984 -5.610 1.00 15.42 N ATOM 1403 CA ILE A 88 -5.063 0.096 -4.682 1.00 63.13 C ATOM 1404 C ILE A 88 -5.531 1.342 -5.427 1.00 51.12 C ATOM 1405 O ILE A 88 -6.427 2.052 -4.969 1.00 61.02 O ATOM 1406 CB ILE A 88 -3.848 0.461 -3.810 1.00 24.50 C ATOM 1407 CG1 ILE A 88 -3.397 -0.753 -2.993 1.00 1.43 C ATOM 1408 CG2 ILE A 88 -4.183 1.627 -2.894 1.00 11.43 C ATOM 1409 CD1 ILE A 88 -1.986 -0.633 -2.462 1.00 31.21 C ATOM 0 H ILE A 88 -3.753 -1.101 -5.799 1.00 15.42 H new ATOM 0 HA ILE A 88 -5.866 -0.265 -4.040 1.00 63.13 H new ATOM 0 HB ILE A 88 -3.029 0.762 -4.463 1.00 24.50 H new ATOM 0 HG12 ILE A 88 -4.081 -0.892 -2.156 1.00 1.43 H new ATOM 0 HG13 ILE A 88 -3.468 -1.646 -3.614 1.00 1.43 H new ATOM 0 HG21 ILE A 88 -3.313 1.872 -2.284 1.00 11.43 H new ATOM 0 HG22 ILE A 88 -4.461 2.493 -3.494 1.00 11.43 H new ATOM 0 HG23 ILE A 88 -5.015 1.353 -2.245 1.00 11.43 H new ATOM 0 HD11 ILE A 88 -1.734 -1.528 -1.893 1.00 31.21 H new ATOM 0 HD12 ILE A 88 -1.292 -0.525 -3.295 1.00 31.21 H new ATOM 0 HD13 ILE A 88 -1.914 0.241 -1.814 1.00 31.21 H new ATOM 1421 N HIS A 89 -4.921 1.600 -6.579 1.00 41.23 N ATOM 1422 CA HIS A 89 -5.276 2.760 -7.391 1.00 33.42 C ATOM 1423 C HIS A 89 -6.416 2.423 -8.347 1.00 61.33 C ATOM 1424 O HIS A 89 -7.107 3.356 -8.755 1.00 34.31 O ATOM 1425 CB HIS A 89 -4.061 3.250 -8.180 1.00 21.21 C ATOM 1426 CG HIS A 89 -2.872 3.551 -7.320 1.00 3.43 C ATOM 1427 ND1 HIS A 89 -2.889 4.497 -6.316 1.00 52.13 N ATOM 1428 CD2 HIS A 89 -1.624 3.027 -7.318 1.00 72.43 C ATOM 1429 CE1 HIS A 89 -1.703 4.540 -5.736 1.00 74.12 C ATOM 1430 NE2 HIS A 89 -0.917 3.656 -6.325 1.00 14.01 N ATOM 0 H HIS A 89 -4.178 1.022 -6.972 1.00 41.23 H new ATOM 0 HA HIS A 89 -5.608 3.554 -6.722 1.00 33.42 H new ATOM 0 HB2 HIS A 89 -3.786 2.494 -8.915 1.00 21.21 H new ATOM 0 HB3 HIS A 89 -4.335 4.148 -8.734 1.00 21.21 H new ATOM 0 HD1 HIS A 89 -3.691 5.073 -6.061 1.00 52.13 H new ATOM 0 HD2 HIS A 89 -1.253 2.256 -7.977 1.00 72.43 H new ATOM 0 HE1 HIS A 89 -1.423 5.188 -4.919 1.00 74.12 H new ATOM 1438 N ALA A 90 -6.623 1.159 -8.704 1.00 52.20 N ATOM 1439 CA ALA A 90 -7.701 0.790 -9.614 1.00 31.04 C ATOM 1440 C ALA A 90 -9.000 0.542 -8.855 1.00 22.44 C ATOM 1441 O ALA A 90 -9.974 0.045 -9.420 1.00 2.54 O ATOM 1442 CB ALA A 90 -7.313 -0.443 -10.417 1.00 70.33 C ATOM 0 H ALA A 90 -6.059 0.374 -8.377 1.00 52.20 H new ATOM 0 HA ALA A 90 -7.865 1.621 -10.300 1.00 31.04 H new ATOM 0 HB1 ALA A 90 -8.126 -0.708 -11.093 1.00 70.33 H new ATOM 0 HB2 ALA A 90 -6.414 -0.232 -10.996 1.00 70.33 H new ATOM 0 HB3 ALA A 90 -7.120 -1.274 -9.738 1.00 70.33 H