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 155:sc= 0.64 USER MOD Set 1.2: A 97 THR OG1 : rot 64:sc= 1.6 USER MOD Set 2.1: A 72 SER OG : rot -149:sc= 0.495 USER MOD Set 2.2: A 74 ASN : amide:sc= 0.45 X(o=0.95,f=1.1) USER MOD Single : A 26 LYS NZ :NH3+ -159:sc= -0.068 (180deg=-0.36) 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= -0.638 K(o=-0.64,f=-5.5!) USER MOD Single : A 39 ASN : amide:sc= -0.0661 K(o=-0.066,f=-1.9!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0.031 USER MOD Single : A 53 SER OG : rot 133:sc= 0.613 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 CYS SG : rot 33:sc= -0.154 USER MOD Single : A 58 GLN : amide:sc= -0.0937 X(o=-0.094,f=0) 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 USER MOD Single : A 76 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.172) USER MOD Single : A 77 SER OG : rot 92:sc= 1.18 USER MOD Single : A 80 ASN : amide:sc= -0.0819 K(o=-0.082,f=-0.66) USER MOD Single : A 81 THR OG1 : rot 72:sc= 0.00674 USER MOD Single : A 83 CYS SG : rot 85:sc= -1.04 USER MOD Single : A 87 CYS SG : rot -170:sc= -0.954 USER MOD Single : A 89 HIS : no HD1:sc= 0.898 K(o=0.9,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+ 167:sc= -0.211 (180deg=-0.424) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 HIS : no HD1:sc= -0.553 K(o=-0.55,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 177 N ALA A 13 -4.400 3.070 3.750 1.00 1.21 N ATOM 178 CA ALA A 13 -3.554 2.169 4.520 1.00 64.43 C ATOM 179 C ALA A 13 -4.337 0.947 4.990 1.00 1.54 C ATOM 180 O ALA A 13 -3.808 -0.164 5.030 1.00 63.05 O ATOM 181 CB ALA A 13 -2.948 2.899 5.709 1.00 44.02 C ATOM 0 HA ALA A 13 -2.749 1.825 3.871 1.00 64.43 H new ATOM 0 HB1 ALA A 13 -2.318 2.213 6.275 1.00 44.02 H new ATOM 0 HB2 ALA A 13 -2.346 3.735 5.354 1.00 44.02 H new ATOM 0 HB3 ALA A 13 -3.745 3.273 6.351 1.00 44.02 H new ATOM 187 N ASP A 14 -5.598 1.161 5.346 1.00 35.20 N ATOM 188 CA ASP A 14 -6.455 0.077 5.814 1.00 42.44 C ATOM 189 C ASP A 14 -6.587 -1.008 4.750 1.00 60.43 C ATOM 190 O ASP A 14 -6.981 -2.135 5.047 1.00 72.32 O ATOM 191 CB ASP A 14 -7.837 0.615 6.185 1.00 11.32 C ATOM 192 CG ASP A 14 -8.822 -0.492 6.507 1.00 40.04 C ATOM 193 OD1 ASP A 14 -8.902 -0.892 7.687 1.00 1.04 O ATOM 194 OD2 ASP A 14 -9.515 -0.957 5.578 1.00 63.32 O ATOM 0 H ASP A 14 -6.050 2.075 5.320 1.00 35.20 H new ATOM 0 HA ASP A 14 -5.995 -0.361 6.700 1.00 42.44 H new ATOM 0 HB2 ASP A 14 -7.747 1.278 7.045 1.00 11.32 H new ATOM 0 HB3 ASP A 14 -8.224 1.213 5.360 1.00 11.32 H new ATOM 199 N GLU A 15 -6.256 -0.659 3.511 1.00 42.23 N ATOM 200 CA GLU A 15 -6.340 -1.603 2.403 1.00 31.10 C ATOM 201 C GLU A 15 -5.017 -2.340 2.215 1.00 72.23 C ATOM 202 O GLU A 15 -4.996 -3.542 1.948 1.00 24.43 O ATOM 203 CB GLU A 15 -6.720 -0.877 1.112 1.00 61.13 C ATOM 204 CG GLU A 15 -8.056 -1.317 0.536 1.00 41.54 C ATOM 205 CD GLU A 15 -9.001 -0.155 0.299 1.00 43.34 C ATOM 206 OE1 GLU A 15 -9.677 0.264 1.261 1.00 31.05 O ATOM 207 OE2 GLU A 15 -9.063 0.336 -0.848 1.00 25.45 O ATOM 0 H GLU A 15 -5.927 0.270 3.249 1.00 42.23 H new ATOM 0 HA GLU A 15 -7.113 -2.334 2.640 1.00 31.10 H new ATOM 0 HB2 GLU A 15 -6.752 0.195 1.304 1.00 61.13 H new ATOM 0 HB3 GLU A 15 -5.941 -1.044 0.368 1.00 61.13 H new ATOM 0 HG2 GLU A 15 -7.887 -1.840 -0.405 1.00 41.54 H new ATOM 0 HG3 GLU A 15 -8.524 -2.028 1.217 1.00 41.54 H new ATOM 214 N LEU A 16 -3.915 -1.611 2.354 1.00 14.11 N ATOM 215 CA LEU A 16 -2.587 -2.194 2.199 1.00 1.43 C ATOM 216 C LEU A 16 -2.288 -3.175 3.328 1.00 51.15 C ATOM 217 O LEU A 16 -1.821 -4.288 3.087 1.00 11.44 O ATOM 218 CB LEU A 16 -1.526 -1.092 2.171 1.00 22.23 C ATOM 219 CG LEU A 16 -0.119 -1.526 1.757 1.00 60.42 C ATOM 220 CD1 LEU A 16 0.722 -1.848 2.983 1.00 42.45 C ATOM 221 CD2 LEU A 16 -0.185 -2.725 0.822 1.00 22.02 C ATOM 0 H LEU A 16 -3.915 -0.615 2.574 1.00 14.11 H new ATOM 0 HA LEU A 16 -2.563 -2.738 1.255 1.00 1.43 H new ATOM 0 HB2 LEU A 16 -1.860 -0.311 1.488 1.00 22.23 H new ATOM 0 HB3 LEU A 16 -1.469 -0.644 3.163 1.00 22.23 H new ATOM 0 HG LEU A 16 0.354 -0.701 1.224 1.00 60.42 H new ATOM 0 HD11 LEU A 16 1.720 -2.155 2.669 1.00 42.45 H new ATOM 0 HD12 LEU A 16 0.797 -0.964 3.616 1.00 42.45 H new ATOM 0 HD13 LEU A 16 0.253 -2.657 3.544 1.00 42.45 H new ATOM 0 HD21 LEU A 16 0.825 -3.020 0.537 1.00 22.02 H new ATOM 0 HD22 LEU A 16 -0.677 -3.555 1.329 1.00 22.02 H new ATOM 0 HD23 LEU A 16 -0.751 -2.459 -0.071 1.00 22.02 H new ATOM 233 N GLU A 17 -2.563 -2.755 4.559 1.00 25.33 N ATOM 234 CA GLU A 17 -2.324 -3.600 5.724 1.00 14.45 C ATOM 235 C GLU A 17 -3.300 -4.772 5.756 1.00 52.42 C ATOM 236 O GLU A 17 -3.142 -5.704 6.543 1.00 24.05 O ATOM 237 CB GLU A 17 -2.452 -2.779 7.010 1.00 32.31 C ATOM 238 CG GLU A 17 -1.491 -1.606 7.082 1.00 50.20 C ATOM 239 CD GLU A 17 -0.208 -1.946 7.815 1.00 14.51 C ATOM 240 OE1 GLU A 17 0.629 -2.672 7.241 1.00 71.43 O ATOM 241 OE2 GLU A 17 -0.042 -1.486 8.965 1.00 41.12 O ATOM 0 H GLU A 17 -2.951 -1.837 4.775 1.00 25.33 H new ATOM 0 HA GLU A 17 -1.311 -3.996 5.653 1.00 14.45 H new ATOM 0 HB2 GLU A 17 -3.473 -2.407 7.093 1.00 32.31 H new ATOM 0 HB3 GLU A 17 -2.280 -3.432 7.866 1.00 32.31 H new ATOM 0 HG2 GLU A 17 -1.251 -1.276 6.071 1.00 50.20 H new ATOM 0 HG3 GLU A 17 -1.980 -0.771 7.583 1.00 50.20 H new ATOM 248 N ARG A 18 -4.310 -4.716 4.895 1.00 73.40 N ATOM 249 CA ARG A 18 -5.314 -5.772 4.825 1.00 22.01 C ATOM 250 C ARG A 18 -4.884 -6.867 3.853 1.00 51.11 C ATOM 251 O ARG A 18 -5.031 -8.056 4.139 1.00 54.15 O ATOM 252 CB ARG A 18 -6.663 -5.195 4.394 1.00 12.41 C ATOM 253 CG ARG A 18 -7.645 -5.018 5.541 1.00 31.13 C ATOM 254 CD ARG A 18 -8.672 -6.139 5.573 1.00 0.43 C ATOM 255 NE ARG A 18 -9.287 -6.281 6.890 1.00 12.32 N ATOM 256 CZ ARG A 18 -10.203 -5.445 7.367 1.00 2.12 C ATOM 257 NH1 ARG A 18 -10.608 -4.414 6.638 1.00 10.43 N ATOM 258 NH2 ARG A 18 -10.716 -5.640 8.575 1.00 23.54 N ATOM 0 H ARG A 18 -4.455 -3.951 4.236 1.00 73.40 H new ATOM 0 HA ARG A 18 -5.414 -6.210 5.818 1.00 22.01 H new ATOM 0 HB2 ARG A 18 -6.499 -4.230 3.915 1.00 12.41 H new ATOM 0 HB3 ARG A 18 -7.107 -5.851 3.645 1.00 12.41 H new ATOM 0 HG2 ARG A 18 -7.102 -4.993 6.486 1.00 31.13 H new ATOM 0 HG3 ARG A 18 -8.154 -4.059 5.441 1.00 31.13 H new ATOM 0 HD2 ARG A 18 -9.446 -5.943 4.831 1.00 0.43 H new ATOM 0 HD3 ARG A 18 -8.193 -7.077 5.294 1.00 0.43 H new ATOM 0 HE ARG A 18 -8.998 -7.065 7.475 1.00 12.32 H new ATOM 0 HH11 ARG A 18 -10.216 -4.261 5.709 1.00 10.43 H new ATOM 0 HH12 ARG A 18 -11.311 -3.774 7.007 1.00 10.43 H new ATOM 0 HH21 ARG A 18 -10.407 -6.432 9.138 1.00 23.54 H new ATOM 0 HH22 ARG A 18 -11.419 -4.998 8.940 1.00 23.54 H new ATOM 272 N ILE A 19 -4.353 -6.459 2.707 1.00 41.54 N ATOM 273 CA ILE A 19 -3.901 -7.405 1.694 1.00 73.24 C ATOM 274 C ILE A 19 -2.764 -8.273 2.221 1.00 3.31 C ATOM 275 O ILE A 19 -1.834 -7.777 2.857 1.00 3.45 O ATOM 276 CB ILE A 19 -3.431 -6.682 0.417 1.00 31.01 C ATOM 277 CG1 ILE A 19 -4.558 -5.819 -0.151 1.00 34.05 C ATOM 278 CG2 ILE A 19 -2.956 -7.691 -0.618 1.00 52.12 C ATOM 279 CD1 ILE A 19 -4.085 -4.493 -0.703 1.00 52.11 C ATOM 0 H ILE A 19 -4.225 -5.479 2.456 1.00 41.54 H new ATOM 0 HA ILE A 19 -4.755 -8.037 1.450 1.00 73.24 H new ATOM 0 HB ILE A 19 -2.595 -6.031 0.673 1.00 31.01 H new ATOM 0 HG12 ILE A 19 -5.065 -6.372 -0.942 1.00 34.05 H new ATOM 0 HG13 ILE A 19 -5.294 -5.636 0.632 1.00 34.05 H new ATOM 0 HG21 ILE A 19 -2.627 -7.165 -1.514 1.00 52.12 H new ATOM 0 HG22 ILE A 19 -2.126 -8.267 -0.210 1.00 52.12 H new ATOM 0 HG23 ILE A 19 -3.775 -8.364 -0.872 1.00 52.12 H new ATOM 0 HD11 ILE A 19 -4.938 -3.934 -1.089 1.00 52.11 H new ATOM 0 HD12 ILE A 19 -3.604 -3.920 0.090 1.00 52.11 H new ATOM 0 HD13 ILE A 19 -3.372 -4.668 -1.508 1.00 52.11 H new ATOM 291 N ARG A 20 -2.843 -9.572 1.951 1.00 75.34 N ATOM 292 CA ARG A 20 -1.821 -10.509 2.397 1.00 21.24 C ATOM 293 C ARG A 20 -0.786 -10.749 1.302 1.00 71.01 C ATOM 294 O ARG A 20 -0.999 -10.388 0.143 1.00 22.13 O ATOM 295 CB ARG A 20 -2.460 -11.838 2.808 1.00 14.42 C ATOM 296 CG ARG A 20 -1.801 -12.483 4.016 1.00 24.22 C ATOM 297 CD ARG A 20 -1.037 -13.740 3.628 1.00 40.21 C ATOM 298 NE ARG A 20 0.402 -13.588 3.823 1.00 40.11 N ATOM 299 CZ ARG A 20 1.283 -14.552 3.575 1.00 13.53 C ATOM 300 NH1 ARG A 20 0.873 -15.729 3.126 1.00 13.22 N ATOM 301 NH2 ARG A 20 2.577 -14.337 3.778 1.00 75.23 N ATOM 0 H ARG A 20 -3.605 -9.999 1.425 1.00 75.34 H new ATOM 0 HA ARG A 20 -1.318 -10.073 3.260 1.00 21.24 H new ATOM 0 HB2 ARG A 20 -3.515 -11.672 3.026 1.00 14.42 H new ATOM 0 HB3 ARG A 20 -2.413 -12.529 1.967 1.00 14.42 H new ATOM 0 HG2 ARG A 20 -1.120 -11.772 4.484 1.00 24.22 H new ATOM 0 HG3 ARG A 20 -2.561 -12.732 4.757 1.00 24.22 H new ATOM 0 HD2 ARG A 20 -1.396 -14.580 4.222 1.00 40.21 H new ATOM 0 HD3 ARG A 20 -1.238 -13.979 2.584 1.00 40.21 H new ATOM 0 HE ARG A 20 0.750 -12.694 4.168 1.00 40.11 H new ATOM 0 HH11 ARG A 20 -0.121 -15.897 2.970 1.00 13.22 H new ATOM 0 HH12 ARG A 20 1.551 -16.467 2.936 1.00 13.22 H new ATOM 0 HH21 ARG A 20 2.895 -13.432 4.124 1.00 75.23 H new ATOM 0 HH22 ARG A 20 3.253 -15.077 3.588 1.00 75.23 H new ATOM 315 N LEU A 21 0.333 -11.358 1.675 1.00 32.32 N ATOM 316 CA LEU A 21 1.402 -11.645 0.724 1.00 72.40 C ATOM 317 C LEU A 21 1.099 -12.913 -0.069 1.00 21.15 C ATOM 318 O LEU A 21 1.449 -13.020 -1.244 1.00 11.01 O ATOM 319 CB LEU A 21 2.736 -11.794 1.456 1.00 23.24 C ATOM 320 CG LEU A 21 3.128 -10.641 2.379 1.00 3.55 C ATOM 321 CD1 LEU A 21 3.939 -11.153 3.560 1.00 40.11 C ATOM 322 CD2 LEU A 21 3.909 -9.584 1.612 1.00 24.42 C ATOM 0 H LEU A 21 0.525 -11.663 2.629 1.00 32.32 H new ATOM 0 HA LEU A 21 1.469 -10.810 0.027 1.00 72.40 H new ATOM 0 HB2 LEU A 21 2.703 -12.710 2.046 1.00 23.24 H new ATOM 0 HB3 LEU A 21 3.523 -11.921 0.713 1.00 23.24 H new ATOM 0 HG LEU A 21 2.216 -10.183 2.762 1.00 3.55 H new ATOM 0 HD11 LEU A 21 4.209 -10.317 4.206 1.00 40.11 H new ATOM 0 HD12 LEU A 21 3.345 -11.871 4.125 1.00 40.11 H new ATOM 0 HD13 LEU A 21 4.845 -11.638 3.196 1.00 40.11 H new ATOM 0 HD21 LEU A 21 4.179 -8.771 2.286 1.00 24.42 H new ATOM 0 HD22 LEU A 21 4.814 -10.029 1.199 1.00 24.42 H new ATOM 0 HD23 LEU A 21 3.294 -9.194 0.801 1.00 24.42 H new ATOM 334 N ARG A 22 0.444 -13.870 0.582 1.00 4.31 N ATOM 335 CA ARG A 22 0.094 -15.130 -0.063 1.00 4.33 C ATOM 336 C ARG A 22 -1.181 -15.711 0.540 1.00 23.24 C ATOM 337 O ARG A 22 -1.482 -15.522 1.719 1.00 73.24 O ATOM 338 CB ARG A 22 1.240 -16.133 0.074 1.00 5.02 C ATOM 339 CG ARG A 22 1.891 -16.499 -1.250 1.00 12.05 C ATOM 340 CD ARG A 22 1.859 -18.001 -1.490 1.00 13.51 C ATOM 341 NE ARG A 22 3.013 -18.456 -2.258 1.00 45.03 N ATOM 342 CZ ARG A 22 3.250 -19.732 -2.543 1.00 50.20 C ATOM 343 NH1 ARG A 22 2.416 -20.674 -2.125 1.00 52.55 N ATOM 344 NH2 ARG A 22 4.323 -20.068 -3.248 1.00 52.42 N ATOM 0 H ARG A 22 0.146 -13.796 1.555 1.00 4.31 H new ATOM 0 HA ARG A 22 -0.081 -14.933 -1.121 1.00 4.33 H new ATOM 0 HB2 ARG A 22 1.997 -15.718 0.739 1.00 5.02 H new ATOM 0 HB3 ARG A 22 0.863 -17.040 0.547 1.00 5.02 H new ATOM 0 HG2 ARG A 22 1.376 -15.988 -2.064 1.00 12.05 H new ATOM 0 HG3 ARG A 22 2.924 -16.150 -1.258 1.00 12.05 H new ATOM 0 HD2 ARG A 22 1.833 -18.521 -0.532 1.00 13.51 H new ATOM 0 HD3 ARG A 22 0.944 -18.264 -2.020 1.00 13.51 H new ATOM 0 HE ARG A 22 3.674 -17.756 -2.595 1.00 45.03 H new ATOM 0 HH11 ARG A 22 1.590 -20.420 -1.583 1.00 52.55 H new ATOM 0 HH12 ARG A 22 2.600 -21.653 -2.345 1.00 52.55 H new ATOM 0 HH21 ARG A 22 4.967 -19.346 -3.572 