USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 713 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 88 THR OG1 : rot 180:sc= -0.044 USER MOD Set 1.2: A 91 GLN : amide:sc= 0.0605 K(o=0.016,f=-1.5) USER MOD Set 2.1: A 69 ASN : amide:sc= -0.0231 X(o=-0.69,f=-1.1) USER MOD Set 2.2: A 100 MET CE :methyl 177:sc= -0.664 (180deg=-0.691) USER MOD Set 3.1: A 25 GLN : amide:sc= -1.47 X(o=-4.9,f=-4.5) USER MOD Set 3.2: A 30 HIS : no HE2:sc= -2.54 K(o=-4.9,f=-5.6!) USER MOD Set 3.3: A 37 CYS SG : rot -60:sc= -0.911 USER MOD Set 4.1: A 21 THR OG1 : rot 75:sc= 0.432 USER MOD Set 4.2: A 41 SER OG : rot -99:sc= -0.43 USER MOD Single : A 14 ASN : amide:sc=-0.00388 X(o=-0.0039,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot -150:sc= -2.19 USER MOD Single : A 19 MET CE :methyl -163:sc= -0.771 (180deg=-1.5) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 43 GLN : amide:sc= -0.0468 X(o=-0.047,f=0) USER MOD Single : A 47 CYS SG : rot 98:sc= 0.302 USER MOD Single : A 54 ASN : amide:sc= -0.0977 X(o=-0.098,f=0) USER MOD Single : A 55 THR OG1 : rot -16:sc= 0.619 USER MOD Single : A 57 MET CE :methyl -164:sc= -0.0889 (180deg=-0.434) USER MOD Single : A 58 LYS NZ :NH3+ -144:sc= 0.269 (180deg=-0.26) USER MOD Single : A 59 TYR OH : rot 12:sc= -0.144 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= 0.257 X(o=0.26,f=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -0.0869 X(o=-0.087,f=-0.32) USER MOD Single : A 81 ASN : amide:sc= 0.688 K(o=0.69,f=0) USER MOD Single : A 84 CYS SG : rot 84:sc= 0.698 USER MOD Single : A 90 GLN : amide:sc= -0.228 X(o=-0.23,f=-0.046) USER MOD Single : A 95 MET CE :methyl -113:sc= -0.461 (180deg=-4.56!) USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.0789 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 146 N ALA A 11 -6.918 17.811 -3.937 1.00 53.35 N ATOM 147 CA ALA A 11 -7.145 16.708 -4.935 1.00 20.21 C ATOM 148 C ALA A 11 -5.916 15.760 -5.160 1.00 42.12 C ATOM 149 O ALA A 11 -6.088 14.619 -5.612 1.00 53.12 O ATOM 150 CB ALA A 11 -7.661 17.260 -6.279 1.00 35.11 C ATOM 0 HA ALA A 11 -7.915 16.083 -4.483 1.00 20.21 H new ATOM 0 HB1 ALA A 11 -7.814 16.436 -6.976 1.00 35.11 H new ATOM 0 HB2 ALA A 11 -8.605 17.781 -6.120 1.00 35.11 H new ATOM 0 HB3 ALA A 11 -6.929 17.954 -6.692 1.00 35.11 H new ATOM 156 N VAL A 12 -4.696 16.237 -4.828 1.00 0.42 N ATOM 157 CA VAL A 12 -3.417 15.507 -5.065 1.00 1.12 C ATOM 158 C VAL A 12 -3.366 14.175 -4.280 1.00 43.45 C ATOM 159 O VAL A 12 -3.018 13.115 -4.829 1.00 0.44 O ATOM 160 CB VAL A 12 -2.174 16.392 -4.652 1.00 1.32 C ATOM 161 CG1 VAL A 12 -0.830 15.696 -4.998 1.00 21.23 C ATOM 162 CG2 VAL A 12 -2.253 17.809 -5.282 1.00 43.34 C ATOM 0 H VAL A 