new ATOM 1448 N GLU A 91 -9.006 0.890 -7.572 1.00 60.10 N ATOM 1449 CA GLU A 91 -10.186 0.703 -6.736 1.00 5.41 C ATOM 1450 C GLU A 91 -10.511 -0.779 -6.578 1.00 32.23 C ATOM 1451 O GLU A 91 -11.631 -1.144 -6.221 1.00 53.43 O ATOM 1452 CB GLU A 91 -11.385 1.439 -7.337 1.00 20.51 C ATOM 1453 CG GLU A 91 -12.345 1.990 -6.295 1.00 73.13 C ATOM 1454 CD GLU A 91 -13.778 2.032 -6.788 1.00 73.32 C ATOM 1455 OE1 GLU A 91 -14.352 0.950 -7.035 1.00 51.14 O ATOM 1456 OE2 GLU A 91 -14.326 3.145 -6.927 1.00 74.01 O ATOM 0 H GLU A 91 -8.208 1.303 -7.089 1.00 60.10 H new ATOM 0 HA GLU A 91 -9.972 1.117 -5.751 1.00 5.41 H new ATOM 0 HB2 GLU A 91 -11.024 2.260 -7.956 1.00 20.51 H new ATOM 0 HB3 GLU A 91 -11.926 0.758 -7.994 1.00 20.51 H new ATOM 0 HG2 GLU A 91 -12.292 1.376 -5.396 1.00 73.13 H new ATOM 0 HG3 GLU A 91 -12.032 2.995 -6.013 1.00 73.13 H new ATOM 1463 N GLU A 92 -9.523 -1.628 -6.846 1.00 34.24 N ATOM 1464 CA GLU A 92 -9.706 -3.071 -6.734 1.00 50.33 C ATOM 1465 C GLU A 92 -9.499 -3.535 -5.296 1.00 20.41 C ATOM 1466 O GLU A 92 -8.624 -3.034 -4.589 1.00 34.54 O ATOM 1467 CB GLU A 92 -8.736 -3.802 -7.663 1.00 63.20 C ATOM 1468 CG GLU A 92 -9.068 -3.645 -9.137 1.00 70.13 C ATOM 1469 CD GLU A 92 -10.185 -4.568 -9.585 1.00 73.22 C ATOM 1470 OE1 GLU A 92 -10.810 -5.210 -8.715 1.00 45.41 O ATOM 1471 OE2 GLU A 92 -10.435 -4.648 -10.806 1.00 42.43 O ATOM 0 H GLU A 92 -8.590 -1.342 -7.142 1.00 34.24 H new ATOM 0 HA GLU A 92 -10.728 -3.307 -7.029 1.00 50.33 H new ATOM 0 HB2 GLU A 92 -7.727 -3.431 -7.485 1.00 63.20 H new ATOM 0 HB3 GLU A 92 -8.734 -4.862 -7.411 1.00 63.20 H new ATOM 0 HG2 GLU A 92 -9.355 -2.612 -9.333 1.00 70.13 H new ATOM 0 HG3 GLU A 92 -8.176 -3.846 -9.730 1.00 70.13 H new ATOM 1478 N LYS A 93 -10.310 -4.498 -4.868 1.00 54.43 N ATOM 1479 CA LYS A 93 -10.218 -5.032 -3.515 1.00 63.04 C ATOM 1480 C LYS A 93 -9.832 -6.508 -3.539 1.00 4.20 C ATOM 1481 O LYS A 93 -10.356 -7.284 -4.338 1.00 52.31 O ATOM 1482 CB LYS A 93 -11.548 -4.853 -2.782 1.00 20.20 C ATOM 1483 CG LYS A 93 -11.553 -5.436 -1.380 1.00 23.22 C ATOM 1484 CD LYS A 93 -12.548 -6.578 -1.253 1.00 63.31 C ATOM 1485 CE LYS A 93 -11.881 -7.926 -1.480 1.00 25.41 C ATOM 1486 NZ LYS A 93 -12.415 -8.971 -0.562 1.00 40.24 N ATOM 0 H LYS A 93 -11.039 -4.924 -5.440 1.00 54.43 H new ATOM 0 HA LYS A 93 -9.442 -4.480 -2.985 1.00 63.04 H new ATOM 0 HB2 LYS A 93 -11.782 -3.790 -2.725 1.00 20.20 H new ATOM 0 HB3 LYS A 93 -12.340 -5.323 -3.365 1.00 20.20 H new ATOM 0 HG2 LYS A 93 -10.554 -5.793 -1.130 1.00 23.22 H new ATOM 0 HG3 LYS A 93 -11.801 -4.655 -0.661 1.00 