1.00 52.42 H new ATOM 0 HH22 ARG A 22 4.504 -21.048 -3.466 1.00 52.42 H new ATOM 358 N PRO A 23 -1.949 -16.437 -0.286 1.00 21.41 N ATOM 359 CA PRO A 23 -3.204 -17.062 0.144 1.00 61.43 C ATOM 360 C PRO A 23 -2.974 -18.222 1.106 1.00 0.33 C ATOM 361 O PRO A 23 -3.818 -18.515 1.953 1.00 62.22 O ATOM 362 CB PRO A 23 -3.814 -17.568 -1.165 1.00 54.25 C ATOM 363 CG PRO A 23 -2.651 -17.764 -2.076 1.00 4.44 C ATOM 364 CD PRO A 23 -1.651 -16.704 -1.703 1.00 21.32 C ATOM 0 HA PRO A 23 -3.842 -16.364 0.687 1.00 61.43 H new ATOM 0 HB2 PRO A 23 -4.359 -18.500 -1.013 1.00 54.25 H new ATOM 0 HB3 PRO A 23 -4.522 -16.848 -1.576 1.00 54.25 H new ATOM 0 HG2 PRO A 23 -2.226 -18.761 -1.958 1.00 4.44 H new ATOM 0 HG3 PRO A 23 -2.952 -17.667 -3.119 1.00 4.44 H new ATOM 0 HD2 PRO A 23 -0.627 -17.052 -1.840 1.00 21.32 H new ATOM 0 HD3 PRO A 23 -1.768 -15.809 -2.314 1.00 21.32 H new ATOM 372 N GLY A 24 -1.826 -18.878 0.973 1.00 63.24 N ATOM 373 CA GLY A 24 -1.505 -19.998 1.839 1.00 71.13 C ATOM 374 C GLY A 24 -1.243 -19.569 3.268 1.00 52.12 C ATOM 375 O GLY A 24 -1.331 -20.376 4.193 1.00 51.13 O ATOM 0 H GLY A 24 -1.111 -18.654 0.280 1.00 63.24 H new ATOM 0 HA2 GLY A 24 -2.327 -20.713 1.823 1.00 71.13 H new ATOM 0 HA3 GLY A 24 -0.626 -20.513 1.451 1.00 71.13 H new ATOM 379 N GLY A 25 -0.916 -18.293 3.451 1.00 31.41 N ATOM 380 CA GLY A 25 -0.642 -17.781 4.781 1.00 55.11 C ATOM 381 C GLY A 25 -1.598 -16.677 5.185 1.00 15.13 C ATOM 382 O GLY A 25 -2.662 -16.514 4.585 1.00 2.32 O ATOM 0 H GLY A 25 -0.836 -17.605 2.702 1.00 31.41 H new ATOM 0 HA2 GLY A 25 -0.708 -18.596 5.502 1.00 55.11 H new ATOM 0 HA3 GLY A 25 0.380 -17.404 4.819 1.00 55.11 H new ATOM 386 N LYS A 26 -1.223 -15.915 6.208 1.00 75.34 N ATOM 387 CA LYS A 26 -2.054 -14.821 6.693 1.00 12.44 C ATOM 388 C LYS A 26 -1.198 -13.628 7.105 1.00 40.53 C ATOM 389 O LYS A 26 -1.605 -12.813 7.933 1.00 74.13 O ATOM 390 CB LYS A 26 -2.905 -15.285 7.879 1.00 44.54 C ATOM 391 CG LYS A 26 -4.399 -15.230 7.614 1.00 54.24 C ATOM 392 CD LYS A 26 -4.966 -13.850 7.900 1.00 13.24 C ATOM 393 CE LYS A 26 -5.301 -13.681 9.375 1.00 53.14 C ATOM 394 NZ LYS A 26 -6.451 -14.534 9.783 1.00 14.14 N ATOM 0 H LYS A 26 -0.347 -16.036 6.717 1.00 75.34 H new ATOM 0 HA LYS A 26 -2.712 -14.511 5.881 1.00 12.44 H new ATOM 0 HB2 LYS A 26 -2.628 -16.307 8.137 1.00 44.54 H new ATOM 0 HB3 LYS A 26 -2.675 -14.664 8.745 1.00 44.54 H new ATOM 0 HG2 LYS A 26 -4.595 -15.497 6.576 1.00 54.24 H new ATOM 0 HG3 LYS A 26 -4.907 -15.969 8.234 1.00 54.24 H new ATOM 0 HD2 LYS A 26 -4.245 -13.090 7.600 1.00 13.24 H new ATOM 0 HD3 LYS A 26 -5.863 -13.693 7.301 1.00 13.24 H new ATOM 0 HE2 LYS A 26 -4.429 -13.935 9.977 1.00 53.14 H new ATOM 0 HE3 LYS A 26 -5.534 -12.636 9.577 1.00 53.14 H new ATOM 0 HZ1 LYS A 26 -6.875 -14.153 10.653 1.00 14.14 H new ATOM 0 HZ2 LYS A 26 -7.164 -14.542 9.025 1.00 14.14 H new ATOM 0 HZ3 LYS A 26 -6.119 -15.504 9.956 1.00 14.14 H new ATOM 408 N LYS A 27 -0.008 -13.529 6.520 1.00 30.23 N ATOM 409 CA LYS A 27 0.906 -12.435 6.824 1.00 51.04 C ATOM 410 C LYS A 27 0.628 -11.230 5.930 1.00 30.21 C ATOM 411 O LYS A 27 1.084 -11.172 4.789 1.00 63.45 O ATOM 412 CB LYS A 27 2.357 -12.891 6.647 1.00 55.33 C ATOM 413 CG LYS A 27 3.268 -12.474 7.788 1.00 12.51 C ATOM 414 CD LYS A 27 4.562 -11.865 7.273 1.00 12.33 C ATOM 415 CE LYS A 27 5.667 -12.905 7.178 1.00 65.13 C ATOM 416 NZ LYS A 27 7.007 -12.275 7.012 1.00 21.42 N ATOM 0 H LYS A 27 0.345 -14.194 5.832 1.00 30.23 H new ATOM 0 HA LYS A 27 0.748 -12.140 7.861 1.00 51.04 H new ATOM 0 HB2 LYS A 27 2.379 -13.977 6.554 1.00 55.33 H new ATOM 0 HB3 LYS A 27 2.746 -12.483 5.714 1.00 55.33 H new ATOM 0 HG2 LYS A 27 2.752 -11.753 8.422 1.00 12.51 H new ATOM 0 HG3 LYS A 27 3.494 -13.340 8.410 1.00 12.51 H new ATOM 0 HD2 LYS A 27 4.392 -11.422 6.292 1.00 12.33 H new ATOM 0 HD3 LYS A 27 4.875 -11.059 7.936 1.00 12.33 H new ATOM 0 HE2 LYS A 27 5.664 -13.522 8.077 1.00 65.13 H new ATOM 0 HE3 LYS A 27 5.470 -13.568 6.336 1.00 65.13 H new ATOM 0 HZ1 LYS A 27 7.734 -13.016 6.951 1.00 21.42 H new ATOM 0 HZ2 LYS A 27 7.018 -11.707 6.141 1.00 21.42 H new ATOM 0 HZ3 LYS A 27 7.206 -11.662 7.828 1.00 21.42 H new ATOM 430 N LYS A 28 -0.123 -10.269 6.457 1.00 60.31 N ATOM 431 CA LYS A 28 -0.460 -9.064 5.709 1.00 3.35 C ATOM 432 C LYS A 28 0.800 -8.305 5.303 1.00 34.15 C ATOM 433 O LYS A 28 1.878 -8.532 5.855 1.00 34.32 O ATOM 434 CB LYS A 28 -1.367 -8.157 6.544 1.00 21.25 C ATOM 435 CG LYS A 28 -2.726 -8.767 6.844 1.00 40.40 C ATOM 436 CD LYS A 28 -3.136 -8.531 8.288 1.00 33.33 C ATOM 437 CE LYS A 28 -3.977 -9.681 8.823 1.00 21.01 C ATOM 438 NZ LYS A 28 -5.433 -9.370 8.779 1.00 22.11 N ATOM 0 H LYS A 28 -0.510 -10.301 7.400 1.00 60.31 H new ATOM 0 HA LYS A 28 -0.990 -9.364 4.805 1.00 3.35 H new ATOM 0 HB2 LYS A 28 -0.867 -7.923 7.484 1.00 21.25 H new ATOM 0 HB3 LYS A 28 -1.510 -7.214 6.016 1.00 21.25 H new ATOM 0 HG2 LYS A 28 -3.474 -8.337 6.178 1.00 40.40 H new ATOM 0 HG3 LYS A 28 -2.698 -9.838 6.643 1.00 40.40 H new ATOM 0 HD2 LYS A 28 -2.246 -8.412 8.905 1.00 33.33 H new ATOM 0 HD3 LYS A 28 -3.701 -7.601 8.360 1.00 33.33 H new ATOM 0 HE2 LYS A 28 -3.779 -10.579 8.237 1.00 21.01 H new ATOM 0 HE3 LYS A 28 -3.683 -9.899 9.850 1.00 21.01 H new ATOM 0 HZ1 LYS A 28 -5.972 -10.178 9.152 1.00 22.11 H new ATOM 0 HZ2 LYS A 28 -5.626 -8.528 9.358 1.00 22.11 H new ATOM 0 HZ3 LYS A 28 -5.719 -9.187 7.796 1.00 22.11 H new ATOM 452 N TYR A 29 0.657 -7.404 4.339 1.00 50.33 N ATOM 453 CA TYR A 29 1.784 -6.612 3.859 1.00 1.44 C ATOM 454 C TYR A 29 2.334 -5.720 4.968 1.00 13.30 C ATOM 455 O TYR A 29 1.578 -5.171 5.771 1.00 62.13 O ATOM 456 CB TYR A 29 1.362 -5.758 2.664 1.00 54.52 C ATOM 457 CG TYR A 29 1.605 -6.422 1.328 1.00 0.01 C ATOM 458 CD1 TYR A 29 2.831 -6.303 0.684 1.00 11.44 C ATOM 459 CD2 TYR A 29 0.610 -7.169 0.709 1.00 45.22 C ATOM 460 CE1 TYR A 29 3.059 -6.908 -0.537 1.00 14.12 C ATOM 461 CE2 TYR A 29 0.830 -7.779 -0.511 1.00 52.11 C ATOM 462 CZ TYR A 29 2.054 -7.645 -1.130 1.00 4.12 C ATOM 463 OH TYR A 29 2.276 -8.250 -2.345 1.00 51.05 O ATOM 0 H TYR A 29 -0.228 -7.203 3.874 1.00 50.33 H new ATOM 0 HA TYR A 29 2.571 -7.298 3.546 1.00 1.44 H new ATOM 0 HB2 TYR A 29 0.302 -5.520 2.754 1.00 54.52 H new ATOM 0 HB3 TYR A 29 1.904 -4.813 2.694 1.00 54.52 H new ATOM 0 HD1 TYR A 29 3.619 -5.727 1.146 1.00 11.44 H new ATOM 0 HD2 TYR A 29 -0.351 -7.274 1.190 1.00 45.22 H new ATOM 0 HE1 TYR A 29 4.017 -6.805 -1.024 1.00 14.12 H new ATOM 0 HE2 TYR A 29 0.047 -8.358 -0.977 1.00 52.11 H new ATOM 0 HH TYR A 29 1.675 -9.018 -2.443 1.00 51.05 H new ATOM 473 N ARG A 30 3.655 -5.578 5.005 1.00 13.20 N ATOM 474 CA ARG A 30 4.307 -4.753 6.015 1.00 62.23 C ATOM 475 C ARG A 30 4.843 -3.463 5.399 1.00 32.32 C ATOM 476 O ARG A 30 4.312 -2.971 4.404 1.00 52.55 O ATOM 477 CB ARG A 30 5.448 -5.527 6.678 1.00 74.55 C ATOM 478 CG ARG A 30 5.543 -5.303 8.178 1.00 64.33 C ATOM 479 CD ARG A 30 6.983 -5.380 8.661 1.00 23.32 C ATOM 480 NE ARG A 30 7.252 -4.430 9.737 1.00 15.12 N ATOM 481 CZ ARG A 30 8.368 -4.430 10.457 1.00 51.30 C ATOM 482 NH1 ARG A 30 9.316 -5.325 10.216 1.00 74.12 N ATOM 483 NH2 ARG A 30 8.538 -3.532 11.419 1.00 30.22 N ATOM 0 H ARG A 30 4.295 -6.024 4.347 1.00 13.20 H new ATOM 0 HA ARG A 30 3.566 -4.494 6.771 1.00 62.23 H new ATOM 0 HB2 ARG A 30 5.314 -6.591 6.486 1.00 74.55 H new ATOM 0 HB3 ARG A 30 6.391 -5.236 6.215 1.00 74.55 H new ATOM 0 HG2 ARG A 30 5.125 -4.328 8.429 1.00 64.33 H new ATOM 0 HG3 ARG A 30 4.943 -6.050 8.698 1.00 64.33 H new ATOM 0 HD2 ARG A 30 7.195 -6.391 9.009 1.00 23.32 H new ATOM 0 HD3 ARG A 30 7.656 -5.183 7.827 1.00 23.32 H new ATOM 0 HE ARG A 30 6.543 -3.727 9.947 1.00 15.12 H new ATOM 0 HH11 ARG A 30 9.189 -6.016 9.476 1.00 74.12 H new ATOM 0 HH12 ARG A 30 10.172 -5.323 10.770 1.00 74.12 H new ATOM 0 HH21 ARG A 30 7.811 -2.841 11.606 1.00 30.22 H new ATOM 0 HH22 ARG A 30 9.395 -3.533 11.972 1.00 30.22 H new ATOM 497 N LEU A 31 5.898 -2.922 5.998 1.00 23.51 N ATOM 498 CA LEU A 31 6.508 -1.690 5.509 1.00 34.22 C ATOM 499 C LEU A 31 7.759 -1.989 4.691 1.00 31.32 C ATOM 500 O LEU A 31 8.092 -1.259 3.757 1.00 71.41 O ATOM 501 CB LEU A 31 6.857 -0.772 6.682 1.00 5.10 C ATOM 502 CG LEU A 31 6.088 0.547 6.754 1.00 14.40 C ATOM 503 CD1 LEU A 31 4.687 0.319 7.298 1.00 33.10 C ATOM 504 CD2 LEU A 31 6.837 1.556 7.612 1.00 45.43 C ATOM 0 H LEU A 31 6.349 -3.317 6.823 1.00 23.51 H new ATOM 0 HA LEU A 31 5.788 -1.187 4.864 1.00 34.22 H new ATOM 0 HB2 LEU A 31 6.687 -1.320 7.609 1.00 5.10 H new ATOM 0 HB3 LEU A 31 7.922 -0.546 6.636 1.00 5.10 H new ATOM 0 HG LEU A 31 6.003 0.951 5.745 1.00 14.40 H new ATOM 0 HD11 LEU A 31 4.155 1.269 7.342 1.00 33.10 H new ATOM 0 HD12 LEU A 31 4.150 -0.368 6.644 1.00 33.10 H new ATOM 0 HD13 LEU A 31 4.750 -0.108 8.299 1.00 33.10 H new ATOM 0 HD21 LEU A 31 6.274 2.489 7.652 1.00 45.43 H new ATOM 0 HD22 LEU A 31 6.954 1.160 8.621 1.00 45.43 H new ATOM 0 HD23 LEU A 31 7.820 1.743 7.179 1.00 45.43 H new ATOM 516 N LYS A 32 8.448 -3.067 5.046 1.00 22.40 N ATOM 517 CA LYS A 32 9.663 -3.467 4.343 1.00 14.30 C ATOM 518 C LYS A 32 9.380 -3.706 2.863 1.00 14.22 C ATOM 519 O LYS A 32 10.186 -3.354 2.002 1.00 25.12 O ATOM 520 CB LYS A 32 10.248 -4.732 4.972 1.00 4.03 C ATOM 521 CG LYS A 32 10.946 -4.484 6.299 1.00 61.13 C ATOM 522 CD LYS A 32 12.254 -3.734 6.109 1.00 31.44 C ATOM 523 CE LYS A 32 12.997 -3.568 7.426 1.00 30.41 C ATOM 524 NZ LYS A 32 13.392 -2.153 7.665 1.00 50.31 N ATOM 0 H LYS A 32 8.186 -3.681 5.817 1.00 22.40 H new ATOM 0 HA LYS A 32 10.388 -2.657 4.431 1.00 14.30 H new ATOM 0 HB2 LYS A 32 9.448 -5.457 5.122 1.00 4.03 H new ATOM 0 HB3 LYS A 32 10.957 -5.179 4.276 1.00 4.03 H new ATOM 0 HG2 LYS A 32 10.290 -3.912 6.955 1.00 61.13 H new ATOM 0 HG3 LYS A 32 11.140 -5.436 6.793 1.00 61.13 H new ATOM 0 HD2 LYS A 32 12.883 -4.272 5.400 1.00 31.44 H new ATOM 0 HD3 LYS A 32 12.053 -2.754 5.677 1.00 31.44 H new ATOM 0 HE2 LYS A 32 12.366 -3.912 8.245 1.00 30.41 H new ATOM 0 HE3 LYS A 32 13.887 -4.198 7.423 1.00 30.41 H new ATOM 0 HZ1 LYS A 32 13.896 -2.082 8.572 1.00 50.31 H new ATOM 0 HZ2 LYS A 32 14.015 -1.832 6.897 1.00 50.31 H new ATOM 0 HZ3 LYS A 32 12.541 -1.555 7.693 1.00 50.31 H new ATOM 538 N HIS A 33 8.229 -4.305 2.574 1.00 70.51 N ATOM 539 CA HIS A 33 7.839 -4.590 1.197 1.00 64.15 C ATOM 540 C HIS A 33 7.727 -3.301 0.388 1.00 22.01 C ATOM 541 O HIS A 33 8.221 -3.297 -0.740 1.00 11.50 O ATOM 542 CB HIS A 33 6.509 -5.342 1.167 1.00 54.04 C ATOM 543 CG HIS A 33 6.487 -6.557 2.042 1.00 65.45 C ATOM 544 ND1 HIS A 33 5.730 -6.644 3.191 1.00 22.24 N ATOM 545 CD2 HIS A 33 7.136 -7.740 1.930 1.00 35.42 C ATOM 546 CE1 HIS A 33 5.915 -7.827 3.749 1.00 60.23 C ATOM 547 NE2 HIS A 33 6.763 -8.513 3.002 1.00 53.40 N ATOM 0 H HIS A 33 7.550 -4.602 3.275 1.00 70.51 H new ATOM 0 HA HIS A 33 8.611 -5.215 0.748 1.00 64.15 H new ATOM 0 HB2 HIS A 33 5.712 -4.666 1.478 1.00 54.04 H new ATOM 0 HB3 HIS A 33 6.293 -5.640 0.141 1.00 54.04 H new ATOM 0 HD2 HIS A 33 7.820 -8.023 1.144 1.00 35.42 H new ATOM 0 HE1 HIS A 33 5.452 -8.175 4.661 1.00 60.23 H new ATOM 0 HE2 HIS A 33 7.087 -9.461 3.191 1.00 53.40 H new ATOM 555 N ILE A 34 7.114 -2.246 0.913 1.00 13.21 N ATOM 556 CA ILE A 34 6.983 -0.995 0.178 1.00 43.43 C ATOM 557 C ILE A 34 8.343 -0.343 -0.045 1.00 24.21 C ATOM 558 O ILE A 34 8.701 0.004 -1.170 1.00 10.13 O ATOM 559 CB ILE A 34 6.066 -0.001 0.916 1.00 61.43 C ATOM 560 CG1 ILE A 34 4.658 -0.583 1.058 1.00 12.25 C ATOM 561 CG2 ILE A 34 6.024 1.329 0.178 1.00 32.43 C ATOM 562 CD1 ILE A 34 3.684 0.353 1.740 1.00 21.54 C ATOM 0 H ILE A 34 6.700 -2.233 1.845 1.00 13.21 H new ATOM 0 HA ILE A 34 6.538 -1.242 -0.786 1.00 43.43 H new ATOM 0 HB ILE A 34 6.470 0.172 1.914 1.00 61.43 H new ATOM 0 HG12 ILE A 34 4.276 -0.834 0.069 1.00 12.25 H new ATOM 0 HG13 ILE A 34 4.713 -1.513 1.624 1.00 12.25 H new ATOM 0 HG21 ILE A 34 5.372 2.021 0.712 1.00 32.43 H new ATOM 0 HG22 ILE A 34 7.029 1.747 0.123 1.00 32.43 H new ATOM 0 HG23 ILE A 34 5.640 1.174 -0.830 1.00 32.43 H new ATOM 0 HD11 ILE A 34 2.706 -0.125 1.807 1.00 21.54 H new ATOM 0 HD12 ILE A 34 4.044 0.585 2.743 1.00 21.54 H new ATOM 0 HD13 ILE A 34 3.599 1.274 1.163 1.00 21.54 H new ATOM 574 N VAL A 35 9.101 -0.183 1.036 1.00 22.31 N ATOM 575 CA VAL A 35 10.424 0.424 0.959 1.00 23.14 C ATOM 576 C VAL A 35 11.346 -0.382 0.050 1.00 41.32 C ATOM 577 O VAL A 35 12.142 0.183 -0.701 1.00 33.11 O ATOM 578 CB VAL A 35 11.071 0.540 2.353 1.00 52.22 C ATOM 579 CG1 VAL A 35 12.455 1.161 2.249 1.00 21.03 C ATOM 580 CG2 VAL A 35 10.182 1.349 3.286 1.00 41.42 C ATOM 0 H VAL A 35 8.821 -0.466 1.975 1.00 22.31 H new ATOM 0 HA VAL A 35 10.290 1.423 0.544 1.00 23.14 H new ATOM 0 HB VAL A 35 11.180 -0.461 2.770 1.00 52.22 H new ATOM 0 HG11 VAL A 35 12.896 1.235 3.243 1.00 21.03 H new ATOM 0 HG12 VAL A 35 13.087 0.537 1.617 1.00 21.03 H new ATOM 0 HG13 VAL A 35 12.375 2.157 1.813 1.00 21.03 H new ATOM 0 HG21 VAL A 35 10.654 1.421 4.266 1.00 41.42 H new ATOM 0 HG22 VAL A 35 10.040 2.349 2.877 1.00 41.42 H new ATOM 0 HG23 VAL A 35 9.214 0.857 3.384 1.00 41.42 H new ATOM 590 N TRP A 36 11.232 -1.703 0.122 1.00 72.12 N ATOM 591 CA TRP A 36 12.055 -2.586 -0.697 1.00 21.23 C ATOM 592 C TRP A 36 11.655 -2.497 -2.165 1.00 22.45 C ATOM 593 O TRP A 36 12.476 -2.717 -3.055 1.00 64.11 O ATOM 594 CB TRP A 36 11.930 -4.031 -0.208 1.00 42.23 C ATOM 595 CG TRP A 36 12.684 -5.011 -1.055 1.00 13.35 C ATOM 596 CD1 TRP A 36 13.903 -5.563 -0.781 1.00 1.02 C ATOM 597 CD2 TRP A 36 12.269 -5.555 -2.312 1.00 13.52 C ATOM 598 NE1 TRP A 36 14.271 -6.415 -1.793 1.00 30.42 N ATOM 599 CE2 TRP A 36 13.285 -6.429 -2.744 1.00 61.44 C ATOM 600 CE3 TRP A 36 11.137 -5.389 -3.115 1.00 40.42 C ATOM 601 CZ2 TRP A 36 13.201 -7.133 -3.942 1.00 42.04 C ATOM 602 CZ3 TRP A 36 11.056 -6.088 -4.304 1.00 13.52 C ATOM 603 CH2 TRP A 36 12.082 -6.951 -4.708 1.00 42.23 C ATOM 0 H TRP A 36 10.579 -2.186 0.738 1.00 72.12 H new ATOM 0 HA TRP A 36 13.093 -2.266 -0.603 1.00 21.23 H new ATOM 0 HB2 TRP A 36 12.294 -4.093 0.818 1.00 42.23 H new ATOM 0 HB3 TRP A 36 10.877 -4.311 -0.190 1.00 42.23 H new ATOM 0 HD1 TRP A 36 14.491 -5.359 0.102 1.00 1.02 H new ATOM 0 HE1 TRP A 36 15.138 -6.951 -1.831 1.00 30.42 H new ATOM 0 HE3 TRP A 36 10.340 -4.726 -2.811 1.00 40.42 H new ATOM 0 HZ2 TRP A 36 13.991 -7.799 -4.256 1.00 42.04 H new ATOM 0 HZ3 TRP A 36 10.186 -5.967 -4.933 1.00 13.52 H new ATOM 0 HH2 TRP A 36 11.988 -7.484 -5.643 1.00 42.23 H new ATOM 614 N ALA A 37 10.391 -2.173 -2.411 1.00 41.52 N ATOM 615 CA ALA A 37 9.884 -2.052 -3.773 1.00 0.02 C ATOM 616 C ALA A 37 10.453 -0.818 -4.463 1.00 41.41 C ATOM 617 O ALA A 37 10.943 -0.895 -5.589 1.00 63.12 O ATOM 618 CB ALA A 37 8.363 -2.001 -3.767 1.00 72.40 C ATOM 0 H ALA A 37 9.698 -1.989 -1.685 1.00 41.52 H new ATOM 0 HA ALA A 37 10.206 -2.930 -4.333 1.00 0.02 H new ATOM 0 HB1 ALA A 37 7.998 -1.911 -4.790 1.00 72.40 H new ATOM 0 HB2 ALA A 37 7.970 -2.915 -3.321 1.00 72.40 H new ATOM 0 HB3 ALA A 37 8.030 -1.141 -3.186 1.00 72.40 H new ATOM 624 N ALA A 38 10.385 0.321 -3.781 1.00 22.45 N ATOM 625 CA ALA A 38 10.896 1.571 -4.329 1.00 51.12 C ATOM 626 C ALA A 38 12.401 1.496 -4.557 1.00 2.32 C ATOM 627 O ALA A 38 12.912 1.991 -5.562 1.00 34.15 O ATOM 628 CB ALA A 38 10.557 2.730 -3.403 1.00 3.22 C ATOM 0 H ALA A 38 9.981 0.403 -2.848 1.00 22.45 H new ATOM 0 HA ALA A 38 10.417 1.739 -5.294 1.00 51.12 H new ATOM 0 HB1 ALA A 38 10.945 3.658 -3.824 1.00 3.22 H new ATOM 0 HB2 ALA A 38 9.475 2.805 -3.295 1.00 3.22 H new ATOM 0 HB3 ALA A 38 11.008 2.559 -2.426 1.00 3.22 H new ATOM 634 N ASN A 39 13.108 0.876 -3.618 1.00 1.14 N ATOM 635 CA ASN A 39 14.556 0.738 -3.717 1.00 53.30 C ATOM 636 C ASN A 39 14.936 -0.230 -4.834 1.00 31.15 C ATOM 637 O ASN A 39 15.964 -0.066 -5.489 1.00 41.24 O ATOM 638 CB ASN A 39 15.135 0.252 -2.386 1.00 72.13 C ATOM 639 CG ASN A 39 15.294 1.374 -1.380 1.00 44.21 C ATOM 640 OD1 ASN A 39 15.226 2.552 -1.732 1.00 42.00 O ATOM 641 ND2 ASN A 39 15.509 1.014 -0.120 1.00 51.22 N ATOM 0 H ASN A 39 12.701 0.461 -2.780 1.00 1.14 H new ATOM 0 HA ASN A 39 14.974 1.717 -3.952 1.00 53.30 H new ATOM 0 HB2 ASN A 39 14.484 -0.516 -1.969 1.00 72.13 H new ATOM 0 HB3 ASN A 39 16.105 -0.213 -2.563 1.00 72.13 H new ATOM 0 HD21 ASN A 39 15.625 1.726 0.601 1.00 51.22 H new ATOM 0 HD22 ASN A 39 15.558 0.025 0.127 1.00 51.22 H new ATOM 648 N LYS A 40 14.098 -1.239 -5.045 1.00 34.21 N ATOM 649 CA LYS A 40 14.342 -2.233 -6.083 1.00 35.43 C ATOM 650 C LYS A 40 14.190 -1.619 -7.471 1.00 11.45 C ATOM 651 O LYS A 40 14.918 -1.970 -8.399 1.00 70.43 O ATOM 652 CB LYS A 40 13.379 -3.412 -5.926 1.00 52.33 C ATOM 653 CG LYS A 40 13.724 -4.601 -6.806 1.00 13.41 C ATOM 654 CD LYS A 40 14.900 -5.384 -6.248 1.00 24.20 C ATOM 655 CE LYS A 40 16.183 -5.079 -7.007 1.00 13.30 C ATOM 656 NZ LYS A 40 17.362 -5.017 -6.100 1.00 52.41 N ATOM 0 H LYS A 40 13.243 -1.390 -4.510 1.00 34.21 H new ATOM 0 HA LYS A 40 15.366 -2.592 -5.974 1.00 35.43 H new ATOM 0 HB2 LYS A 40 13.376 -3.731 -4.884 1.00 52.33 H new ATOM 0 HB3 LYS A 40 12.368 -3.078 -6.161 1.00 52.33 H new ATOM 0 HG2 LYS A 40 12.857 -5.256 -6.891 1.00 13.41 H new ATOM 0 HG3 LYS A 40 13.961 -4.254 -7.812 1.00 13.41 H new ATOM 0 HD2 LYS A 40 15.033 -5.141 -5.194 1.00 24.20 H new ATOM 0 HD3 LYS A 40 14.687 -6.452 -6.305 1.00 24.20 H new ATOM 0 HE2 LYS A 40 16.348 -5.845 -7.765 1.00 13.30 H new ATOM 0 HE3 LYS A 40 16.078 -4.129 -7.531 1.00 13.30 H new ATOM 0 HZ1 LYS A 40 18.216 -4.807 -6.655 1.00 52.41 H new ATOM 0 HZ2 LYS A 40 17.217 -4.269 -5.392 1.00 52.41 H new ATOM 0 HZ3 LYS A 40 17.478 -5.931 -5.618 1.00 52.41 H new ATOM 670 N LEU A 41 13.240 -0.700 -7.605 1.00 14.10 N ATOM 671 CA LEU A 41 12.993 -0.036 -8.880 1.00 11.34 C ATOM 672 C LEU A 41 14.205 0.786 -9.310 1.00 33.41 C ATOM 673 O LEU A 41 14.720 0.619 -10.415 1.00 72.03 O ATOM 674 CB LEU A 41 11.762 0.867 -8.778 1.00 0.44 C ATOM 675 CG LEU A 41 10.413 0.153 -8.688 1.00 52.11 C ATOM 676 CD1 LEU A 41 9.348 1.091 -8.141 1.00 33.25 C ATOM 677 CD2 LEU A 41 10.003 -0.385 -10.051 1.00 12.53 C ATOM 0 H LEU A 41 12.628 -0.398 -6.847 1.00 14.10 H new ATOM 0 HA LEU A 41 12.812 -0.804 -9.632 1.00 11.34 H new ATOM 0 HB2 LEU A 41 11.874 1.502 -7.899 1.00 0.44 H new ATOM 0 HB3 LEU A 41 11.745 1.525 -9.647 1.00 0.44 H new ATOM 0 HG LEU A 41 10.514 -0.688 -8.002 1.00 52.11 H new ATOM 0 HD11 LEU A 41 8.395 0.565 -8.084 1.00 33.25 H new ATOM 0 HD12 LEU A 41 9.637 1.428 -7.145 1.00 33.25 H new ATOM 0 HD13 LEU A 41 9.248 1.953 -8.801 1.00 33.25 H new ATOM 0 HD21 LEU A 41 9.041 -0.890 -9.968 1.00 12.53 H new ATOM 0 HD22 LEU A 41 9.920 0.440 -10.758 1.00 12.53 H new ATOM 0 HD23 LEU A 41 10.754 -1.091 -10.404 1.00 12.53 H new ATOM 689 N ASP A 42 14.656 1.671 -8.427 1.00 74.43 N ATOM 690 CA ASP A 42 15.810 2.516 -8.714 1.00 61.13 C ATOM 691 C ASP A 42 16.980 1.682 -9.226 1.00 20.05 C ATOM 692 O ASP A 42 17.637 2.050 -10.201 1.00 33.44 O ATOM 693 CB ASP A 42 16.226 3.288 -7.461 1.00 63.21 C ATOM 694 CG ASP A 42 15.789 4.739 -7.504 1.00 4.11 C ATOM 695 OD1 ASP A 42 14.587 4.991 -7.725 1.00 71.14 O ATOM 696 OD2 ASP A 42 16.651 5.623 -7.315 1.00 13.05 O ATOM 0 H ASP A 42 14.241 1.822 -7.508 1.00 74.43 H new ATOM 0 HA ASP A 42 15.527 3.226 -9.491 1.00 61.13 H new ATOM 0 HB2 ASP A 42 15.796 2.808 -6.582 1.00 63.21 H new ATOM 0 HB3 ASP A 42 17.309 3.241 -7.352 1.00 63.21 H new ATOM 701 N ARG A 43 17.235 0.560 -8.562 1.00 3.31 N ATOM 702 CA ARG A 43 18.328 -0.324 -8.948 1.00 62.42 C ATOM 703 C ARG A 43 18.112 -0.873 -10.356 1.00 44.22 C ATOM 704 O ARG A 43 18.906 -0.615 -11.262 1.00 32.44 O ATOM 705 CB ARG A 43 18.454 -1.480 -7.953 1.00 72.44 C ATOM 706 CG ARG A 43 19.853 -1.645 -7.384 1.00 45.32 C ATOM 707 CD ARG A 43 20.651 -2.683 -8.157 1.00 74.41 C ATOM 708 NE ARG A 43 21.623 -3.369 -7.310 1.00 12.44 N ATOM 709 CZ ARG A 43 22.639 -4.082 -7.784 1.00 53.35 C ATOM 710 NH1 ARG A 43 22.813 -4.201 -9.093 1.00 64.50 N ATOM 711 NH2 ARG A 43 23.482 -4.675 -6.950 1.00 32.25 N ATOM 0 H ARG A 43 16.700 0.241 -7.754 1.00 3.31 H new ATOM 0 HA ARG A 43 19.251 0.256 -8.940 1.00 62.42 H new ATOM 0 HB2 ARG A 43 17.754 -1.320 -7.133 1.00 72.44 H new ATOM 0 HB3 ARG A 43 18.160 -2.406 -8.447 1.00 72.44 H new ATOM 0 HG2 ARG A 43 20.374 -0.688 -7.414 1.00 45.32 H new ATOM 0 HG3 ARG A 43 19.788 -1.940 -6.337 1.00 45.32 H new ATOM 0 HD2 ARG A 43 19.969 -3.414 -8.592 1.00 74.41 H new ATOM 0 HD3 ARG A 43 21.169 -2.199 -8.985 1.00 74.41 H new ATOM 0 HE ARG A 43 21.516 -3.297 -6.298 1.00 12.44 H new ATOM 0 HH11 ARG A 43 22.167 -3.745 -9.737 1.00 64.50 H new ATOM 0 HH12 ARG A 43 23.593 -4.749 -9.456 1.00 64.50 H new ATOM 0 HH21 ARG A 43 23.351 -4.584 -5.943 1.00 32.25 H new ATOM 0 HH22 ARG A 43 24.261 -5.222 -7.316 1.00 32.25 H new ATOM 725 N PHE A 44 17.035 -1.629 -10.532 1.00 31.33 N ATOM 726 CA PHE A 44 16.715 -2.215 -11.829 1.00 12.22 C ATOM 727 C PHE A 44 16.788 -1.164 -12.933 1.00 34.20 C ATOM 728 O PHE A 44 17.363 -1.402 -13.994 1.00 41.23 O ATOM 729 CB PHE A 44 15.321 -2.844 -11.799 1.00 14.20 C ATOM 730 CG PHE A 44 15.316 -4.269 -11.325 1.00 70.24 C ATOM 731 CD1 PHE A 44 16.148 -5.210 -11.911 1.00 54.23 C ATOM 732 CD2 PHE A 44 14.480 -4.668 -10.296 1.00 15.25 C ATOM 733 CE1 PHE A 44 16.144 -6.522 -11.479 1.00 32.35 C ATOM 734 CE2 PHE A 44 14.472 -5.979 -9.858 1.00 24.25 C ATOM 735 CZ PHE A 44 15.307 -6.907 -10.449 1.00 54.22 C ATOM 0 H PHE A 44 16.368 -1.851 -9.793 1.00 31.33 H new ATOM 0 HA PHE A 44 17.451 -2.991 -12.041 1.00 12.22 H new ATOM 0 HB2 PHE A 44 14.678 -2.251 -11.149 1.00 14.20 H new ATOM 0 HB3 PHE A 44 14.890 -2.801 -12.799 1.00 14.20 H new ATOM 0 HD1 PHE A 44 16.807 -4.914 -12.714 1.00 54.23 H new ATOM 0 HD2 PHE A 44 13.826 -3.946 -9.830 1.00 15.25 H new ATOM 0 HE1 PHE A 44 16.795 -7.247 -11.946 1.00 32.35 H new ATOM 0 HE2 PHE A 44 13.814 -6.277 -9.055 1.00 24.25 H new ATOM 0 HZ PHE A 44 15.306 -7.931 -10.107 1.00 54.22 H new ATOM 745 N GLY A 45 16.199 0.000 -12.674 1.00 72.31 N ATOM 746 CA GLY A 45 16.207 1.070 -13.654 1.00 64.41 C ATOM 747 C GLY A 45 14.924 1.876 -13.643 1.00 1.52 C ATOM 748 O GLY A 45 14.829 2.914 -14.300 1.00 55.40 O ATOM 0 H GLY A 45 15.717 0.221 -11.803 1.00 72.31 H new ATOM 0 HA2 GLY A 45 17.050 1.732 -13.457 1.00 64.41 H new ATOM 0 HA3 GLY A 45 16.358 0.648 -14.647 1.00 64.41 H new ATOM 752 N LEU A 46 13.934 1.401 -12.895 1.00 44.04 N ATOM 753 CA LEU A 46 12.649 2.084 -12.802 1.00 31.11 C ATOM 754 C LEU A 46 12.660 3.113 -11.676 1.00 22.12 C ATOM 755 O LEU A 46 13.501 3.057 -10.778 1.00 72.55 O ATOM 756 CB LEU A 46 11.526 1.072 -12.573 1.00 23.34 C ATOM 757 CG LEU A 46 10.980 0.382 -13.823 1.00 34.45 C ATOM 758 CD1 LEU A 46 10.914 -1.124 -13.615 1.00 23.50 C ATOM 759 CD2 LEU A 46 9.606 0.932 -14.178 1.00 21.50 C ATOM 0 H LEU A 46 13.997 0.545 -12.344 1.00 44.04 H new ATOM 0 HA LEU A 46 12.473 2.605 -13.743 1.00 31.11 H new ATOM 0 HB2 LEU A 46 11.889 0.305 -11.888 1.00 23.34 H new ATOM 0 HB3 LEU A 46 10.701 1.581 -12.074 