23.22 H new ATOM 0 HD2 LYS A 93 -13.002 -6.558 -0.262 1.00 63.31 H new ATOM 0 HD3 LYS A 93 -13.353 -6.443 -1.975 1.00 63.31 H new ATOM 0 HE2 LYS A 93 -12.034 -8.238 -2.513 1.00 25.41 H new ATOM 0 HE3 LYS A 93 -10.805 -7.828 -1.333 1.00 25.41 H new ATOM 0 HZ1 LYS A 93 -11.935 -9.875 -0.748 1.00 40.24 H new ATOM 0 HZ2 LYS A 93 -12.246 -8.686 0.424 1.00 40.24 H new ATOM 0 HZ3 LYS A 93 -13.437 -9.083 -0.720 1.00 40.24 H new ATOM 1500 N VAL A 94 -8.914 -6.889 -2.657 1.00 22.50 N ATOM 1501 CA VAL A 94 -8.460 -8.273 -2.574 1.00 51.12 C ATOM 1502 C VAL A 94 -8.188 -8.677 -1.131 1.00 32.35 C ATOM 1503 O VAL A 94 -7.984 -7.827 -0.264 1.00 11.44 O ATOM 1504 CB VAL A 94 -7.184 -8.495 -3.407 1.00 45.13 C ATOM 1505 CG1 VAL A 94 -7.480 -8.341 -4.891 1.00 40.45 C ATOM 1506 CG2 VAL A 94 -6.089 -7.533 -2.971 1.00 53.43 C ATOM 0 H VAL A 94 -8.470 -6.259 -1.989 1.00 22.50 H new ATOM 0 HA VAL A 94 -9.261 -8.893 -2.976 1.00 51.12 H new ATOM 0 HB VAL A 94 -6.832 -9.512 -3.235 1.00 45.13 H new ATOM 0 HG11 VAL A 94 -6.566 -8.501 -5.463 1.00 40.45 H new ATOM 0 HG12 VAL A 94 -8.229 -9.074 -5.191 1.00 40.45 H new ATOM 0 HG13 VAL A 94 -7.857 -7.337 -5.084 1.00 40.45 H new ATOM 0 HG21 VAL A 94 -5.195 -7.704 -3.570 1.00 53.43 H new ATOM 0 HG22 VAL A 94 -6.429 -6.507 -3.111 1.00 53.43 H new ATOM 0 HG23 VAL A 94 -5.858 -7.698 -1.919 1.00 53.43 H new ATOM 1516 N LYS A 95 -8.186 -9.982 -0.877 1.00 55.41 N ATOM 1517 CA LYS A 95 -7.938 -10.501 0.462 1.00 43.41 C ATOM 1518 C LYS A 95 -6.480 -10.920 0.621 1.00 4.42 C ATOM 1519 O LYS A 95 -5.927 -10.872 1.721 1.00 32.51 O ATOM 1520 CB LYS A 95 -8.856 -11.693 0.747 1.00 2.25 C ATOM 1521 CG LYS A 95 -8.995 -12.012 2.225 1.00 24.44 C ATOM 1522 CD LYS A 95 -10.023 -13.105 2.465 1.00 70.20 C ATOM 1523 CE LYS A 95 -10.439 -13.169 3.927 1.00 45.35 C ATOM 1524 NZ LYS A 95 -9.972 -14.421 4.583 1.00 41.11 N ATOM 0 H LYS A 95 -8.354 -10.699 -1.582 1.00 55.41 H new ATOM 0 HA LYS A 95 -8.150 -9.707 1.178 1.00 43.41 H new ATOM 0 HB2 LYS A 95 -9.843 -11.488 0.334 1.00 2.25 H new ATOM 0 HB3 LYS A 95 -8.470 -12.571 0.229 1.00 2.25 H new ATOM 0 HG2 LYS A 95 -8.030 -12.325 2.623 1.00 24.44 H new ATOM 0 HG3 LYS A 95 -9.286 -11.112 2.767 1.00 24.44 H new ATOM 0 HD2 LYS A 95 -10.900 -12.923 1.844 1.00 70.20 H new ATOM 0 HD3 LYS A 95 -9.610 -14.067 2.161 1.00 70.20 H new ATOM 0 HE2 LYS A 95 -10.033 -12.308 4.458 1.00 45.35 H new ATOM 0 HE3 LYS A 95 -11.525 -13.105 3.999 1.00 45.35 H new ATOM 0 HZ1 LYS A 95 -10.276 -14.426 5.578 1.00 41.11 H new ATOM 0 HZ2 LYS A 95 -10.379 -15.243 4.093 1.00 41.11 H new ATOM 0 HZ3 LYS