1.00 23.34 H new ATOM 0 HG LEU A 46 11.657 0.585 -14.652 1.00 34.45 H new ATOM 0 HD11 LEU A 46 10.523 -1.599 -14.515 1.00 23.50 H new ATOM 0 HD12 LEU A 46 11.913 -1.507 -13.408 1.00 23.50 H new ATOM 0 HD13 LEU A 46 10.258 -1.347 -12.773 1.00 23.50 H new ATOM 0 HD21 LEU A 46 9.232 0.430 -15.070 1.00 21.50 H new ATOM 0 HD22 LEU A 46 8.919 0.758 -13.349 1.00 21.50 H new ATOM 0 HD23 LEU A 46 9.681 2.003 -14.369 1.00 21.50 H new ATOM 771 N ALA A 47 11.720 4.050 -11.727 1.00 53.24 N ATOM 772 CA ALA A 47 11.618 5.088 -10.709 1.00 22.10 C ATOM 773 C ALA A 47 10.498 4.782 -9.722 1.00 34.53 C ATOM 774 O ALA A 47 9.663 3.912 -9.969 1.00 15.12 O ATOM 775 CB ALA A 47 11.394 6.446 -11.360 1.00 25.44 C ATOM 0 H ALA A 47 11.017 4.112 -12.464 1.00 53.24 H new ATOM 0 HA ALA A 47 12.557 5.112 -10.156 1.00 22.10 H new ATOM 0 HB1 ALA A 47 11.320 7.212 -10.588 1.00 25.44 H new ATOM 0 HB2 ALA A 47 12.231 6.676 -12.020 1.00 25.44 H new ATOM 0 HB3 ALA A 47 10.471 6.424 -11.939 1.00 25.44 H new ATOM 781 N GLU A 48 10.486 5.500 -8.604 1.00 45.11 N ATOM 782 CA GLU A 48 9.468 5.303 -7.580 1.00 22.05 C ATOM 783 C GLU A 48 8.225 6.135 -7.879 1.00 45.43 C ATOM 784 O GLU A 48 7.179 5.955 -7.256 1.00 43.40 O ATOM 785 CB GLU A 48 10.022 5.671 -6.201 1.00 72.41 C ATOM 786 CG GLU A 48 10.350 7.147 -6.052 1.00 23.14 C ATOM 787 CD GLU A 48 11.419 7.404 -5.006 1.00 60.44 C ATOM 788 OE1 GLU A 48 11.837 6.439 -4.335 1.00 62.34 O ATOM 789 OE2 GLU A 48 11.837 8.572 -4.861 1.00 53.12 O ATOM 0 H GLU A 48 11.170 6.224 -8.384 1.00 45.11 H new ATOM 0 HA GLU A 48 9.187 4.250 -7.582 1.00 22.05 H new ATOM 0 HB2 GLU A 48 9.294 5.390 -5.440 1.00 72.41 H new ATOM 0 HB3 GLU A 48 10.922 5.086 -6.012 1.00 72.41 H new ATOM 0 HG2 GLU A 48 10.684 7.540 -7.012 1.00 23.14 H new ATOM 0 HG3 GLU A 48 9.445 7.691 -5.783 1.00 23.14 H new ATOM 796 N SER A 49 8.349 7.048 -8.838 1.00 60.03 N ATOM 797 CA SER A 49 7.238 7.912 -9.219 1.00 14.14 C ATOM 798 C SER A 49 6.125 7.106 -9.882 1.00 2.23 C ATOM 799 O SER A 49 5.016 7.602 -10.079 1.00 55.22 O ATOM 800 CB SER A 49 7.721 9.012 -10.165 1.00 53.33 C ATOM 801 OG SER A 49 9.061 9.377 -9.883 1.00 30.41 O ATOM 0 H SER A 49 9.208 7.208 -9.365 1.00 60.03 H new ATOM 0 HA SER A 49 6.840 8.371 -8.314 1.00 14.14 H new ATOM 0 HB2 SER A 49 7.644 8.668 -11.196 1.00 53.33 H new ATOM 0 HB3 SER A 49 7.076 9.885 -10.071 1.00 53.33 H new ATOM 0 HG SER A 49 9.346 10.081 -10.503 1.00 30.41 H new ATOM 807 N LEU A 50 6.431 5.859 -10.226 1.00 11.44 N ATOM 808 CA LEU A 50 5.458 4.983 -10.867 1.00 33.02 C ATOM 809 C LEU A 50 4.725 4.133 -9.834 1.00 10.43 C ATOM 810 O LEU A 50 4.079 3.141 -10.174 1.00 54.42 O ATOM 811 CB LEU A 50 6.152 4.079 -11.887 1.00 74.23 C ATOM 812 CG LEU A 50 7.119 4.770 -12.849 1.00 11.31 C ATOM 813 CD1 LEU A 50 7.845 3.745 -13.706 1.00 12.15 C ATOM 814 CD2 LEU A 50 6.378 5.771 -13.723 1.00 60.24 C ATOM 0 H LEU A 50 7.345 5.433 -10.071 1.00 11.44 H new ATOM 0 HA LEU A 50 4.727 5.608 -11.380 1.00 33.02 H new ATOM 0 HB2 LEU A 50 6.699 3.307 -11.345 1.00 74.23 H new ATOM 0 HB3 LEU A 50 5.386 3.573 -12.475 1.00 74.23 H new ATOM 0 HG LEU A 50 7.861 5.311 -12.261 1.00 11.31 H new ATOM 0 HD11 LEU A 50 8.528 4.256 -14.384 1.00 12.15 H new ATOM 0 HD12 LEU A 50 8.409 3.068 -13.064 1.00 12.15 H new ATOM 0 HD13 LEU A 50 7.119 3.175 -14.285 1.00 12.15 H new ATOM 0 HD21 LEU A 50 7.082 6.253 -14.401 1.00 60.24 H new ATOM 0 HD22 LEU A 50 5.613 5.253 -14.302 1.00 60.24 H new ATOM 0 HD23 LEU A 50 5.907 6.525 -13.093 1.00 60.24 H new ATOM 826 N LEU A 51 4.829 4.530 -8.570 1.00 33.42 N ATOM 827 CA LEU A 51 4.173 3.805 -7.485 1.00 44.43 C ATOM 828 C LEU A 51 2.958 4.573 -6.975 1.00 2.12 C ATOM 829 O LEU A 51 2.105 4.015 -6.286 1.00 11.14 O ATOM 830 CB LEU A 51 5.158 3.565 -6.339 1.00 13.03 C ATOM 831 CG LEU A 51 6.061 2.340 -6.477 1.00 22.20 C ATOM 832 CD1 LEU A 51 7.108 2.322 -5.374 1.00 43.51 C ATOM 833 CD2 LEU A 51 5.236 1.062 -6.451 1.00 61.34 C ATOM 0 H LEU A 51 5.360 5.348 -8.271 1.00 33.42 H new ATOM 0 HA LEU A 51 3.835 2.844 -7.873 1.00 44.43 H new ATOM 0 HB2 LEU A 51 5.790 4.448 -6.238 1.00 13.03 H new ATOM 0 HB3 LEU A 51 4.591 3.471 -5.413 1.00 13.03 H new ATOM 0 HG LEU A 51 6.574 2.398 -7.437 1.00 22.20 H new ATOM 0 HD11 LEU A 51 7.742 1.443 -5.488 1.00 43.51 H new ATOM 0 HD12 LEU A 51 7.720 3.222 -5.439 1.00 43.51 H new ATOM 0 HD13 LEU A 51 6.613 2.289 -4.403 1.00 43.51 H new ATOM 0 HD21 LEU A 51 5.896 0.201 -6.551 1.00 61.34 H new ATOM 0 HD22 LEU A 51 4.695 0.997 -5.507 1.00 61.34 H new ATOM 0 HD23 LEU A 51 4.525 1.071 -7.277 1.00 61.34 H new ATOM 845 N GLU A 52 2.885 5.854 -7.320 1.00 42.44 N ATOM 846 CA GLU A 52 1.773 6.697 -6.898 1.00 42.40 C ATOM 847 C GLU A 52 0.824 6.969 -8.062 1.00 13.12 C ATOM 848 O GLU A 52 0.142 7.993 -8.093 1.00 53.11 O ATOM 849 CB GLU A 52 2.293 8.020 -6.330 1.00 32.11 C ATOM 850 CG GLU A 52 3.034 8.870 -7.348 1.00 50.45 C ATOM 851 CD GLU A 52 2.463 10.270 -7.465 1.00 12.31 C ATOM 852 OE1 GLU A 52 1.227 10.399 -7.585 1.00 42.42 O ATOM 853 OE2 GLU A 52 3.253 11.236 -7.436 1.00 11.34 O ATOM 0 H GLU A 52 3.583 6.331 -7.891 1.00 42.44 H new ATOM 0 HA GLU A 52 1.224 6.167 -6.120 1.00 42.40 H new ATOM 0 HB2 GLU A 52 1.453 8.591 -5.935 1.00 32.11 H new ATOM 0 HB3 GLU A 52 2.958 7.810 -5.492 1.00 32.11 H new ATOM 0 HG2 GLU A 52 4.085 8.933 -7.067 1.00 50.45 H new ATOM 0 HG3 GLU A 52 2.993 8.382 -8.322 1.00 50.45 H new ATOM 860 N SER A 53 0.786 6.045 -9.016 1.00 24.21 N ATOM 861 CA SER A 53 -0.075 6.186 -10.183 1.00 75.35 C ATOM 862 C SER A 53 -0.396 4.823 -10.790 1.00 65.40 C ATOM 863 O SER A 53 0.503 4.057 -11.137 1.00 23.42 O ATOM 864 CB SER A 53 0.592 7.079 -11.232 1.00 22.44 C ATOM 865 OG SER A 53 1.200 6.303 -12.250 1.00 32.21 O ATOM 0 H SER A 53 1.342 5.190 -9.003 1.00 24.21 H new ATOM 0 HA SER A 53 -1.007 6.650 -9.861 1.00 75.35 H new ATOM 0 HB2 SER A 53 -0.150 7.745 -11.672 1.00 22.44 H new ATOM 0 HB3 SER A 53 1.342 7.709 -10.754 1.00 22.44 H new ATOM 0 HG SER A 53 0.954 6.664 -13.127 1.00 32.21 H new ATOM 871 N LYS A 54 -1.685 4.526 -10.915 1.00 32.01 N ATOM 872 CA LYS A 54 -2.128 3.257 -11.480 1.00 41.21 C ATOM 873 C LYS A 54 -1.600 3.081 -12.901 1.00 25.44 C ATOM 874 O LYS A 54 -1.249 1.974 -13.308 1.00 24.20 O ATOM 875 CB LYS A 54 -3.656 3.180 -11.479 1.00 3.42 C ATOM 876 CG LYS A 54 -4.315 4.182 -12.412 1.00 33.12 C ATOM 877 CD LYS A 54 -5.830 4.067 -12.371 1.00 32.21 C ATOM 878 CE LYS A 54 -6.464 5.284 -11.716 1.00 33.21 C ATOM 879 NZ LYS A 54 -6.759 6.357 -12.707 1.00 11.15 N ATOM 0 H LYS A 54 -2.442 5.148 -10.632 1.00 32.01 H new ATOM 0 HA LYS A 54 -1.730 2.453 -10.861 1.00 41.21 H new ATOM 0 HB2 LYS A 54 -3.961 2.174 -11.766 1.00 3.42 H new ATOM 0 HB3 LYS A 54 -4.019 3.347 -10.465 1.00 3.42 H new ATOM 0 HG2 LYS A 54 -4.018 5.192 -12.131 1.00 33.12 H new ATOM 0 HG3 LYS A 54 -3.964 4.018 -13.431 1.00 33.12 H new ATOM 0 HD2 LYS A 54 -6.215 3.956 -13.385 1.00 32.21 H new ATOM 0 HD3 LYS A 54 -6.113 3.169 -11.823 1.00 32.21 H new ATOM 0 HE2 LYS A 54 -7.386 4.988 -11.216 1.00 33.21 H new ATOM 0 HE3 LYS A 54 -5.795 5.673 -10.948 1.00 33.21 H new ATOM 0 HZ1 LYS A 54 -7.190 7.169 -12.221 1.00 11.15 H new ATOM 0 HZ2 LYS A 54 -5.876 6.658 -13.167 1.00 11.15 H new ATOM 0 HZ3 LYS A 54 -7.417 5.994 -13.426 1.00 11.15 H new ATOM 893 N GLU A 55 -1.546 4.179 -13.648 1.00 33.14 N ATOM 894 CA GLU A 55 -1.060 4.143 -15.022 1.00 20.32 C ATOM 895 C GLU A 55 0.424 3.788 -15.066 1.00 14.03 C ATOM 896 O GLU A 55 0.887 3.123 -15.991 1.00 32.22 O ATOM 897 CB GLU A 55 -1.294 5.493 -15.704 1.00 61.43 C ATOM 898 CG GLU A 55 -1.782 5.374 -17.139 1.00 25.05 C ATOM 899 CD GLU A 55 -0.907 4.463 -17.978 1.00 32.03 C ATOM 900 OE1 GLU A 55 0.171 4.916 -18.418 1.00 32.31 O ATOM 901 OE2 GLU A 55 -1.300 3.299 -18.196 1.00 62.42 O ATOM 0 H GLU A 55 -1.832 5.103 -13.325 1.00 33.14 H new ATOM 0 HA GLU A 55 -1.615 3.373 -15.557 1.00 20.32 H new ATOM 0 HB2 GLU A 55 -2.024 6.060 -15.127 1.00 61.43 H new ATOM 0 HB3 GLU A 55 -0.365 6.063 -15.691 1.00 61.43 H new ATOM 0 HG2 GLU A 55 -2.804 4.994 -17.141 1.00 25.05 H new ATOM 0 HG3 GLU A 55 -1.810 6.365 -17.593 1.00 25.05 H new ATOM 908 N GLY A 56 1.164 4.239 -14.058 1.00 0.13 N ATOM 909 CA GLY A 56 2.587 3.960 -13.999 1.00 54.31 C ATOM 910 C GLY A 56 2.881 2.526 -13.607 1.00 65.12 C ATOM 911 O GLY A 56 3.681 1.851 -14.257 1.00 21.44 O ATOM 0 H GLY A 56 0.803 4.793 -13.281 1.00 0.13 H new ATOM 0 HA2 GLY A 56 3.035 4.167 -14.971 1.00 54.31 H new ATOM 0 HA3 GLY A 56 3.057 4.633 -13.282 1.00 54.31 H new ATOM 915 N CYS A 57 2.237 2.062 -12.544 1.00 32.53 N ATOM 916 CA CYS A 57 2.436 0.698 -12.065 1.00 32.41 C ATOM 917 C CYS A 57 2.106 -0.316 -13.155 1.00 51.24 C ATOM 918 O CYS A 57 2.619 -1.434 -13.152 1.00 31.44 O ATOM 919 CB CYS A 57 1.570 0.437 -10.831 1.00 31.33 C ATOM 920 SG CYS A 57 2.464 0.556 -9.264 1.00 33.42 S ATOM 0 H CYS A 57 1.572 2.609 -11.996 1.00 32.53 H new ATOM 0 HA CYS A 57 3.486 0.585 -11.795 1.00 32.41 H new ATOM 0 HB2 CYS A 57 0.745 1.150 -10.822 1.00 31.33 H new ATOM 0 HB3 CYS A 57 1.131 -0.557 -10.912 1.00 31.33 H new ATOM 0 HG CYS A 57 3.401 1.452 -9.366 1.00 33.42 H new ATOM 926 N GLN A 58 1.246 0.084 -14.087 1.00 52.10 N ATOM 927 CA GLN A 58 0.846 -0.790 -15.182 1.00 62.25 C ATOM 928 C GLN A 58 2.012 -1.041 -16.133 1.00 52.31 C ATOM 929 O GLN A 58 2.118 -2.109 -16.735 1.00 24.20 O ATOM 930 CB GLN A 58 -0.329 -0.180 -15.947 1.00 75.33 C ATOM 931 CG GLN A 58 -1.100 -1.189 -16.785 1.00 12.50 C ATOM 932 CD GLN A 58 -2.069 -0.529 -17.747 1.00 40.23 C ATOM 933 OE1 GLN A 58 -3.271 -0.790 -17.712 1.00 53.43 O ATOM 934 NE2 GLN A 58 -1.548 0.331 -18.615 1.00 1.43 N ATOM 0 H GLN A 58 0.814 1.008 -14.105 1.00 52.10 H new ATOM 0 HA GLN A 58 0.537 -1.744 -14.756 1.00 62.25 H new ATOM 0 HB2 GLN A 58 -1.011 0.287 -15.236 1.00 75.33 H new ATOM 0 HB3 GLN A 58 0.043 0.611 -16.598 1.00 75.33 H new ATOM 0 HG2 GLN A 58 -0.396 -1.802 -17.348 1.00 12.50 H new ATOM 0 HG3 GLN A 58 -1.650 -1.860 -16.125 1.00 12.50 H new ATOM 0 HE21 GLN A 58 -0.545 0.518 -18.609 1.00 1.43 H new ATOM 0 HE22 GLN A 58 -2.151 0.805 -19.288 1.00 1.43 H new ATOM 943 N LYS A 59 2.884 -0.047 -16.265 1.00 40.15 N ATOM 944 CA LYS A 59 4.044 -0.157 -17.142 1.00 61.23 C ATOM 945 C LYS A 59 5.109 -1.059 -16.525 1.00 12.14 C ATOM 946 O LYS A 59 5.989 -1.563 -17.222 1.00 53.34 O ATOM 947 CB LYS A 59 4.632 1.227 -17.421 1.00 62.12 C ATOM 948 CG LYS A 59 4.034 1.907 -18.640 1.00 42.32 C ATOM 949 CD LYS A 59 4.733 1.474 -19.919 1.00 54.32 C ATOM 950 CE LYS A 59 3.808 1.580 -21.122 1.00 4.21 C ATOM 951 NZ LYS A 59 3.447 0.240 -21.663 1.00 11.30 N ATOM 0 H LYS A 59 2.809 0.845 -15.775 1.00 40.15 H new ATOM 0 HA LYS A 59 3.716 -0.601 -18.082 1.00 61.23 H new ATOM 0 HB2 LYS A 59 4.476 1.861 -16.548 1.00 62.12 H new ATOM 0 HB3 LYS A 59 5.709 1.134 -17.559 1.00 62.12 H new ATOM 0 HG2 LYS A 59 2.972 1.669 -18.706 1.00 42.32 H new ATOM 0 HG3 LYS A 59 4.112 2.989 -18.530 1.00 42.32 H new ATOM 0 HD2 LYS A 59 5.615 2.094 -20.081 1.00 54.32 H new ATOM 0 HD3 LYS A 59 5.081 0.446 -19.815 1.00 54.32 H new ATOM 0 HE2 LYS A 59 2.901 2.113 -20.837 1.00 4.21 H new ATOM 0 HE3 LYS A 59 4.292 2.168 -21.902 1.00 4.21 H new ATOM 0 HZ1 LYS A 59 2.816 0.355 -22.482 1.00 11.30 H new ATOM 0 HZ2 LYS A 59 4.310 -0.259 -21.959 1.00 11.30 H new ATOM 0 HZ3 LYS A 59 2.962 -0.312 -20.927 1.00 11.30 H new ATOM 965 N ILE A 60 5.021 -1.257 -15.214 1.00 23.52 N ATOM 966 CA ILE A 60 5.976 -2.101 -14.504 1.00 14.33 C ATOM 967 C ILE A 60 5.537 -3.560 -14.519 1.00 23.41 C ATOM 968 O ILE A 60 6.334 -4.457 -14.799 1.00 23.33 O ATOM 969 CB ILE A 60 6.152 -1.643 -13.044 1.00 24.43 C ATOM 970 CG1 ILE A 60 6.325 -0.125 -12.978 1.00 42.34 C ATOM 971 CG2 ILE A 60 7.345 -2.345 -12.411 1.00 31.12 C ATOM 972 CD1 ILE A 60 6.410 0.414 -11.568 1.00 62.25 C ATOM 0 H ILE A 60 4.299 -0.845 -14.622 1.00 23.52 H new ATOM 0 HA ILE A 60 6.930 -2.007 -15.024 1.00 14.33 H new ATOM 0 HB ILE A 60 5.256 -1.911 -12.484 1.00 24.43 H new ATOM 0 HG12 ILE A 60 7.229 0.153 -13.519 1.00 42.34 H new ATOM 0 HG13 ILE A 60 5.488 0.350 -13.490 1.00 42.34 H new ATOM 0 HG21 ILE A 60 7.458 -2.012 -11.379 1.00 31.12 H new ATOM 0 HG22 ILE A 60 7.184 -3.423 -12.429 1.00 31.12 H new ATOM 0 HG23 ILE A 60 8.248 -2.104 -12.971 1.00 31.12 H new ATOM 0 HD11 ILE A 60 6.532 1.497 -11.599 1.00 62.25 H new ATOM 0 HD12 ILE A 60 5.496 0.167 -11.028 1.00 62.25 H new ATOM 0 HD13 ILE A 60 7.264 -0.033 -11.059 1.00 62.25 H new ATOM 984 N LEU A 61 4.265 -3.793 -14.217 1.00 35.33 N ATOM 985 CA LEU A 61 3.718 -5.146 -14.197 1.00 53.20 C ATOM 986 C LEU A 61 3.823 -5.796 -15.573 1.00 0.41 C ATOM 987 O LEU A 61 3.956 -7.015 -15.687 1.00 41.13 O ATOM 988 CB LEU A 61 2.257 -5.119 -13.743 1.00 24.31 C ATOM 989 CG LEU A 61 1.971 -4.367 -12.443 1.00 62.41 C ATOM 990 CD1 LEU A 61 0.605 -3.703 -12.500 1.00 1.32 C ATOM 991 CD2 LEU A 61 2.060 -5.308 -11.251 1.00 75.42 C ATOM 0 H LEU A 61 3.592 -3.063 -13.982 1.00 35.33 H new ATOM 0 HA LEU A 61 4.301 -5.737 -13.491 1.00 53.20 H new ATOM 0 HB2 LEU A 61 1.659 -4.671 -14.537 1.00 24.31 H new ATOM 0 HB3 LEU A 61 1.915 -6.147 -13.627 1.00 24.31 H new ATOM 0 HG LEU A 61 2.725 -3.589 -12.323 1.00 62.41 H new ATOM 0 HD11 LEU A 61 0.419 -3.173 -11.566 1.00 1.32 H new ATOM 0 HD12 LEU A 61 0.578 -2.997 -13.330 1.00 1.32 H new ATOM 0 HD13 LEU A 61 -0.163 -4.463 -12.645 1.00 1.32 H new ATOM 0 HD21 LEU A 61 1.853 -4.755 -10.335 1.00 75.42 H new ATOM 0 HD22 LEU A 61 1.329 -6.109 -11.364 1.00 75.42 H new ATOM 0 HD23 LEU A 61 3.061 -5.736 -11.199 1.00 75.42 H new ATOM 1003 N THR A 62 3.763 -4.974 -16.616 1.00 3.12 N ATOM 1004 CA THR A 62 3.853 -5.468 -17.984 1.00 61.13 C ATOM 1005 C THR A 62 5.230 -6.058 -18.267 1.00 41.13 C ATOM 1006 O THR A 62 5.378 -6.936 -19.117 1.00 4.02 O ATOM 1007 CB THR A 62 3.566 -4.351 -19.005 1.00 34.40 C ATOM 1008 OG1 THR A 62 3.191 -4.922 -20.263 1.00 63.25 O ATOM 1009 CG2 THR A 62 4.786 -3.460 -19.190 1.00 54.22 C ATOM 0 H THR A 62 3.652 -3.963 -16.539 1.00 3.12 H new ATOM 0 HA THR A 62 3.099 -6.248 -18.088 1.00 61.13 H new ATOM 0 HB THR A 62 2.746 -3.743 -18.624 1.00 34.40 H new ATOM 0 HG1 THR A 62 3.009 -4.205 -20.906 1.00 63.25 H new ATOM 0 HG21 THR A 62 4.559 -2.679 -19.915 1.00 54.22 H new ATOM 0 HG22 THR A 62 5.051 -3.004 -18.236 1.00 54.22 H new ATOM 0 HG23 THR A 62 5.622 -4.059 -19.551 1.00 54.22 H new ATOM 1017 N VAL A 63 6.237 -5.569 -17.549 1.00 11.03 N ATOM 1018 CA VAL A 63 7.603 -6.049 -17.722 1.00 13.14 C ATOM 1019 C VAL A 63 7.921 -7.167 -16.735 1.00 74.21 C ATOM 1020 O VAL A 63 8.622 -8.124 -17.068 1.00 2.32 O ATOM 1021 CB VAL A 63 8.624 -4.912 -17.538 1.00 44.01 C ATOM 1022 CG1 VAL A 63 10.044 -5.445 -17.657 1.00 43.23 C ATOM 1023 CG2 VAL A 63 8.375 -3.804 -18.551 1.00 63.10 C ATOM 0 H VAL A 63 6.132 -4.841 -16.842 1.00 11.03 H new ATOM 0 HA VAL A 63 7.678 -6.434 -18.739 1.00 13.14 H new ATOM 0 HB VAL A 63 8.501 -4.494 -16.539 1.00 44.01 H new ATOM 0 HG11 VAL A 63 10.752 -4.627 -17.524 1.00 43.23 H new ATOM 0 HG12 VAL A 63 10.214 -6.201 -16.890 1.00 43.23 H new ATOM 0 HG13 VAL A 63 10.184 -5.890 -18.642 1.00 43.23 H new ATOM 0 HG21 VAL A 63 9.106 -3.008 -18.407 1.00 63.10 H new ATOM 0 HG22 VAL A 63 8.470 -4.205 -19.560 1.00 63.10 H new ATOM 0 HG23 VAL A 63 7.371 -3.404 -18.413 1.00 63.10 H new ATOM 1033 N LEU A 64 7.401 -7.041 -15.519 1.00 31.32 N ATOM 1034 CA LEU A 64 7.629 -8.042 -14.482 1.00 75.11 C ATOM 1035 C LEU A 64 6.785 -9.288 -14.733 1.00 21.20 C ATOM 1036 O LEU A 64 7.132 -10.384 -14.291 1.00 14.20 O ATOM 1037 CB LEU A 64 7.304 -7.461 -13.105 1.00 64.31 C ATOM 1038 CG LEU A 64 8.120 -6.238 -12.683 1.00 31.53 C ATOM 1039 CD1 LEU A 64 7.513 -5.593 -11.447 1.00 13.01 C ATOM 1040 CD2 LEU A 64 9.568 -6.627 -12.427 1.00 23.12 C ATOM 0 H LEU A 64 6.819 -6.256 -15.227 1.00 31.32 H new ATOM 0 HA LEU A 64 8.681 -8.326 -14.511 1.00 75.11 H new ATOM 0 HB2 LEU A 64 6.248 -7.192 -13.086 1.00 64.31 H new ATOM 0 HB3 LEU A 64 7.447 -8.243 -12.360 1.00 64.31 H new ATOM 0 HG LEU A 64 8.098 -5.511 -13.495 1.00 31.53 H new ATOM 0 HD11 LEU A 64 8.106 -4.725 -11.161 1.00 13.01 H new ATOM 0 HD12 LEU A 64 6.492 -5.279 -11.665 1.00 13.01 H new ATOM 0 HD13 LEU A 64 7.505 -6.312 -10.628 1.00 13.01 H new ATOM 0 HD21 LEU A 64 10.134 -5.745 -12.128 1.00 23.12 H new ATOM 0 HD22 LEU A 64 9.610 -7.372 -11.632 1.00 23.12 H new ATOM 0 HD23 LEU A 64 9.999 -7.043 -13.337 1.00 23.12 H new ATOM 1052 N ASP A 65 5.679 -9.113 -15.447 1.00 22.33 N ATOM 1053 CA ASP A 65 4.787 -10.224 -15.759 1.00 71.15 C ATOM 1054 C ASP A 65 5.535 -11.330 -16.496 1.00 42.01 C ATOM 1055 O ASP A 65 5.653 -12.459 -16.019 1.00 14.03 O ATOM 1056 CB ASP A 65 3.609 -9.738 -16.605 1.00 11.20 C ATOM 1057 CG ASP A 65 2.368 -9.479 -15.774 1.00 3.53 C ATOM 1058 OD1 ASP A 65 2.013 -10.348 -14.950 1.00 65.12 O ATOM 1059 OD2 ASP A 65 1.752 -8.407 -15.947 1.00 34.42 O ATOM 0 H ASP A 65 5.378 -8.213 -15.821 1.00 22.33 H new ATOM 0 HA ASP A 65 4.408 -10.628 -14.820 1.00 71.15 H new ATOM 0 HB2 ASP A 65 3.892 -8.823 -17.125 1.00 11.20 H new ATOM 0 HB3 ASP A 65 3.383 -10.482 -17.369 1.00 11.20 H new ATOM 1064 N PRO A 66 6.054 -11.001 -17.689 1.00 63.53 N ATOM 1065 CA PRO A 66 6.799 -11.955 -18.518 1.00 4.52 C ATOM 1066 C PRO A 66 8.156 -12.308 -17.916 1.00 75.13 C ATOM 1067 O PRO A 66 8.851 -13.195 -18.410 1.00 70.24 O ATOM 1068 CB PRO A 66 6.980 -11.207 -19.841 1.00 54.11 C ATOM 1069 CG PRO A 66 6.912 -9.765 -19.475 1.00 2.23 C ATOM 1070 CD PRO A 66 5.952 -9.675 -18.321 1.00 31.30 C ATOM 0 HA PRO A 66 6.275 -12.906 -18.618 1.00 4.52 H new ATOM 0 HB2 PRO A 66 7.934 -11.452 -20.307 1.00 54.11 H new ATOM 0 HB3 PRO A 66 6.200 -11.471 -20.555 1.00 54.11 H new ATOM 0 HG2 PRO A 66 7.895 -9.387 -19.195 1.00 2.23 H new ATOM 0 HG3 PRO A 66 6.567 -9.165 -20.317 1.00 2.23 H new ATOM 0 HD2 PRO A 66 6.228 -8.878 -17.630 1.00 31.30 H new ATOM 0 HD3 PRO A 66 4.936 -9.467 -18.658 1.00 31.30 H new ATOM 1078 N MET A 67 8.524 -11.610 -16.848 1.00 72.40 N ATOM 1079 CA MET A 67 9.797 -11.853 -16.178 1.00 51.14 C ATOM 1080 C MET A 67 9.592 -12.650 -14.893 1.00 55.45 C ATOM 1081 O MET A 67 10.552 -13.121 -14.284 1.00 71.02 O ATOM 1082 CB MET A 67 10.493 -10.528 -15.865 1.00 2.33 C ATOM 1083 CG MET A 67 11.195 -9.911 -17.065 1.00 21.42 C ATOM 1084 SD MET A 67 12.525 -8.791 -16.590 1.00 40.44 S ATOM 1085 CE MET A 67 13.876 -9.432 -17.577 1.00 34.41 C ATOM 0 H MET A 67 7.960 -10.872 -16.427 1.00 72.40 H new ATOM 0 HA MET A 67 10.427 -12.436 -16.849 1.00 51.14 H new ATOM 0 HB2 MET A 67 9.756 -9.822 -15.483 1.00 2.33 H new ATOM 0 HB3 MET A 67 11.222 -10.689 -15.071 1.00 2.33 H new ATOM 0 HG2 MET A 67 11.600 -10.705 -17.692 1.00 21.42 H new ATOM 0 HG3 MET A 67 10.467 -9.369 -17.668 1.00 21.42 H new ATOM 0 HE1 MET A 67 14.773 -8.841 -17.393 1.00 34.41 H new ATOM 0 HE2 MET A 67 14.064 -10.471 -17.306 1.00 34.41 H new ATOM 0 HE3 MET A 67 13.614 -9.374 -18.633 1.00 34.41 H new ATOM 1095 N VAL A 68 8.335 -12.796 -14.487 1.00 1.21 N ATOM 1096 CA VAL A 68 8.004 -13.535 -13.275 1.00 62.32 C ATOM 1097 C VAL A 68 8.739 -14.871 -13.229 1.00 52.25 C ATOM 1098 O VAL A 68 9.496 -15.160 -12.304 1.00 1.41 O ATOM 1099 CB VAL A 68 6.489 -13.792 -13.169 1.00 43.52 C ATOM 1100 CG1 VAL A 68 6.216 -15.061 -12.378 1.00 33.15 C ATOM 1101 CG2 VAL A 68 5.791 -12.597 -12.535 1.00 62.25 C ATOM 0 H VAL A 68 7.529 -12.412 -14.980 1.00 1.21 H new ATOM 0 HA VAL A 68 8.320 -12.919 -12.433 1.00 62.32 H new ATOM 0 HB VAL A 68 6.089 -13.927 -14.174 1.00 43.52 H new ATOM 0 HG11 VAL A 68 5.140 -15.226 -12.314 1.00 33.15 H new ATOM 0 HG12 VAL A 68 6.684 -15.909 -12.878 1.00 33.15 H new ATOM 0 HG13 VAL A 68 6.628 -14.960 -11.374 1.00 33.15 H new ATOM 0 HG21 VAL A 68 4.721 -12.794 -12.467 1.00 62.25 H new ATOM 0 HG22 VAL A 68 6.193 -12.429 -11.536 1.00 62.25 H new ATOM 0 HG23 VAL A 68 5.958 -11.711 -13.147 1.00 62.25 H new ATOM 1111 N PRO A 69 8.510 -15.707 -14.253 1.00 63.15 N ATOM 1112 CA PRO A 69 9.141 -17.027 -14.354 1.00 0.45 C ATOM 1113 C PRO A 69 10.637 -16.933 -14.636 1.00 40.12 C ATOM 1114 O PRO A 69 11.434 -17.678 -14.066 1.00 4.44 O ATOM 1115 CB PRO A 69 8.414 -17.678 -15.533 1.00 60.32 C ATOM 1116 CG PRO A 69 7.932 -16.536 -16.359 1.00 23.53 C ATOM 1117 CD PRO A 69 7.619 -15.429 -15.391 1.00 75.01 C ATOM 0 HA PRO A 69 9.062 -17.590 -13.424 1.00 0.45 H new ATOM 0 HB2 PRO A 69 9.082 -18.324 -16.102 1.00 60.32 H new ATOM 0 HB3 PRO A 69 7.585 -18.298 -15.193 1.00 60.32 H new ATOM 0 HG2 PRO A 69 8.692 -16.225 -17.076 1.00 23.53 H new ATOM 0 HG3 PRO A 69 7.048 -16.815 -16.932 1.00 23.53 H new ATOM 0 HD2 PRO A 69 7.816 -14.449 -15.825 1.00 75.01 H new ATOM 0 HD3 PRO A 69 6.571 -15.441 -15.093 1.00 75.01 H new ATOM 1125 N THR A 70 11.012 -16.014 -15.520 1.00 1.45 N ATOM 1126 CA THR A 70 12.412 -15.824 -15.878 1.00 54.40 C ATOM 1127 C THR A 70 13.080 -14.804 -14.963 1.00 20.43 C ATOM 1128 O THR A 70 13.987 -14.084 -15.378 1.00 53.01 O ATOM 1129 CB THR A 70 12.560 -15.360 -17.339 1.00 71.01 C ATOM 1130 OG1 THR A 70 11.483 -15.877 -18.129 1.00 42.31 O ATOM 1131 CG2 THR A 70 13.888 -15.819 -17.921 1.00 73.44 C ATOM 0 H THR A 70 10.365 -15.389 -16.001 1.00 1.45 H new ATOM 0 HA THR A 70 12.902 -16.790 -15.760 1.00 54.40 H new ATOM 0 HB THR A 70 12.532 -14.270 -17.355 1.00 71.01 H new ATOM 0 HG1 THR A 70 11.584 -15.576 -19.056 1.00 42.31 H new ATOM 0 HG21 THR A 70 13.970 -15.479 -18.954 1.00 73.44 H new ATOM 0 HG22 THR A 70 14.706 -15.400 -17.335 1.00 73.44 H new ATOM 0 HG23 THR A 70 13.941 -16.907 -17.892 1.00 73.44 H new ATOM 1139 N GLY A 71 12.626 -14.750 -13.714 1.00 52.54 N ATOM 1140 CA GLY A 71 13.193 -13.815 -12.759 1.00 73.03 C ATOM 1141 C GLY A 71 13.284 -14.396 -11.362 1.00 52.13 C ATOM 1142 O GLY A 71 12.311 -14.949 -10.848 1.00 62.15 O ATOM 0 H GLY A 71 11.877 -15.336 -13.347 1.00 52.54 H new ATOM 0 HA2 GLY A 71 14.188 -13.519 -13.092 1.00 73.03 H new ATOM 0 HA3 GLY A 71 12.584 -12.912 -12.734 1.00 73.03 H new ATOM 1146 N SER A 72 14.455 -14.272 -10.747 1.00 74.34 N ATOM 1147 CA SER A 72 14.671 -14.796 -9.403 1.00 52.25 C ATOM 1148 C SER A 72 13.727 -14.133 -8.404 1.00 62.00 C ATOM 1149 O SER A 72 12.979 -13.220 -8.753 1.00 22.14 O ATOM 1150 CB SER A 72 16.123 -14.574 -8.974 1.00 35.53 C ATOM 1151 OG SER A 72 16.523 -13.235 -9.204 1.00 4.52 O ATOM 0 H SER A 72 15.269 -13.814 -11.157 1.00 74.34 H new ATOM 0 HA SER A 72 14.463 -15.866 -9.418 1.00 52.25 H new ATOM 0 HB2 SER A 72 16.234 -14.813 -7.916 1.00 35.53 H new ATOM 0 HB3 SER A 72 16.776 -15.252 -9.524 1.00 35.53 H new ATOM 0 HG SER A 72 17.482 -13.210 -9.404 1.00 4.52 H new ATOM 1157 N GLU A 73 13.768 -14.601 -7.160 1.00 74.32 N ATOM 1158 CA GLU A 73 12.916 -14.055 -6.111 1.00 53.20 C ATOM 1159 C GLU A 73 13.120 -12.549 -5.972 1.00 64.10 C ATOM 1160 O GLU A 73 12.233 -11.831 -5.514 1.00 1.24 O ATOM 1161 CB GLU A 73 13.206 -14.745 -4.777 1.00 22.23 C ATOM 1162 CG GLU A 73 14.563 -14.394 -4.192 1.00 4.34 C ATOM 1163 CD GLU A 73 15.065 -15.438 -3.213 1.00 1.12 C ATOM 1164 OE1 GLU A 73 