A 95 -8.934 -14.470 4.538 1.00 41.11 H new ATOM 1538 N ASP A 96 -5.861 -11.326 -0.482 1.00 14.23 N ATOM 1539 CA ASP A 96 -4.467 -11.749 -0.464 1.00 63.33 C ATOM 1540 C ASP A 96 -3.730 -11.247 -1.702 1.00 55.23 C ATOM 1541 O ASP A 96 -4.277 -10.478 -2.493 1.00 54.35 O ATOM 1542 CB ASP A 96 -4.376 -13.275 -0.386 1.00 43.43 C ATOM 1543 CG ASP A 96 -5.079 -13.957 -1.543 1.00 2.03 C ATOM 1544 OD1 ASP A 96 -4.443 -14.135 -2.603 1.00 61.03 O ATOM 1545 OD2 ASP A 96 -6.266 -14.313 -1.387 1.00 53.34 O ATOM 0 H ASP A 96 -6.303 -11.371 -1.400 1.00 14.23 H new ATOM 0 HA ASP A 96 -3.994 -11.318 0.418 1.00 63.33 H new ATOM 0 HB2 ASP A 96 -3.328 -13.573 -0.375 1.00 43.43 H new ATOM 0 HB3 ASP A 96 -4.814 -13.615 0.553 1.00 43.43 H new ATOM 1550 N THR A 97 -2.485 -11.684 -1.864 1.00 34.35 N ATOM 1551 CA THR A 97 -1.673 -11.277 -3.002 1.00 54.34 C ATOM 1552 C THR A 97 -2.042 -12.070 -4.252 1.00 51.41 C ATOM 1553 O THR A 97 -2.186 -11.505 -5.336 1.00 21.30 O ATOM 1554 CB THR A 97 -0.172 -11.461 -2.716 1.00 65.14 C ATOM 1555 OG1 THR A 97 0.228 -10.615 -1.632 1.00 63.41 O ATOM 1556 CG2 THR A 97 0.658 -11.138 -3.950 1.00 40.31 C ATOM 0 H THR A 97 -2.017 -12.321 -1.219 1.00 34.35 H new ATOM 0 HA THR A 97 -1.875 -10.220 -3.172 1.00 54.34 H new ATOM 0 HB THR A 97 -0.002 -12.503 -2.445 1.00 65.14 H new ATOM 0 HG1 THR A 97 0.798 -9.895 -1.973 1.00 63.41 H new ATOM 0 HG21 THR A 97 1.715 -11.275 -3.723 1.00 40.31 H new ATOM 0 HG22 THR A 97 0.372 -11.803 -4.765 1.00 40.31 H new ATOM 0 HG23 THR A 97 0.482 -10.104 -4.247 1.00 40.31 H new ATOM 1564 N GLU A 98 -2.194 -13.381 -4.092 1.00 3.42 N ATOM 1565 CA GLU A 98 -2.544 -14.250 -5.208 1.00 74.20 C ATOM 1566 C GLU A 98 -3.777 -13.725 -5.940 1.00 44.12 C ATOM 1567 O GLU A 98 -3.864 -13.802 -7.165 1.00 55.01 O ATOM 1568 CB GLU A 98 -2.802 -15.675 -4.713 1.00 34.12 C ATOM 1569 CG GLU A 98 -1.605 -16.598 -4.867 1.00 72.24 C ATOM 1570 CD GLU A 98 -1.603 -17.332 -6.195 1.00 3.15 C ATOM 1571 OE1 GLU A 98 -2.701 -17.628 -6.711 1.00 12.13 O ATOM 1572 OE2 GLU A 98 -0.503 -17.611 -6.718 1.00 15.43 O ATOM 0 H GLU A 98 -2.080 -13.864 -3.201 1.00 3.42 H new ATOM 0 HA GLU A 98 -1.705 -14.260 -5.904 1.00 74.20 H new ATOM 0 HB2 GLU A 98 -3.090 -15.639 -3.662 1.00 34.12 H new ATOM 0 HB3 GLU A 98 -3.646 -16.094 -5.261 1.00 34.12 H new ATOM 0 HG2 GLU A 98 -0.688 -16.016 -4.776 1.00 72.24 H new ATOM 0 HG3 GLU A 98 -1.604 -17.324 -4.054 1.00 72.24 H new ATOM 1579 N GLY A 99 -4.727 -13.189 -5.179 1.00 62.24 N ATOM 1580 CA GLY A 99 -5.940 -12.659 -5.772 1.00 72.31 C ATOM 1581 C GLY A 99 -5.680 -11.439 -6.633 1.00 