14.759 -16.632 -3.410 1.00 31.41 O ATOM 1165 OE2 GLU A 73 15.764 -15.059 -2.250 1.00 44.01 O ATOM 0 H GLU A 73 14.382 -15.356 -6.855 1.00 74.32 H new ATOM 0 HA GLU A 73 11.878 -14.239 -6.389 1.00 53.20 H new ATOM 0 HB2 GLU A 73 12.430 -14.474 -4.061 1.00 22.23 H new ATOM 0 HB3 GLU A 73 13.148 -15.825 -4.916 1.00 22.23 H new ATOM 0 HG2 GLU A 73 15.285 -14.283 -5.001 1.00 4.34 H new ATOM 0 HG3 GLU A 73 14.499 -13.430 -3.688 1.00 4.34 H new ATOM 1172 N ASN A 74 14.299 -12.079 -6.372 1.00 15.33 N ATOM 1173 CA ASN A 74 14.621 -10.659 -6.291 1.00 71.32 C ATOM 1174 C ASN A 74 13.727 -9.844 -7.220 1.00 5.11 C ATOM 1175 O ASN A 74 13.432 -8.678 -6.951 1.00 64.33 O ATOM 1176 CB ASN A 74 16.091 -10.428 -6.647 1.00 43.13 C ATOM 1177 CG ASN A 74 17.020 -11.369 -5.905 1.00 64.31 C ATOM 1178 OD1 ASN A 74 17.221 -11.237 -4.697 1.00 52.45 O ATOM 1179 ND2 ASN A 74 17.593 -12.325 -6.625 1.00 65.34 N ATOM 0 H ASN A 74 15.045 -12.660 -6.754 1.00 15.33 H new ATOM 0 HA ASN A 74 14.445 -10.330 -5.267 1.00 71.32 H new ATOM 0 HB2 ASN A 74 16.227 -10.559 -7.721 1.00 43.13 H new ATOM 0 HB3 ASN A 74 16.361 -9.398 -6.415 1.00 43.13 H new ATOM 0 HD21 ASN A 74 18.228 -12.987 -6.180 1.00 65.34 H new ATOM 0 HD22 ASN A 74 17.398 -12.398 -7.624 1.00 65.34 H new ATOM 1186 N LEU A 75 13.298 -10.465 -8.313 1.00 53.21 N ATOM 1187 CA LEU A 75 12.436 -9.798 -9.284 1.00 33.03 C ATOM 1188 C LEU A 75 10.968 -10.110 -9.012 1.00 14.21 C ATOM 1189 O LEU A 75 10.144 -9.205 -8.875 1.00 51.05 O ATOM 1190 CB LEU A 75 12.807 -10.227 -10.704 1.00 72.32 C ATOM 1191 CG LEU A 75 11.899 -9.707 -11.820 1.00 75.53 C ATOM 1192 CD1 LEU A 75 12.691 -9.510 -13.103 1.00 53.41 C ATOM 1193 CD2 LEU A 75 10.738 -10.663 -12.050 1.00 74.23 C ATOM 0 H LEU A 75 13.532 -11.429 -8.550 1.00 53.21 H new ATOM 0 HA LEU A 75 12.584 -8.722 -9.187 1.00 33.03 H new ATOM 0 HB2 LEU A 75 13.826 -9.897 -10.908 1.00 72.32 H new ATOM 0 HB3 LEU A 75 12.811 -11.316 -10.744 1.00 72.32 H new ATOM 0 HG LEU A 75 11.495 -8.742 -11.515 1.00 75.53 H new ATOM 0 HD11 LEU A 75 12.029 -9.140 -13.886 1.00 53.41 H new ATOM 0 HD12 LEU A 75 13.489 -8.788 -12.931 1.00 53.41 H new ATOM 0 HD13 LEU A 75 13.123 -10.461 -13.413 1.00 53.41 H new ATOM 0 HD21 LEU A 75 10.102 -10.278 -12.847 1.00 74.23 H new ATOM 0 HD22 LEU A 75 11.124 -11.642 -12.334 1.00 74.23 H new ATOM 0 HD23 LEU A 75 10.155 -10.755 -11.133 1.00 74.23 H new ATOM 1205 N LYS A 76 10.646 -11.396 -8.933 1.00 62.32 N ATOM 1206 CA LYS A 76 9.279 -11.830 -8.675 1.00 54.13 C ATOM 1207 C LYS A 76 8.704 -11.119 -7.454 1.00 14.02 C ATOM 1208 O LYS A 76 7.502 -10.862 -7.381 1.00 63.14 O ATOM 1209 CB LYS A 76 9.232 -13.344 -8.465 1.00 71.41 C ATOM 1210 CG LYS A 76 7.964 -13.994 -8.991 1.00 21.20 C ATOM 1211 CD LYS A 76 7.571 -15.204 -8.160 1.00 73.24 C ATOM 1212 CE LYS A 76 8.683 -16.239 -8.122 1.00 23.21 C ATOM 1213 NZ LYS A 76 9.354 -16.285 -6.793 1.00 50.00 N ATOM 0 H LYS A 76 11.315 -12.158 -9.044 1.00 62.32 H new ATOM 0 HA LYS A 76 8.673 -11.572 -9.544 1.00 54.13 H new ATOM 0 HB2 LYS A 76 10.093 -13.797 -8.957 1.00 71.41 H new ATOM 0 HB3 LYS A 76 9.324 -13.557 -7.400 1.00 71.41 H new ATOM 0 HG2 LYS A 76 7.152 -13.267 -8.984 1.00 21.20 H new ATOM 0 HG3 LYS A 76 8.112 -14.296 -10.028 1.00 21.20 H new ATOM 0 HD2 LYS A 76 7.333 -14.887 -7.145 1.00 73.24 H new ATOM 0 HD3 LYS A 76 6.668 -15.653 -8.574 1.00 73.24 H new ATOM 0 HE2 LYS A 76 8.273 -17.221 -8.356 1.00 23.21 H new ATOM 0 HE3 LYS A 76 9.419 -16.010 -8.893 1.00 23.21 H new ATOM 0 HZ1 LYS A 76 9.879 -17.178 -6.700 1.00 50.00 H new ATOM 0 HZ2 LYS A 76 10.014 -15.485 -6.709 1.00 50.00 H new ATOM 0 HZ3 LYS A 76 8.639 -16.224 -6.041 1.00 50.00 H new ATOM 1227 N SER A 77 9.571 -10.802 -6.497 1.00 54.34 N ATOM 1228 CA SER A 77 9.148 -10.122 -5.278 1.00 4.10 C ATOM 1229 C SER A 77 8.498 -8.780 -5.602 1.00 35.30 C ATOM 1230 O SER A 77 7.437 -8.447 -5.071 1.00 61.14 O ATOM 1231 CB SER A 77 10.344 -9.910 -4.347 1.00 44.34 C ATOM 1232 OG SER A 77 10.595 -11.067 -3.569 1.00 25.35 O ATOM 0 H SER A 77 10.570 -11.005 -6.542 1.00 54.34 H new ATOM 0 HA SER A 77 8.412 -10.751 -4.777 1.00 4.10 H new ATOM 0 HB2 SER A 77 11.228 -9.665 -4.935 1.00 44.34 H new ATOM 0 HB3 SER A 77 10.152 -9.061 -3.691 1.00 44.34 H new ATOM 0 HG SER A 77 11.244 -11.637 -4.031 1.00 25.35 H new ATOM 1238 N LEU A 78 9.140 -8.014 -6.476 1.00 1.41 N ATOM 1239 CA LEU A 78 8.626 -6.708 -6.872 1.00 55.24 C ATOM 1240 C LEU A 78 7.279 -6.844 -7.577 1.00 24.14 C ATOM 1241 O LEU A 78 6.378 -6.028 -7.380 1.00 62.54 O ATOM 1242 CB LEU A 78 9.624 -5.999 -7.788 1.00 64.41 C ATOM 1243 CG LEU A 78 9.153 -4.683 -8.406 1.00 12.12 C ATOM 1244 CD1 LEU A 78 8.721 -3.708 -7.322 1.00 24.55 C ATOM 1245 CD2 LEU A 78 10.250 -4.074 -9.266 1.00 70.32 C ATOM 0 H LEU A 78 10.018 -8.275 -6.924 1.00 1.41 H new ATOM 0 HA LEU A 78 8.486 -6.113 -5.970 1.00 55.24 H new ATOM 0 HB2 LEU A 78 10.533 -5.805 -7.219 1.00 64.41 H new ATOM 0 HB3 LEU A 78 9.892 -6.680 -8.595 1.00 64.41 H new ATOM 0 HG LEU A 78 8.293 -4.891 -9.043 1.00 12.12 H new ATOM 0 HD11 LEU A 78 8.389 -2.777 -7.781 1.00 24.55 H new ATOM 0 HD12 LEU A 78 7.902 -4.142 -6.748 1.00 24.55 H new ATOM 0 HD13 LEU A 78 9.562 -3.506 -6.659 1.00 24.55 H new ATOM 0 HD21 LEU A 78 9.896 -3.138 -9.698 1.00 70.32 H new ATOM 0 HD22 LEU A 78 11.129 -3.881 -8.651 1.00 70.32 H new ATOM 0 HD23 LEU A 78 10.512 -4.766 -10.066 1.00 70.32 H new ATOM 1257 N PHE A 79 7.150 -7.880 -8.398 1.00 32.41 N ATOM 1258 CA PHE A 79 5.913 -8.125 -9.131 1.00 41.20 C ATOM 1259 C PHE A 79 4.737 -8.291 -8.174 1.00 72.01 C ATOM 1260 O PHE A 79 3.649 -7.768 -8.414 1.00 30.45 O ATOM 1261 CB PHE A 79 6.053 -9.372 -10.007 1.00 35.14 C ATOM 1262 CG PHE A 79 4.791 -9.736 -10.737 1.00 4.11 C ATOM 1263 CD1 PHE A 79 4.288 -8.913 -11.730 1.00 43.42 C ATOM 1264 CD2 PHE A 79 4.108 -10.901 -10.428 1.00 61.23 C ATOM 1265 CE1 PHE A 79 3.127 -9.245 -12.404 1.00 44.41 C ATOM 1266 CE2 PHE A 79 2.948 -11.239 -11.098 1.00 41.41 C ATOM 1267 CZ PHE A 79 2.456 -10.409 -12.087 1.00 11.21 C ATOM 0 H PHE A 79 7.886 -8.564 -8.573 1.00 32.41 H new ATOM 0 HA PHE A 79 5.720 -7.262 -9.768 1.00 41.20 H new ATOM 0 HB2 PHE A 79 6.849 -9.209 -10.733 1.00 35.14 H new ATOM 0 HB3 PHE A 79 6.358 -10.212 -9.383 1.00 35.14 H new ATOM 0 HD1 PHE A 79 4.809 -8.001 -11.981 1.00 43.42 H new ATOM 0 HD2 PHE A 79 4.487 -11.553 -9.654 1.00 61.23 H new ATOM 0 HE1 PHE A 79 2.746 -8.595 -13.177 1.00 44.41 H new ATOM 0 HE2 PHE A 79 2.426 -12.151 -10.849 1.00 41.41 H new ATOM 0 HZ PHE A 79 1.548 -10.670 -12.611 1.00 11.21 H new ATOM 1277 N ASN A 80 4.963 -9.024 -7.088 1.00 1.10 N ATOM 1278 CA ASN A 80 3.922 -9.260 -6.095 1.00 2.43 C ATOM 1279 C ASN A 80 3.517 -7.958 -5.411 1.00 41.20 C ATOM 1280 O ASN A 80 2.350 -7.760 -5.068 1.00 50.24 O ATOM 1281 CB ASN A 80 4.405 -10.268 -5.050 1.00 34.20 C ATOM 1282 CG ASN A 80 4.103 -11.701 -5.446 1.00 62.42 C ATOM 1283 OD1 ASN A 80 4.029 -12.026 -6.631 1.00 43.02 O ATOM 1284 ND2 ASN A 80 3.926 -12.565 -4.454 1.00 12.04 N ATOM 0 H ASN A 80 5.858 -9.464 -6.874 1.00 1.10 H new ATOM 0 HA ASN A 80 3.051 -9.667 -6.608 1.00 2.43 H new ATOM 0 HB2 ASN A 80 5.479 -10.152 -4.907 1.00 34.20 H new ATOM 0 HB3 ASN A 80 3.931 -10.051 -4.093 1.00 34.20 H new ATOM 0 HD21 ASN A 80 3.719 -13.542 -4.660 1.00 12.04 H new ATOM 0 HD22 ASN A 80 3.997 -12.251 -3.486 1.00 12.04 H new ATOM 1291 N THR A 81 4.488 -7.071 -5.215 1.00 34.13 N ATOM 1292 CA THR A 81 4.233 -5.789 -4.572 1.00 1.42 C ATOM 1293 C THR A 81 3.513 -4.834 -5.517 1.00 54.34 C ATOM 1294 O THR A 81 2.506 -4.224 -5.152 1.00 42.23 O ATOM 1295 CB THR A 81 5.541 -5.129 -4.094 1.00 75.45 C ATOM 1296 OG1 THR A 81 6.217 -5.994 -3.175 1.00 31.13 O ATOM 1297 CG2 THR A 81 5.261 -3.791 -3.428 1.00 41.04 C ATOM 0 H THR A 81 5.458 -7.218 -5.493 1.00 34.13 H new ATOM 0 HA THR A 81 3.599 -5.990 -3.708 1.00 1.42 H new ATOM 0 HB THR A 81 6.175 -4.957 -4.964 1.00 75.45 H new ATOM 0 HG1 THR A 81 6.592 -6.758 -3.661 1.00 31.13 H new ATOM 0 HG21 THR A 81 6.200 -3.345 -3.099 1.00 41.04 H new ATOM 0 HG22 THR A 81 4.772 -3.125 -4.140 1.00 41.04 H new ATOM 0 HG23 THR A 81 4.610 -3.942 -2.567 1.00 41.04 H new ATOM 1305 N VAL A 82 4.031 -4.707 -6.734 1.00 63.33 N ATOM 1306 CA VAL A 82 3.436 -3.828 -7.732 1.00 50.32 C ATOM 1307 C VAL A 82 1.995 -4.228 -8.028 1.00 54.20 C ATOM 1308 O VAL A 82 1.153 -3.379 -8.324 1.00 61.44 O ATOM 1309 CB VAL A 82 4.241 -3.844 -9.046 1.00 52.51 C ATOM 1310 CG1 VAL A 82 3.680 -2.826 -10.028 1.00 21.03 C ATOM 1311 CG2 VAL A 82 5.713 -3.576 -8.771 1.00 65.30 C ATOM 0 H VAL A 82 4.863 -5.203 -7.053 1.00 63.33 H new ATOM 0 HA VAL A 82 3.453 -2.821 -7.316 1.00 50.32 H new ATOM 0 HB VAL A 82 4.152 -4.833 -9.495 1.00 52.51 H new ATOM 0 HG11 VAL A 82 4.261 -2.851 -10.950 1.00 21.03 H new ATOM 0 HG12 VAL A 82 2.640 -3.067 -10.248 1.00 21.03 H new ATOM 0 HG13 VAL A 82 3.737 -1.829 -9.591 1.00 21.03 H new ATOM 0 HG21 VAL A 82 6.267 -3.591 -9.710 1.00 65.30 H new ATOM 0 HG22 VAL A 82 5.823 -2.599 -8.300 1.00 65.30 H new ATOM 0 HG23 VAL A 82 6.105 -4.346 -8.106 1.00 65.30 H new ATOM 1321 N CYS A 83 1.718 -5.524 -7.944 1.00 61.02 N ATOM 1322 CA CYS A 83 0.377 -6.038 -8.203 1.00 21.24 C ATOM 1323 C CYS A 83 -0.614 -5.516 -7.167 1.00 63.22 C ATOM 1324 O CYS A 83 -1.763 -5.217 -7.488 1.00 52.14 O ATOM 1325 CB CYS A 83 0.384 -7.567 -8.195 1.00 44.15 C ATOM 1326 SG CYS A 83 0.788 -8.311 -9.793 1.00 14.11 S ATOM 0 H CYS A 83 2.403 -6.238 -7.699 1.00 61.02 H new ATOM 0 HA CYS A 83 0.064 -5.689 -9.187 1.00 21.24 H new ATOM 0 HB2 CYS A 83 1.104 -7.913 -7.453 1.00 44.15 H new ATOM 0 HB3 CYS A 83 -0.596 -7.923 -7.878 1.00 44.15 H new ATOM 0 HG CYS A 83 2.079 -8.384 -9.923 1.00 14.11 H new ATOM 1332 N VAL A 84 -0.160 -5.413 -5.922 1.00 11.40 N ATOM 1333 CA VAL A 84 -1.007 -4.928 -4.837 1.00 74.54 C ATOM 1334 C VAL A 84 -1.088 -3.406 -4.842 1.00 21.32 C ATOM 1335 O VAL A 84 -2.125 -2.829 -4.518 1.00 54.03 O ATOM 1336 CB VAL A 84 -0.489 -5.401 -3.467 1.00 5.05 C ATOM 1337 CG1 VAL A 84 -1.369 -4.864 -2.348 1.00 42.11 C ATOM 1338 CG2 VAL A 84 -0.419 -6.920 -3.418 1.00 51.32 C ATOM 0 H VAL A 84 0.789 -5.659 -5.639 1.00 11.40 H new ATOM 0 HA VAL A 84 -2.002 -5.341 -5.002 1.00 74.54 H new ATOM 0 HB VAL A 84 0.518 -5.009 -3.325 1.00 5.05 H new ATOM 0 HG11 VAL A 84 -0.987 -5.209 -1.387 1.00 42.11 H new ATOM 0 HG12 VAL A 84 -1.362 -3.774 -2.371 1.00 42.11 H new ATOM 0 HG13 VAL A 84 -2.389 -5.223 -2.483 1.00 42.11 H new ATOM 0 HG21 VAL A 84 -0.051 -7.236 -2.442 1.00 51.32 H new ATOM 0 HG22 VAL A 84 -1.413 -7.336 -3.583 1.00 51.32 H new ATOM 0 HG23 VAL A 84 0.257 -7.278 -4.194 1.00 51.32 H new ATOM 1348 N ILE A 85 0.014 -2.762 -5.209 1.00 65.24 N ATOM 1349 CA ILE A 85 0.069 -1.306 -5.256 1.00 40.14 C ATOM 1350 C ILE A 85 -0.869 -0.756 -6.327 1.00 64.50 C ATOM 1351 O ILE A 85 -1.417 0.336 -6.182 1.00 55.04 O ATOM 1352 CB ILE A 85 1.497 -0.804 -5.534 1.00 45.12 C ATOM 1353 CG1 ILE A 85 2.433 -1.202 -4.391 1.00 34.11 C ATOM 1354 CG2 ILE A 85 1.500 0.704 -5.728 1.00 44.32 C ATOM 1355 CD1 ILE A 85 2.302 -0.319 -3.169 1.00 22.45 C ATOM 0 H ILE A 85 0.882 -3.226 -5.478 1.00 65.24 H new ATOM 0 HA ILE A 85 -0.248 -0.947 -4.277 1.00 40.14 H new ATOM 0 HB ILE A 85 1.857 -1.269 -6.452 1.00 45.12 H new ATOM 0 HG12 ILE A 85 2.229 -2.234 -4.107 1.00 34.11 H new ATOM 0 HG13 ILE A 85 3.463 -1.167 -4.746 1.00 34.11 H new ATOM 0 HG21 ILE A 85 2.517 1.044 -5.924 1.00 44.32 H new ATOM 0 HG22 ILE A 85 0.862 0.963 -6.573 1.00 44.32 H new ATOM 0 HG23 ILE A 85 1.123 