35.22 C ATOM 1582 O GLY A 99 -6.206 -11.328 -7.739 1.00 70.32 O ATOM 0 H GLY A 99 -4.678 -13.113 -4.163 1.00 62.24 H new ATOM 0 HA2 GLY A 99 -6.413 -13.433 -6.377 1.00 72.31 H new ATOM 0 HA3 GLY A 99 -6.643 -12.398 -4.981 1.00 72.31 H new ATOM 1586 N ALA A 100 -4.869 -10.519 -6.122 1.00 60.32 N ATOM 1587 CA ALA A 100 -4.540 -9.300 -6.851 1.00 73.31 C ATOM 1588 C ALA A 100 -3.800 -9.618 -8.146 1.00 33.32 C ATOM 1589 O ALA A 100 -4.029 -8.983 -9.176 1.00 62.55 O ATOM 1590 CB ALA A 100 -3.708 -8.372 -5.979 1.00 43.32 C ATOM 0 H ALA A 100 -4.427 -10.594 -5.206 1.00 60.32 H new ATOM 0 HA ALA A 100 -5.472 -8.798 -7.110 1.00 73.31 H new ATOM 0 HB1 ALA A 100 -3.470 -7.466 -6.536 1.00 43.32 H new ATOM 0 HB2 ALA A 100 -4.273 -8.110 -5.084 1.00 43.32 H new ATOM 0 HB3 ALA A 100 -2.785 -8.874 -5.691 1.00 43.32 H new ATOM 1596 N LYS A 101 -2.911 -10.604 -8.087 1.00 73.41 N ATOM 1597 CA LYS A 101 -2.136 -11.007 -9.255 1.00 54.12 C ATOM 1598 C LYS A 101 -3.051 -11.519 -10.364 1.00 14.23 C ATOM 1599 O LYS A 101 -2.757 -11.352 -11.547 1.00 55.53 O ATOM 1600 CB LYS A 101 -1.126 -12.091 -8.873 1.00 33.23 C ATOM 1601 CG LYS A 101 0.101 -12.121 -9.767 1.00 74.32 C ATOM 1602 CD LYS A 101 0.426 -13.534 -10.220 1.00 63.33 C ATOM 1603 CE LYS A 101 -0.096 -13.804 -11.623 1.00 41.02 C ATOM 1604 NZ LYS A 101 0.649 -14.908 -12.291 1.00 15.35 N ATOM 0 H LYS A 101 -2.709 -11.139 -7.242 1.00 73.41 H new ATOM 0 HA LYS A 101 -1.600 -10.133 -9.624 1.00 54.12 H new ATOM 0 HB2 LYS A 101 -0.810 -11.934 -7.842 1.00 33.23 H new ATOM 0 HB3 LYS A 101 -1.617 -13.063 -8.912 1.00 33.23 H new ATOM 0 HG2 LYS A 101 -0.067 -11.488 -10.638 1.00 74.32 H new ATOM 0 HG3 LYS A 101 0.954 -11.705 -9.230 1.00 74.32 H new ATOM 0 HD2 LYS A 101 1.505 -13.685 -10.197 1.00 63.33 H new ATOM 0 HD3 LYS A 101 -0.011 -14.250 -9.524 1.00 63.33 H new ATOM 0 HE2 LYS A 101 -1.155 -14.059 -11.574 1.00 41.02 H new ATOM 0 HE3 LYS A 101 -0.014 -12.897 -12.222 1.00 41.02 H new ATOM 0 HZ1 LYS A 101 0.263 -15.060 -13.244 1.00 15.35 H new ATOM 0 HZ2 LYS A 101 1.655 -14.655 -12.362 1.00 15.35 H new ATOM 0 HZ3 LYS A 101 0.550 -15.781 -11.734 1.00 15.35 H new ATOM 1618 N GLN A 102 -4.159 -12.139 -9.972 1.00 41.40 N ATOM 1619 CA GLN A 102 -5.116 -12.673 -10.934 1.00 71.34 C ATOM 1620 C GLN A 102 -5.888 -11.547 -11.616 1.00 62.41 C ATOM 1621 O GLN A 102 -6.124 -11.587 -12.824 1.00 61.33 O ATOM 1622 CB GLN A 102 -6.089 -13.629 -10.241 1.00 41.31 C ATOM 1623 CG GLN A 102 -7.137 -14.212 -11.175 1.00 42.23 C ATOM 1624 CD GLN A 102 -7.836 -15.420 -10.585 1.00 14.10 C ATOM 1625 OE1 GLN A 102 -8.908 -15.303 -9.990 1.00 13.33 O ATOM 1626 NE2 GLN A 102 -7.233 -16.591 -10.747 1.00 64.42 N ATOM 0 H GLN A 102 -4.416 -12.284 -8.996 1.00 41.40 H new ATOM 0 HA GLN A 102 -4.561 -13.221 -11.695 1.00 71.34 H new ATOM 0 HB2 GLN A 102 -5.524 -14.444 -9.788 1.00 41.31 H new ATOM 0 HB3 GLN A 102 -6.590 -13.100 -9.431 1.00 41.31 H new ATOM 0 HG2 GLN A 102 -7.877 -13.446 -11.408 1.00 42.23 H new ATOM 0 HG3 GLN A 102 -6.664 -14.494 -12.115 1.00 42.23 H new ATOM 0 HE21 GLN A 102 -6.345 -16.643 -11.247 1.00 64.42 H new ATOM 0 HE22 GLN A 102 -7.657 -17.439 -10.372 1.00 64.42 H new ATOM 1635 N ILE A 103 -6.279 -10.547 -10.835 1.00 23.43 N ATOM 1636 CA ILE A 103 -7.024 -9.411 -11.363 1.00 65.20 C ATOM 1637 C ILE A 103 -6.223 -8.680 -12.435 1.00 74.34 C ATOM 1638 O ILE A 103 -6.757 -8.314 -13.483 1.00 22.13 O ATOM 1639 CB ILE A 103 -7.398 -8.416 -10.249 1.00 50.50 C ATOM 1640 CG1 ILE A 103 -8.233 -9.111 -9.172 1.00 24.41 C ATOM 1641 CG2 ILE A 103 -8.155 -7.230 -10.831 1.00 25.52 C ATOM 1642 CD1 ILE A 103 -8.469 -8.258 -7.946 1.00 5.25 C ATOM 0 H ILE A 103 -6.092 -10.500 -9.833 1.00 23.43 H new ATOM 0 HA ILE A 103 -7.938 -9.810 -11.804 1.00 65.20 H new ATOM 0 HB ILE A 103 -6.481 -8.048 -9.789 1.00 50.50 H new ATOM 0 HG12 ILE A 103 -9.195 -9.396 -9.597 1.00 24.41 H new ATOM 0 HG13 ILE A 103 -7.732 -10.032 -8.873 1.00 24.41 H new ATOM 0 HG21 ILE A 103 -8.413 -6.535 -10.032 1.00 25.52 H new ATOM 0 HG22 ILE A 103 -7.528 -6.723 -11.565 1.00 25.52 H new ATOM 0 HG23 ILE A 103 -9.067 -7.582 -11.314 1.00 25.52 H new ATOM 0 HD11 ILE A 103 -9.068 -8.815 -7.225 1.00 5.25 H new ATOM 0 HD12 ILE A 103 -7.512 -7.995 -7.496 1.00 5.25 H new ATOM 0 HD13 ILE A 103 -8.998 -7.349 -8.232 1.00 5.25 H new ATOM 1654 N VAL A 104 -4.938 -8.473 -12.168 1.00 10.42 N ATOM 1655 CA VAL A 104 -4.062 -7.788 -13.111 1.00 62.12 C ATOM 1656 C VAL A 104 -3.871 -8.610 -14.380 1.00 70.11 C ATOM 1657 O VAL A 104 -4.066 -8.113 -15.490 1.00 21.42 O ATOM 1658 CB VAL A 104 -2.683 -7.498 -12.488 1.00 22.20 C ATOM 1659 CG1 VAL A 104 -1.772 -6.821 -13.500 1.00 4.43 C ATOM 1660 CG2 VAL A 104 -2.833 -6.646 -11.237 1.00 0.32 C ATOM 0 H VAL A 104 -4.480 -8.770 -11.306 1.00 10.42 H new ATOM 0 HA VAL A 104 -4.545 -6.844 -13.362 1.00 62.12 H new ATOM 0 HB VAL A 104 -2.226 -8.445 -12.201 1.00 22.20 H new ATOM 0 HG11 VAL A 104 -0.803 -6.624 -13.042 1.00 4.43 H new ATOM 0 HG12 VAL A 104 -1.640 -7.473 -14.364 1.00 4.43 H new ATOM 0 HG13 VAL A 104 -2.220 -5.880 -13.821 1.00 4.43 H new ATOM 0 HG21 VAL A 104 -1.849 -6.451 -10.810 1.00 0.32 H new ATOM 0 HG22 VAL A 104 -3.311 -5.701 -11.496 1.00 0.32 H new ATOM 0 HG23 VAL A 104 -3.447 -7.175 -10.508 1.00 0.32 H new ATOM 1670 N ARG A 105 -3.489 -9.872 -14.210 1.00 20.21 N ATOM 1671 CA ARG A 105 -3.271 -10.764 -15.342 1.00 21.11 C ATOM 1672 C ARG A 105 -4.574 -11.011 -16.098 1.00 62.10 C ATOM 1673 O ARG A 105 -4.563 -11.486 -17.234 1.00 23.43 O ATOM 1674 CB ARG A 105 -2.686 -12.094 -14.865 1.00 45.13 C ATOM 1675 CG ARG A 105 -2.060 -12.918 -15.978 1.00 64.14 C ATOM 1676 CD ARG A 105 -2.333 -14.403 -15.794 1.00 14.01 C ATOM 1677 NE ARG A 105 -3.506 -14.841 -16.546 1.00 72.25 N ATOM 1678 CZ ARG A 105 -4.169 -15.962 -16.285 1.00 73.44 C ATOM 1679 NH1 ARG A 105 -3.777 -16.754 -15.297 1.00 14.11 N ATOM 1680 NH2 ARG A 105 -5.227 -16.294 -17.014 1.00 50.15 N ATOM 0 H ARG A 105 -3.324 -10.299 -13.299 1.00 20.21 H new ATOM 0 HA ARG A 105 -2.563 -10.285 -16.019 1.00 21.11 H new ATOM 0 HB2 ARG A 105 -1.933 -11.897 -14.102 1.00 45.13 H new ATOM 0 HB3 ARG A 105 -3.474 -12.679 -14.391 1.00 45.13 H new ATOM 0 HG2 ARG A 105 -2.455 -12.591 -16.940 1.00 64.14 H new ATOM 0 HG3 ARG A 105 -0.984 -12.745 -15.999 1.00 64.14 H new ATOM 0 HD2 ARG A 105 -1.462 -14.974 -16.116 1.00 14.01 H new ATOM 0 HD3 ARG A 105 -2.481 -14.616 -14.735 1.00 14.01 H new ATOM 0 HE ARG A 105 -3.834 -14.254 -17.313 1.00 72.25 H new ATOM 0 HH11 ARG A 105 -2.964 -16.503 -14.734 1.00 14.11 H new ATOM 0 HH12 ARG A 105 -4.288 -17.614 -15.099 1.00 14.11 H new ATOM 0 HH21 ARG A 105 -5.532 -15.688 -17.776 1.00 50.15 H new ATOM 0 HH22 ARG A 105 -5.735 -17.155 -16.813 1.00 50.15 H new ATOM 1694 N ARG A 106 -5.693 -10.685 -15.461 1.00 32.11 N ATOM 1695 CA ARG A 106 -7.003 -10.873 -16.072 1.00 33.33 C ATOM 1696 C ARG A 106 -7.372 -9.677 -16.945 1.00 72.42 C ATOM 1697 O ARG A 106 -7.844 -9.840 -18.071 1.00 14.52 O ATOM 1698 CB ARG A 106 -8.068 -11.078 -14.993 1.00 12.23 C ATOM 1699 CG ARG A 106 -9.457 -11.343 -15.551 1.00 25.30 C ATOM 1700 CD ARG A 106 -10.220 -12.341 -14.693 1.00 53.34 C ATOM 1701 NE ARG A 106 -11.651 -12.333 -14.987 1.00 55.25 N ATOM 1702 CZ ARG A 106 -12.486 -11.397 -14.550 1.00 5.43 C ATOM 1703 NH1 ARG A 106 -12.035 -10.399 -13.803 1.00 13.32 N ATOM 1704 NH2 ARG A 106 -13.775 -11.458 -14.859 1.00 71.44 N ATOM 0 H ARG A 106 -5.719 -10.289 -14.521 1.00 32.11 H new ATOM 0 HA ARG A 106 -6.958 -11.761 -16.702 1.00 33.33 H new ATOM 0 HB2 ARG A 106 -7.775 -11.915 -14.359 1.00 12.23 H new ATOM 0 HB3 ARG A 106 -8.104 -10.194 -14.357 1.00 12.23 H new ATOM 0 HG2 ARG A 106 -10.013 -10.407 -15.605 1.00 25.30 H new ATOM 0 HG3 ARG A 106 -9.375 -11.724 -16.569 1.00 25.30 H new ATOM 0 