1.188 -4.827 1.00 44.32 H new ATOM 0 HD11 ILE A 85 2.994 -0.659 -2.399 1.00 22.45 H new ATOM 0 HD12 ILE A 85 2.535 0.711 -3.438 1.00 22.45 H new ATOM 0 HD13 ILE A 85 1.282 -0.373 -2.789 1.00 22.45 H new ATOM 1367 N TRP A 86 -1.047 -1.520 -7.398 1.00 20.13 N ATOM 1368 CA TRP A 86 -1.920 -1.110 -8.492 1.00 2.43 C ATOM 1369 C TRP A 86 -3.385 -1.179 -8.075 1.00 1.34 C ATOM 1370 O TRP A 86 -4.159 -0.257 -8.339 1.00 71.35 O ATOM 1371 CB TRP A 86 -1.684 -1.993 -9.719 1.00 33.53 C ATOM 1372 CG TRP A 86 -2.492 -1.580 -10.912 1.00 75.50 C ATOM 1373 CD1 TRP A 86 -2.125 -0.695 -11.883 1.00 40.20 C ATOM 1374 CD2 TRP A 86 -3.805 -2.037 -11.258 1.00 24.15 C ATOM 1375 NE1 TRP A 86 -3.129 -0.572 -12.813 1.00 34.42 N ATOM 1376 CE2 TRP A 86 -4.170 -1.387 -12.452 1.00 53.34 C ATOM 1377 CE3 TRP A 86 -4.705 -2.933 -10.676 1.00 23.34 C ATOM 1378 CZ2 TRP A 86 -5.397 -1.604 -13.072 1.00 55.32 C ATOM 1379 CZ3 TRP A 86 -5.923 -3.148 -11.292 1.00 63.21 C ATOM 1380 CH2 TRP A 86 -6.261 -2.487 -12.481 1.00 5.44 C ATOM 0 H TRP A 86 -0.599 -2.426 -7.533 1.00 20.13 H new ATOM 0 HA TRP A 86 -1.682 -0.077 -8.745 1.00 2.43 H new ATOM 0 HB2 TRP A 86 -0.626 -1.966 -9.979 1.00 33.53 H new ATOM 0 HB3 TRP A 86 -1.924 -3.026 -9.466 1.00 33.53 H new ATOM 0 HD1 TRP A 86 -1.183 -0.168 -11.916 1.00 40.20 H new ATOM 0 HE1 TRP A 86 -3.104 0.028 -13.637 1.00 34.42 H new ATOM 0 HE3 TRP A 86 -4.453 -3.448 -9.761 1.00 23.34 H new ATOM 0 HZ2 TRP A 86 -5.659 -1.094 -13.987 1.00 55.32 H new ATOM 0 HZ3 TRP A 86 -6.627 -3.837 -10.850 1.00 63.21 H new ATOM 0 HH2 TRP A 86 -7.220 -2.678 -12.939 1.00 5.44 H new ATOM 1391 N CYS A 87 -3.759 -2.273 -7.422 1.00 33.34 N ATOM 1392 CA CYS A 87 -5.132 -2.461 -6.968 1.00 52.32 C ATOM 1393 C CYS A 87 -5.582 -1.292 -6.097 1.00 31.43 C ATOM 1394 O CYS A 87 -6.587 -0.642 -6.385 1.00 32.20 O ATOM 1395 CB CYS A 87 -5.261 -3.772 -6.190 1.00 44.21 C ATOM 1396 SG CYS A 87 -5.546 -5.223 -7.231 1.00 3.30 S ATOM 0 H CYS A 87 -3.131 -3.044 -7.195 1.00 33.34 H new ATOM 0 HA CYS A 87 -5.775 -2.505 -7.847 1.00 52.32 H new ATOM 0 HB2 CYS A 87 -4.352 -3.928 -5.609 1.00 44.21 H new ATOM 0 HB3 CYS A 87 -6.082 -3.681 -5.479 1.00 44.21 H new ATOM 0 HG CYS A 87 -5.849 -6.242 -6.482 1.00 3.30 H new ATOM 1402 N ILE A 88 -4.833 -1.034 -5.031 1.00 70.01 N ATOM 1403 CA ILE A 88 -5.155 0.055 -4.117 1.00 42.23 C ATOM 1404 C ILE A 88 -5.483 1.335 -4.881 1.00 70.40 C ATOM 1405 O ILE A 88 -6.318 2.131 -4.450 1.00 61.44 O ATOM 1406 CB ILE A 88 -3.995 0.335 -3.143 1.00 65.03 C ATOM 1407 CG1 ILE A 88 -3.686 -0.911 -2.312 1.00 13.11 C ATOM 1408 CG2 ILE A 88 -4.333 1.512 -2.240 1.00 34.20 C ATOM 1409 CD1 ILE A 88 -2.399 -0.808 -1.525 1.00 22.54 C ATOM 0 H ILE A 88 -3.999 -1.564 -4.779 1.00 70.01 H new ATOM 0 HA ILE A 88 -6.029 -0.260 -3.547 1.00 42.23 H new ATOM 0 HB ILE A 88 -3.108 0.591 -3.722 1.00 65.03 H new ATOM 0 HG12 ILE A 88 -4.511 -1.092 -1.622 1.00 13.11 H new ATOM 0 HG13 ILE A 88 -3.629 -1.775 -2.974 1.00 13.11 H new ATOM 0 HG21 ILE A 88 -3.503 1.697 -1.558 1.00 34.20 H new ATOM 0 HG22 ILE A 88 -4.507 2.399 -2.849 1.00 34.20 H new ATOM 0 HG23 ILE A 88 -5.231 1.284 -1.666 1.00 34.20 H new ATOM 0 HD11 ILE A 88 -2.244 -1.727 -0.960 1.00 22.54 H new ATOM 0 HD12 ILE A 88 -1.565 -0.658 -2.210 1.00 22.54 H new ATOM 0 HD13 ILE A 88 -2.460 0.035 -0.837 1.00 22.54 H new ATOM 1421 N HIS A 89 -4.821 1.525 -6.017 1.00 63.45 N ATOM 1422 CA HIS A 89 -5.043 2.706 -6.845 1.00 12.42 C ATOM 1423 C HIS A 89 -6.241 2.503 -7.769 1.00 2.13 C ATOM 1424 O HIS A 89 -6.936 3.488 -8.018 1.00 22.31 O ATOM 1425 CB HIS A 89 -3.796 3.019 -7.670 1.00 3.33 C ATOM 1426 CG HIS A 89 -2.629 3.470 -6.845 1.00 0.23 C ATOM 1427 ND1 HIS A 89 -2.761 4.262 -5.724 1.00 0.25 N ATOM 1428 CD2 HIS A 89 -1.303 3.233 -6.982 1.00 12.25 C ATOM 1429 CE1 HIS A 89 -1.568 4.494 -5.208 1.00 24.43 C ATOM 1430 NE2 HIS A 89 -0.665 3.879 -5.953 1.00 14.45 N ATOM 0 H HIS A 89 -4.126 0.876 -6.386 1.00 63.45 H new ATOM 0 HA HIS A 89 -5.253 3.548 -6.185 1.00 12.42 H new ATOM 0 HB2 HIS A 89 -3.511 2.130 -8.233 1.00 3.33 H new ATOM 0 HB3 HIS A 89 -4.037 3.794 -8.398 1.00 3.33 H new ATOM 0 HD2 HIS A 89 -0.834 2.645 -7.757 1.00 12.25 H new ATOM 0 HE1 HIS A 89 -1.364 5.085 -4.327 1.00 24.43 H new ATOM 0 HE2 HIS A 89 0.342 3.884 -5.789 1.00 14.45 H new ATOM 1438 N ALA A 90 -6.492 1.296 -8.266 1.00 4.41 N ATOM 1439 CA ALA A 90 -7.624 1.055 -9.151 1.00 25.50 C ATOM 1440 C ALA A 90 -8.889 0.754 -8.355 1.00 21.44 C ATOM 1441 O ALA A 90 -9.891 0.307 -8.910 1.00 40.14 O ATOM 1442 CB ALA A 90 -7.314 -0.089 -10.105 1.00 4.03 C ATOM 0 H ALA A 90 -5.926 0.470 -8.070 1.00 4.41 H new ATOM 0 HA ALA A 90 -7.798 1.961 -9.732 1.00 25.50 H new ATOM 0 HB1 ALA A 90 -8.168 -0.258 -10.760 1.00 4.03 H new ATOM 0 HB2 ALA A 90 -6.441 0.165 -10.706 1.00 4.03 H new ATOM 0 HB3 ALA A 90 -7.110 -0.994 -9.533 1.00 4.03 H new ATOM 1448 N GLU A 91 -8.833 1.001 -7.050 1.00 34.04 N ATOM 1449 CA GLU A 91 -9.976 0.754 -6.176 1.00 45.32 C ATOM 1450 C GLU A 91 -10.274 -0.740 -6.080 1.00 50.45 C ATOM 1451 O GLU A 91 -11.333 -1.141 -5.600 1.00 33.42 O ATOM 1452 CB GLU A 91 -11.208 1.501 -6.691 1.00 21.53 C ATOM 1453 CG GLU A 91 -12.140 1.968 -5.585 1.00 55.42 C ATOM 1454 CD GLU A 91 -13.552 2.217 -6.080 1.00 14.14 C ATOM 1455 OE1 GLU A 91 -13.704 2.834 -7.154 1.00 42.31 O ATOM 1456 OE2 GLU A 91 -14.505 1.795 -5.392 1.00 34.32 O ATOM 0 H GLU A 91 -8.010 1.371 -6.574 1.00 34.04 H new ATOM 0 HA GLU A 91 -9.728 1.121 -5.180 1.00 45.32 H new ATOM 0 HB2 GLU A 91 -10.883 2.365 -7.271 1.00 21.53 H new ATOM 0 HB3 GLU A 91 -11.760 0.851 -7.370 1.00 21.53 H new ATOM 0 HG2 GLU A 91 -12.163 1.219 -4.794 1.00 55.42 H new ATOM 0 HG3 GLU A 91 -11.746 2.884 -5.145 1.00 55.42 H new ATOM 1463 N GLU A 92 -9.332 -1.556 -6.544 1.00 33.42 N ATOM 1464 CA GLU A 92 -9.496 -3.004 -6.511 1.00 73.53 C ATOM 1465 C GLU A 92 -9.230 -3.552 -5.112 1.00 5.32 C ATOM 1466 O GLU A 92 -8.198 -3.263 -4.505 1.00 64.22 O ATOM 1467 CB GLU A 92 -8.554 -3.669 -7.517 1.00 53.04 C ATOM 1468 CG GLU A 92 -8.992 -3.503 -8.963 1.00 54.12 C ATOM 1469 CD GLU A 92 -9.833 -4.665 -9.454 1.00 60.34 C ATOM 1470 OE1 GLU A 92 -10.205 -5.522 -8.626 1.00 24.12 O ATOM 1471 OE2 GLU A 92 -10.120 -4.717 -10.668 1.00 55.04 O ATOM 0 H GLU A 92 -8.450 -1.239 -6.946 1.00 33.42 H new ATOM 0 HA GLU A 92 -10.527 -3.232 -6.782 1.00 73.53 H new ATOM 0 HB2 GLU A 92 -7.555 -3.250 -7.398 1.00 53.04 H new ATOM 0 HB3 GLU A 92 -8.483 -4.732 -7.287 1.00 53.04 H new ATOM 0 HG2 GLU A 92 -9.562 -2.579 -9.062 1.00 54.12 H new ATOM 0 HG3 GLU A 92 -8.111 -3.404 -9.597 1.00 54.12 H new ATOM 1478 N LYS A 93 -10.170 -4.341 -4.603 1.00 23.35 N ATOM 1479 CA LYS A 93 -10.038 -4.930 -3.275 1.00 62.00 C ATOM 1480 C LYS A 93 -9.640 -6.400 -3.368 1.00 53.04 C ATOM 1481 O LYS A 93 -10.224 -7.164 -4.137 1.00 55.32 O ATOM 1482 CB LYS A 93 -11.352 -4.795 -2.503 1.00 53.14 C ATOM 1483 CG LYS A 93 -12.476 -5.653 -3.059 1.00 10.15 C ATOM 1484 CD LYS A 93 -13.799 -4.905 -3.063 1.00 4.12 C ATOM 1485 CE LYS A 93 -14.046 -4.217 -4.397 1.00 35.32 C ATOM 1486 NZ LYS A 93 -15.454 -3.750 -4.527 1.00 52.11 N ATOM 0 H LYS A 93 -11.032 -4.588 -5.090 1.00 23.35 H new ATOM 0 HA LYS A 93 -9.253 -4.393 -2.743 1.00 62.00 H new ATOM 0 HB2 LYS A 93 -11.181 -5.066 -1.461 1.00 53.14 H new ATOM 0 HB3 LYS A 93 -11.664 -3.751 -2.514 1.00 53.14 H new ATOM 0 HG2 LYS A 93 -12.230 -5.964 -4.074 1.00 10.15 H new ATOM 0 HG3 LYS A 93 -12.572 -6.560 -2.462 1.00 10.15 H new ATOM 0 HD2 LYS A 93 -14.612 -5.601 -2.855 1.00 4.12 H new ATOM 0 HD3 LYS A 93 -13.801 -4.164 -2.264 1.00 4.12 H new ATOM 0 HE2 LYS A 93 -13.371 -3.367 -4.498 1.00 35.32 H new ATOM 0 HE3 LYS A 93 -13.815 -4.906 -5.209 1.00 35.32 H new ATOM 0 HZ1 LYS A 93 -15.582 -3.287 -5.449 1.00 52.11 H new ATOM 0 HZ2 LYS A 93 -16.098 -4.564 -4.456 1.00 52.11 H new ATOM 0 HZ3 LYS A 93 -15.667 -3.073 -3.767 1.00 52.11 H new ATOM 1500 N VAL A 94 -8.644 -6.790 -2.580 1.00 43.44 N ATOM 1501 CA VAL A 94 -8.170 -8.169 -2.572 1.00 33.22 C ATOM 1502 C VAL A 94 -7.756 -8.599 -1.169 1.00 63.32 C ATOM 1503 O VAL A 94 -7.224 -7.804 -0.395 1.00 44.31 O ATOM 1504 CB VAL A 94 -6.979 -8.359 -3.529 1.00 21.21 C ATOM 1505 CG1 VAL A 94 -7.410 -8.136 -4.970 1.00 61.23 C ATOM 1506 CG2 VAL A 94 -5.840 -7.421 -3.153 1.00 61.44 C ATOM 0 H VAL A 94 -8.149 -6.170 -1.938 1.00 43.44 H new ATOM 0 HA VAL A 94 -8.999 -8.791 -2.909 1.00 33.22 H new ATOM 0 HB VAL A 94 -6.621 -9.385 -3.437 1.00 21.21 H new ATOM 0 HG11 VAL A 94 -6.555 -8.275 -5.631 1.00 61.23 H new ATOM 0 HG12 VAL A 94 -8.190 -8.851 -5.231 1.00 61.23 H new ATOM 0 HG13 VAL A 94 -7.795 -7.122 -5.082 1.00 61.23 H new ATOM 0 HG21 VAL A 94 -5.006 -7.568 -3.839 1.00 61.44 H new ATOM 0 HG22 VAL A 94 -6.183 -6.388 -3.215 1.00 61.44 H new ATOM 0 HG23 VAL A 94 -5.514 -7.634 -2.135 1.00 61.44 H new ATOM 1516 N LYS A 95 -8.001 -9.865 -0.848 1.00 54.42 N ATOM 1517 CA LYS A 95 -7.653 -10.404 0.461 1.00 43.23 C ATOM 1518 C LYS A 95 -6.195 -10.851 0.494 1.00 2.50 C ATOM 1519 O LYS A 95 -5.550 -10.821 1.543 1.00 75.31 O ATOM 1520 CB LYS A 95 -8.566 -11.581 0.811 1.00 13.54 C ATOM 1521 CG LYS A 95 -9.430 -11.338 2.037 1.00 4.41 C ATOM 1522 CD LYS A 95 -10.849 -11.837 1.827 1.00 32.20 C ATOM 1523 CE LYS A 95 -11.580 -12.011 3.150 1.00 62.22 C ATOM 1524 NZ LYS A 95 -11.337 -13.355 3.745 1.00 52.34 N ATOM 0 H LYS A 95 -8.440 -10.537 -1.477 1.00 54.42 H new ATOM 0 HA LYS A 95 -7.790 -9.614 1.200 1.00 43.23 H new ATOM 0 HB2 LYS A 95 -9.211 -11.795 -0.041 1.00 13.54 H new ATOM 0 HB3 LYS A 95 -7.954 -12.467 0.978 1.00 13.54 H new ATOM 0 HG2 LYS A 95 -8.990 -11.841 2.898 1.00 4.41 H new ATOM 0 HG3 LYS A 95 -9.448 -10.272 2.265 1.00 4.41 H new ATOM 0 HD2 LYS A 95 -11.394 -11.133 1.199 1.00 32.20 H new ATOM 0 HD3 LYS A 95 -10.826 -12.788 1.295 1.00 32.20 H new ATOM 0 HE2 LYS A 95 -11.255 -11.240 3.849 1.00 62.22 H new ATOM 0 HE3 LYS A 95 -12.650 -11.870 2.995 1.00 62.22 H new ATOM 0 HZ1 LYS A 95 -11.852 -13.434 4.645 1.00 52.34 H new ATOM 0 HZ2 LYS A 95 -11.670 -14.090 3.089 1.00 52.34 H new ATOM 0 HZ3 LYS A 95 -10.319 -13.480 3.916 1.00 52.34 H new ATOM 1538 N ASP A 96 -5.681 -11.262 -0.659 1.00 1.52 N ATOM 1539 CA ASP A 96 -4.297 -11.712 -0.763 1.00 12.31 C ATOM 1540 C ASP A 96 -3.625 -11.121 -1.998 1.00 23.01 C ATOM 1541 O ASP A 96 -4.196 -10.276 -2.686 1.00 34.44 O ATOM 1542 CB ASP A 96 -4.238 -13.239 -0.815 1.00 61.25 C ATOM 1543 CG ASP A 96 -5.062 -13.812 -1.953 1.00 1.13 C ATOM 1544 OD1 ASP A 96 -6.263 -14.077 -1.740 1.00 23.54 O ATOM 1545 OD2 ASP A 96 -4.505 -13.995 -3.056 1.00 2.52 O ATOM 0 H ASP A 96 -6.201 -11.293 -1.536 1.00 1.52 H new ATOM 0 HA ASP A 96 -3.760 -11.366 0.120 1.00 12.31 H new ATOM 0 HB2 ASP A 96 -3.201 -13.556 -0.926 1.00 61.25 H new ATOM 0 HB3 ASP A 96 -4.597 -13.646 0.130 1.00 61.25 H new ATOM 1550 N THR A 97 -2.404 -11.571 -2.273 1.00 23.05 N ATOM 1551 CA THR A 97 -1.652 -11.087 -3.423 1.00 45.03 C ATOM 1552 C THR A 97 -2.022 -11.855 -4.686 1.00 24.44 C ATOM 1553 O THR A 97 -2.014 -11.302 -5.785 1.00 20.10 O ATOM 1554 CB THR A 97 -0.133 -11.204 -3.191 1.00 14.42 C ATOM 1555 OG1 THR A 97 0.267 -10.339 -2.122 1.00 53.14 O ATOM 1556 CG2 THR A 97 0.636 -10.846 -4.454 1.00 63.12 C ATOM 0 H THR A 97 -1.915 -12.270 -1.714 1.00 23.05 H new ATOM 0 HA THR A 97 -1.913 -10.036 -3.551 1.00 45.03 H new ATOM 0 HB THR A 97 0.094 -12.237 -2.927 1.00 14.42 H new ATOM 0 HG1 THR A 97 -0.155 -10.633 -1.288 1.00 53.14 H new ATOM 0 HG21 THR A 97 1.706 -10.936 -4.266 1.00 63.12 H new ATOM 0 HG22 