HD2 ARG A 106 -9.821 -13.342 -14.859 1.00 53.34 H new ATOM 0 HD3 ARG A 106 -10.065 -12.107 -13.640 1.00 53.34 H new ATOM 0 HE ARG A 106 -12.030 -13.088 -15.559 1.00 55.25 H new ATOM 0 HH11 ARG A 106 -11.045 -10.349 -13.563 1.00 13.32 H new ATOM 0 HH12 ARG A 106 -12.678 -9.681 -13.469 1.00 13.32 H new ATOM 0 HH21 ARG A 106 -14.126 -12.225 -15.433 1.00 71.44 H new ATOM 0 HH22 ARG A 106 -14.415 -10.738 -14.522 1.00 71.44 H new ATOM 1718 N HIS A 107 -7.154 -8.476 -16.418 1.00 60.13 N ATOM 1719 CA HIS A 107 -7.464 -7.252 -17.149 1.00 62.14 C ATOM 1720 C HIS A 107 -6.545 -7.095 -18.358 1.00 71.30 C ATOM 1721 O HIS A 107 -7.004 -6.527 -19.349 1.00 75.42 O ATOM 1722 CB HIS A 107 -7.330 -6.036 -16.232 1.00 25.24 C ATOM 1723 CG HIS A 107 -8.487 -5.860 -15.298 1.00 72.30 C ATOM 1724 ND1 HIS A 107 -9.802 -5.957 -15.703 1.00 61.41 N ATOM 1725 CD2 HIS A 107 -8.523 -5.593 -13.972 1.00 11.32 C ATOM 1726 CE1 HIS A 107 -10.596 -5.756 -14.666 1.00 4.00 C ATOM 1727 NE2 HIS A 107 -9.843 -5.533 -13.603 1.00 14.03 N ATOM 0 H HIS A 107 -6.764 -8.324 -15.488 1.00 60.13 H new ATOM 0 HA HIS A 107 -8.493 -7.320 -17.501 1.00 62.14 H new ATOM 0 HB2 HIS A 107 -6.414 -6.130 -15.649 1.00 25.24 H new ATOM 0 HB3 HIS A 107 -7.228 -5.140 -16.844 1.00 25.24 H new ATOM 0 HD2 HIS A 107 -7.670 -5.453 -13.324 1.00 11.32 H new ATOM 0 HE1 HIS A 107 -11.676 -5.771 -14.684 1.00 4.00 H new ATOM 0 HE2 HIS A 107 -10.187 -5.347 -12.661 1.00 14.03 H new ATOM 1735 N LEU A 108 -5.304 -7.566 -18.305 1.00 51.04 N ATOM 1736 CA LEU A 108 -4.389 -7.440 -19.435 1.00 61.30 C ATOM 1737 C LEU A 108 -4.860 -8.286 -20.614 1.00 11.24 C ATOM 1738 O LEU A 108 -4.723 -7.888 -21.771 1.00 70.44 O ATOM 1739 CB LEU A 108 -2.977 -7.860 -19.022 1.00 53.14 C ATOM 1740 CG LEU A 108 -2.314 -7.010 -17.938 1.00 32.10 C ATOM 1741 CD1 LEU A 108 -1.073 -7.704 -17.400 1.00 70.43 C ATOM 1742 CD2 LEU A 108 -1.965 -5.631 -18.480 1.00 24.11 C ATOM 0 H LEU A 108 -4.908 -8.038 -17.492 1.00 51.04 H new ATOM 0 HA LEU A 108 -4.374 -6.395 -19.745 1.00 61.30 H new ATOM 0 HB2 LEU A 108 -3.014 -8.892 -18.674 1.00 53.14 H new ATOM 0 HB3 LEU A 108 -2.341 -7.844 -19.907 1.00 53.14 H new ATOM 0 HG LEU A 108 -3.020 -6.887 -17.117 1.00 32.10 H new ATOM 0 HD11 LEU A 108 -0.615 -7.084 -16.630 1.00 70.43 H new ATOM 0 HD12 LEU A 108 -1.351 -8.667 -16.973 1.00 70.43 H new ATOM 0 HD13 LEU A 108 -0.362 -7.859 -18.212 1.00 70.43 H new ATOM 0 HD21 LEU A 108 -1.494 -5.040 -17.695 1.00 24.11 H new ATOM 0 HD22 LEU A 108 -1.277 -5.733 -19.319 1.00 24.11 H new ATOM 0 HD23 LEU A 108 -2.874 -5.131 -18.815 1.00 24.11 H new