THR A 97 0.351 -11.524 -5.258 1.00 63.12 H new ATOM 0 HG23 THR A 97 0.403 -9.821 -4.744 1.00 63.12 H new ATOM 1564 N GLU A 98 -2.346 -13.135 -4.521 1.00 12.52 N ATOM 1565 CA GLU A 98 -2.720 -13.978 -5.650 1.00 3.02 C ATOM 1566 C GLU A 98 -3.974 -13.444 -6.337 1.00 22.10 C ATOM 1567 O GLU A 98 -4.149 -13.606 -7.545 1.00 30.32 O ATOM 1568 CB GLU A 98 -2.954 -15.417 -5.184 1.00 61.04 C ATOM 1569 CG GLU A 98 -2.084 -16.437 -5.899 1.00 5.32 C ATOM 1570 CD GLU A 98 -2.355 -16.493 -7.390 1.00 32.34 C ATOM 1571 OE1 GLU A 98 -3.469 -16.110 -7.805 1.00 5.11 O ATOM 1572 OE2 GLU A 98 -1.453 -16.921 -8.140 1.00 61.33 O ATOM 0 H GLU A 98 -2.357 -13.609 -3.618 1.00 12.52 H new ATOM 0 HA GLU A 98 -1.900 -13.964 -6.368 1.00 3.02 H new ATOM 0 HB2 GLU A 98 -2.765 -15.478 -4.112 1.00 61.04 H new ATOM 0 HB3 GLU A 98 -4.002 -15.674 -5.338 1.00 61.04 H new ATOM 0 HG2 GLU A 98 -1.035 -16.193 -5.733 1.00 5.32 H new ATOM 0 HG3 GLU A 98 -2.255 -17.422 -5.465 1.00 5.32 H new ATOM 1579 N GLY A 99 -4.842 -12.808 -5.558 1.00 74.13 N ATOM 1580 CA GLY A 99 -6.069 -12.261 -6.108 1.00 51.24 C ATOM 1581 C GLY A 99 -5.826 -11.024 -6.951 1.00 60.24 C ATOM 1582 O GLY A 99 -6.471 -10.829 -7.980 1.00 34.24 O ATOM 0 H GLY A 99 -4.718 -12.661 -4.556 1.00 74.13 H new ATOM 0 HA2 GLY A 99 -6.561 -13.020 -6.716 1.00 51.24 H new ATOM 0 HA3 GLY A 99 -6.750 -12.014 -5.294 1.00 51.24 H new ATOM 1586 N ALA A 100 -4.892 -10.186 -6.513 1.00 12.41 N ATOM 1587 CA ALA A 100 -4.565 -8.962 -7.234 1.00 64.43 C ATOM 1588 C ALA A 100 -3.747 -9.265 -8.484 1.00 44.45 C ATOM 1589 O ALA A 100 -3.817 -8.537 -9.476 1.00 3.55 O ATOM 1590 CB ALA A 100 -3.811 -8.001 -6.328 1.00 4.35 C ATOM 0 H ALA A 100 -4.349 -10.332 -5.662 1.00 12.41 H new ATOM 0 HA ALA A 100 -5.498 -8.493 -7.546 1.00 64.43 H new ATOM 0 HB1 ALA A 100 -3.573 -7.091 -6.880 1.00 4.35 H new ATOM 0 HB2 ALA A 100 -4.430 -7.751 -5.466 1.00 4.35 H new ATOM 0 HB3 ALA A 100 -2.888 -8.470 -5.988 1.00 4.35 H new ATOM 1596 N LYS A 101 -2.970 -10.341 -8.433 1.00 31.12 N ATOM 1597 CA LYS A 101 -2.138 -10.741 -9.562 1.00 15.00 C ATOM 1598 C LYS A 101 -2.998 -11.108 -10.768 1.00 2.44 C ATOM 1599 O LYS A 101 -2.669 -10.763 -11.902 1.00 42.25 O ATOM 1600 CB LYS A 101 -1.253 -11.926 -9.174 1.00 63.50 C ATOM 1601 CG LYS A 101 0.221 -11.574 -9.060 1.00 14.24 C ATOM 1602 CD LYS A 101 1.063 -12.795 -8.733 1.00 51.35 C ATOM 1603 CE LYS A 101 0.799 -13.293 -7.321 1.00 34.31 C ATOM 1604 NZ LYS A 101 0.615 -14.771 -7.279 1.00 51.41 N ATOM 0 H LYS A 101 -2.899 -10.953 -7.620 1.00 31.12 H new ATOM 0 HA LYS A 101 -1.505 -9.896 -9.833 1.00 15.00 H new ATOM 0 HB2 LYS A 101 -1.596 -12.328 -8.221 1.00 63.50 H new ATOM 0 HB3 LYS A 101 -1.373 -12.716 -9.915 1.00 63.50 H new ATOM 0 HG2 LYS A 101 0.564 -11.135 -9.997 1.00 14.24 H new ATOM 0 HG3 LYS A 101 0.357 -10.819 -8.285 1.00 14.24 H new ATOM 0 HD2 LYS A 101 0.846 -13.590 -9.447 1.00 51.35 H new ATOM 0 HD3 LYS A 101 2.119 -12.549 -8.842 1.00 51.35 H new ATOM 0 HE2 LYS A 101 1.631 -13.012 -6.675 1.00 34.31 H new ATOM 0 HE3 LYS A 101 -0.091 -12.805 -6.924 1.00 34.31 H new ATOM 0 HZ1 LYS A 101 0.657 -15.098 -6.293 1.00 51.41 H new ATOM 0 HZ2 LYS A 101 -0.310 -15.017 -7.686 1.00 51.41 H new ATOM 0 HZ3 LYS A 101 1.369 -15.230 -7.829 1.00 51.41 H new ATOM 1618 N GLN A 102 -4.099 -11.806 -10.513 1.00 74.23 N ATOM 1619 CA GLN A 102 -5.005 -12.218 -11.579 1.00 40.31 C ATOM 1620 C GLN A 102 -5.757 -11.019 -12.149 1.00 43.22 C ATOM 1621 O GLN A 102 -5.781 -10.810 -13.362 1.00 52.11 O ATOM 1622 CB GLN A 102 -5.999 -13.258 -11.059 1.00 53.34 C ATOM 1623 CG GLN A 102 -5.573 -14.693 -11.322 1.00 74.24 C ATOM 1624 CD GLN A 102 -6.246 -15.286 -12.545 1.00 1.20 C ATOM 1625 OE1 GLN A 102 -7.418 -15.660 -12.504 1.00 22.34 O ATOM 1626 NE2 GLN A 102 -5.505 -15.374 -13.644 1.00 70.34 N ATOM 0 H GLN A 102 -4.386 -12.098 -9.579 1.00 74.23 H new ATOM 0 HA GLN A 102 -4.409 -12.662 -12.376 1.00 40.31 H new ATOM 0 HB2 GLN A 102 -6.130 -13.118 -9.986 1.00 53.34 H new ATOM 0 HB3 GLN A 102 -6.969 -13.085 -11.524 1.00 53.34 H new ATOM 0 HG2 GLN A 102 -4.492 -14.729 -11.454 1.00 74.24 H new ATOM 0 HG3 GLN A 102 -5.808 -15.304 -10.450 1.00 74.24 H new ATOM 0 HE21 GLN A 102 -4.537 -15.052 -13.634 1.00 70.34 H new ATOM 0 HE22 GLN A 102 -5.904 -15.764 -14.498 1.00 70.34 H new ATOM 1635 N ILE A 103 -6.368 -10.236 -11.266 1.00 63.25 N ATOM 1636 CA ILE A 103 -7.118 -9.058 -11.682 1.00 74.12 C ATOM 1637 C ILE A 103 -6.277 -8.160 -12.584 1.00 34.55 C ATOM 1638 O ILE A 103 -6.766 -7.637 -13.585 1.00 61.43 O ATOM 1639 CB ILE A 103 -7.600 -8.241 -10.468 1.00 75.25 C ATOM 1640 CG1 ILE A 103 -8.478 -9.105 -9.561 1.00 53.22 C ATOM 1641 CG2 ILE A 103 -8.360 -7.006 -10.929 1.00 64.43 C ATOM 1642 CD1 ILE A 103 -8.621 -8.556 -8.158 1.00 31.41 C ATOM 0 H ILE A 103 -6.358 -10.396 -10.259 1.00 63.25 H new ATOM 0 HA ILE A 103 -7.985 -9.416 -12.237 1.00 74.12 H new ATOM 0 HB ILE A 103 -6.729 -7.917 -9.898 1.00 75.25 H new ATOM 0 HG12 ILE A 103 -9.467 -9.199 -10.009 1.00 53.22 H new ATOM 0 HG13 ILE A 103 -8.056 -10.108 -9.509 1.00 53.22 H new ATOM 0 HG21 ILE A 103 -8.694 -6.439 -10.060 1.00 64.43 H new ATOM 0 HG22 ILE A 103 -7.706 -6.383 -11.539 1.00 64.43 H new ATOM 0 HG23 ILE A 103 -9.225 -7.310 -11.518 1.00 64.43 H new ATOM 0 HD11 ILE A 103 -9.256 -9.219 -7.571 1.00 31.41 H new ATOM 0 HD12 ILE A 103 -7.638 -8.488 -7.692 1.00 31.41 H new ATOM 0 HD13 ILE A 103 -9.072 -7.564 -8.199 1.00 31.41 H new ATOM 1654 N VAL A 104 -5.011 -7.987 -12.221 1.00 51.30 N ATOM 1655 CA VAL A 104 -4.100 -7.155 -12.999 1.00 14.30 C ATOM 1656 C VAL A 104 -3.755 -7.814 -14.329 1.00 63.12 C ATOM 1657 O VAL A 104 -3.846 -7.188 -15.386 1.00 25.21 O ATOM 1658 CB VAL A 104 -2.799 -6.872 -12.225 1.00 43.34 C ATOM 1659 CG1 VAL A 104 -1.829 -6.076 -13.085 1.00 1.05 C ATOM 1660 CG2 VAL A 104 -3.100 -6.137 -10.927 1.00 74.44 C ATOM 0 H VAL A 104 -4.592 -8.411 -11.393 1.00 51.30 H new ATOM 0 HA VAL A 104 -4.614 -6.212 -13.187 1.00 14.30 H new ATOM 0 HB VAL A 104 -2.330 -7.824 -11.976 1.00 43.34 H new ATOM 0 HG11 VAL A 104 -0.915 -5.885 -12.522 1.00 1.05 H new ATOM 0 HG12 VAL A 104 -1.589 -6.644 -13.984 1.00 1.05 H new ATOM 0 HG13 VAL A 104 -2.286 -5.127 -13.366 1.00 1.05 H new ATOM 0 HG21 VAL A 104 -2.169 -5.945 -10.393 1.00 74.44 H new ATOM 0 HG22 VAL A 104 -3.592 -5.190 -11.151 1.00 74.44 H new ATOM 0 HG23 VAL A 104 -3.755 -6.748 -10.306 1.00 74.44 H new ATOM 1670 N ARG A 105 -3.357 -9.080 -14.270 1.00 33.31 N ATOM 1671 CA ARG A 105 -2.996 -9.825 -15.471 1.00 61.31 C ATOM 1672 C ARG A 105 -4.096 -9.725 -16.523 1.00 41.44 C ATOM 1673 O ARG A 105 -3.828 -9.429 -17.688 1.00 63.05 O ATOM 1674 CB ARG A 105 -2.737 -11.293 -15.128 1.00 35.23 C ATOM 1675 CG ARG A 105 -1.984 -12.048 -16.211 1.00 43.22 C ATOM 1676 CD ARG A 105 -1.884 -13.531 -15.890 1.00 31.42 C ATOM 1677 NE ARG A 105 -1.271 -14.287 -16.978 1.00 40.32 N ATOM 1678 CZ ARG A 105 -0.723 -15.487 -16.822 1.00 3.13 C ATOM 1679 NH1 ARG A 105 -0.712 -16.065 -15.629 1.00 53.42 N ATOM 1680 NH2 ARG A 105 -0.184 -16.112 -17.862 1.00 14.24 N ATOM 0 H ARG A 105 -3.276 -9.612 -13.404 1.00 33.31 H new ATOM 0 HA ARG A 105 -2.085 -9.388 -15.879 1.00 61.31 H new ATOM 0 HB2 ARG A 105 -2.170 -11.346 -14.199 1.00 35.23 H new ATOM 0 HB3 ARG A 105 -3.691 -11.789 -14.947 1.00 35.23 H new ATOM 0 HG2 ARG A 105 -2.490 -11.915 -17.167 1.00 43.22 H new ATOM 0 HG3 ARG A 105 -0.983 -11.630 -16.319 1.00 43.22 H new ATOM 0 HD2 ARG A 105 -1.299 -13.666 -14.980 1.00 31.42 H new ATOM 0 HD3 ARG A 105 -2.880 -13.926 -15.690 1.00 31.42 H new ATOM 0 HE ARG A 105 -1.263 -13.871 -17.909 1.00 40.32 H new ATOM 0 HH11 ARG A 105 -1.125 -15.588 -14.827 1.00 53.42 H new ATOM 0 HH12 ARG A 105 -0.290 -16.986 -15.513 1.00 53.42 H new ATOM 0 HH21 ARG A 105 -0.190 -15.671 -18.782 1.00 14.24 H new ATOM 0 HH22 ARG A 105 0.237 -17.033 -17.741 1.00 14.24 H new ATOM 1694 N ARG A 106 -5.333 -9.972 -16.106 1.00 62.21 N ATOM 1695 CA ARG A 106 -6.472 -9.911 -17.013 1.00 43.14 C ATOM 1696 C ARG A 106 -6.621 -8.512 -17.605 1.00 73.43 C ATOM 1697 O ARG A 106 -6.759 -8.351 -18.818 1.00 33.51 O ATOM 1698 CB ARG A 106 -7.756 -10.306 -16.282 1.00 34.43 C ATOM 1699 CG ARG A 106 -8.116 -11.775 -16.435 1.00 11.11 C ATOM 1700 CD ARG A 106 -9.457 -12.089 -15.788 1.00 23.42 C ATOM 1701 NE ARG A 106 -9.727 -13.525 -15.760 1.00 4.13 N ATOM 1702 CZ ARG A 106 -10.155 -14.213 -16.813 1.00 13.43 C ATOM 1703 NH1 ARG A 106 -10.360 -13.600 -17.970 1.00 40.45 N ATOM 1704 NH2 ARG A 106 -10.379 -15.517 -16.709 1.00 4.40 N ATOM 0 H ARG A 106 -5.572 -10.216 -15.145 1.00 62.21 H new ATOM 0 HA ARG A 106 -6.294 -10.615 -17.826 1.00 43.14 H new ATOM 0 HB2 ARG A 106 -7.646 -10.076 -15.222 1.00 34.43 H new ATOM 0 HB3 ARG A 106 -8.579 -9.698 -16.657 1.00 34.43 H new ATOM 0 HG2 ARG A 106 -8.151 -12.034 -17.493 1.00 11.11 H new ATOM 0 HG3 ARG A 106 -7.339 -12.391 -15.982 1.00 11.11 H new ATOM 0 HD2 ARG A 106 -9.470 -11.698 -14.771 1.00 23.42 H new ATOM 0 HD3 ARG A 106 -10.251 -11.581 -16.335 1.00 23.42 H new ATOM 0 HE ARG A 106 -9.579 -14.026 -14.884 1.00 4.13 H new ATOM 0 HH11 ARG A 106 -10.189 -12.598 -18.054 1.00 40.45 H new ATOM 0 HH12 ARG A 106 -10.689 -14.130 -18.777 1.00 40.45 H new ATOM 0 HH21 ARG A 106 -10.223 -15.992 -15.820 1.00 4.40 H new ATOM 0 HH22 ARG A 106 -10.708 -16.044 -17.518 1.00 4.40 H new ATOM 1718 N HIS A 107 -6.594 -7.503 -16.740 1.00 71.32 N ATOM 1719 CA HIS A 107 -6.726 -6.117 -17.176 1.00 41.02 C ATOM 1720 C HIS A 107 -5.662 -5.771 -18.213 1.00 44.41 C ATOM 1721 O HIS A 107 -5.989 -5.018 -19.131 1.00 3.52 O ATOM 1722 CB HIS A 107 -6.616 -5.170 -15.981 1.00 24.14 C ATOM 1723 CG HIS A 107 -7.856 -5.120 -15.141 1.00 5.35 C ATOM 1724 ND1 HIS A 107 -9.127 -5.192 -15.670 1.00 65.12 N ATOM 1725 CD2 HIS A 107 -8.013 -5.003 -13.801 1.00 75.55 C ATOM 1726 CE1 HIS A 107 -10.013 -5.122 -14.693 1.00 4.10 C ATOM 1727 NE2 HIS A 107 -9.363 -5.008 -13.548 1.00 12.13 N ATOM 0 H HIS A 107 -6.482 -7.619 -15.733 1.00 71.32 H new ATOM 0 HA HIS A 107 -7.708 -5.999 -17.634 1.00 41.02 H new ATOM 0 HB2 HIS A 107 -5.777 -5.480 -15.358 1.00 24.14 H new ATOM 0 HB3 HIS A 107 -6.391 -4.167 -16.342 1.00 24.14 H new ATOM 0 HD2 HIS A 107 -7.224 -4.921 -13.068 1.00 75.55 H new ATOM 0 HE1 HIS A 107 -11.086 -5.153 -14.810 1.00 4.10 H new ATOM 0 HE2 HIS A 107 -9.794 -4.936 -12.626 1.00 12.13 H new ATOM 1735 N LEU A 108 -4.440 -6.281 -18.096 1.00 74.34 N ATOM 1736 CA LEU A 108 -3.390 -5.980 -19.063 1.00 52.44 C ATOM 1737 C LEU A 108 -3.712 -6.586 -20.425 1.00 22.10 C ATOM 1738 O LEU A 108 -3.440 -5.985 -21.464 1.00 62.10 O ATOM 1739 CB LEU A 108 -2.044 -6.505 -18.563 1.00 23.34 C ATOM 1740 CG LEU A 108 -1.496 -5.850 -17.295 1.00 31.25 C ATOM 1741 CD1 LEU A 108 -0.598 -6.818 -16.539 1.00 31.43 C ATOM 1742 CD2 LEU A 108 -0.740 -4.575 -17.636 1.00 40.52 C ATOM 0 H LEU A 108 -4.152 -6.904 -17.342 1.00 74.34 H new ATOM 0 HA LEU A 108 -3.332 -4.897 -19.174 1.00 52.44 H new ATOM 0 HB2 LEU A 108 -2.139 -7.576 -18.383 1.00 23.34 H new ATOM 0 HB3 LEU A 108 -1.310 -6.380 -19.359 1.00 23.34 H new ATOM 0 HG LEU A 108 -2.337 -5.589 -16.653 1.00 31.25 H new ATOM 0 HD11 LEU A 108 -0.217 -6.334 -15.640 1.00 31.43 H new ATOM 0 HD12 LEU A 108 -1.170 -7.703 -16.261 1.00 31.43 H new ATOM 0 HD13 LEU A 108 0.238 -7.111 -17.175 1.00 31.43 H new ATOM 0 HD21 LEU A 108 -0.357 -4.123 -16.721 1.00 40.52 H new ATOM 0 HD22 LEU A 108 0.092 -4.812 -18.299 1.00 40.52 H new ATOM 0 HD23 LEU A 108 -1.412 -3.875 -18.133 1.00 40.52 H new