12 -4.563 17.146 -4.384 1.00 0.42 H new ATOM 0 HA VAL A 12 -3.373 15.290 -6.132 1.00 1.12 H new ATOM 0 HB VAL A 12 -2.209 16.508 -3.569 1.00 1.32 H new ATOM 0 HG11 VAL A 12 -0.001 16.337 -4.698 1.00 21.23 H new ATOM 0 HG12 VAL A 12 -0.765 14.746 -4.467 1.00 21.23 H new ATOM 0 HG13 VAL A 12 -0.780 15.516 -6.072 1.00 21.23 H new ATOM 0 HG21 VAL A 12 -1.383 18.391 -4.978 1.00 43.34 H new ATOM 0 HG22 VAL A 12 -2.271 17.724 -6.369 1.00 43.34 H new ATOM 0 HG23 VAL A 12 -3.161 18.308 -4.942 1.00 43.34 H new ATOM 172 N ARG A 13 -3.731 14.257 -2.987 1.00 23.24 N ATOM 173 CA ARG A 13 -3.715 13.101 -2.073 1.00 72.34 C ATOM 174 C ARG A 13 -4.831 12.083 -2.401 1.00 42.05 C ATOM 175 O ARG A 13 -4.682 10.887 -2.147 1.00 45.22 O ATOM 176 CB ARG A 13 -3.820 13.557 -0.602 1.00 13.31 C ATOM 177 CG ARG A 13 -5.179 14.175 -0.163 1.00 21.13 C ATOM 178 CD ARG A 13 -5.358 14.147 1.371 1.00 33.24 C ATOM 179 NE ARG A 13 -5.081 12.798 1.871 1.00 23.23 N ATOM 180 CZ ARG A 13 -5.853 12.056 2.599 1.00 1.30 C ATOM 181 NH1 ARG A 13 -6.900 12.507 3.215 1.00 12.12 N ATOM 182 NH2 ARG A 13 -5.530 10.834 2.735 1.00 15.20 N ATOM 0 H ARG A 13 -4.044 15.123 -2.548 1.00 23.24 H new ATOM 0 HA ARG A 13 -2.759 12.598 -2.217 1.00 72.34 H new ATOM 0 HB2 ARG A 13 -3.613 12.699 0.037 1.00 13.31 H new ATOM 0 HB3 ARG A 13 -3.035 14.290 -0.415 1.00 13.31 H new ATOM 0 HG2 ARG A 13 -5.240 15.204 -0.517 1.00 21.13 H new ATOM 0 HG3 ARG A 13 -5.995 13.627 -0.633 1.00 21.13 H new ATOM 0 HD2 ARG A 13 -4.685 14.865 1.839 1.00 33.24 H new ATOM 0 HD3 ARG A 13 -6.373 14.443 1.635 1.00 33.24 H new ATOM 0 HE ARG A 13 -4.178 12.398 1.617 1.00 23.23 H new ATOM 0 HH11 ARG A 13 -7.151 13.493 3.139 1.00 12.12 H new ATOM 0 HH12 ARG A 13 -7.473 11.876 3.776 1.00 12.12 H new ATOM 0 HH21 ARG A 13 -4.691 10.474 2.279 1.00 15.20 H new ATOM 0 HH22 ARG A 13 -6.110 10.213 3.300 1.00 15.20 H new ATOM 196 N ASN A 14 -5.959 12.583 -2.957 1.00 24.44 N ATOM 197 CA ASN A 14 -7.072 11.724 -3.418 1.00 64.23 C ATOM 198 C ASN A 14 -6.614 10.833 -4.587 1.00 64.10 C ATOM 199 O ASN A 14 -7.006 9.668 -4.669 1.00 42.33 O ATOM 200 CB ASN A 14 -8.282 12.588 -3.845 1.00 24.14 C ATOM 201 CG ASN A 14 -9.518 11.767 -4.248 1.00 74.31 C ATOM 202 OD1 ASN A 14 -10.357 11.431 -3.416 1.00 4.21 O ATOM 203 ND2 ASN A 14 -9.648 11.445 -5.521 1.00 44.13 N ATOM 0 H ASN A 14 -6.121 13.580 -3.097 1.00 24.44 H new ATOM 0 HA ASN A 14 -7.378 11.084 -2.591 1.00 64.23 H new ATOM 0 HB2 ASN A 14 -8.550 13.252 -3.024 1.00 24.14 H new ATOM 0 HB3 ASN A 14 -7.988 13.220 -4.683 1.00 24.14 H new ATOM 0 HD21 ASN A 14 -10.457 10.907 -5.831 1.00 44.13 H new ATOM 0 HD22 ASN A 14 -8.939 11.734 -6.195 1.00 44.13 H new ATOM 210 N LYS A 15 -5.775 11.406 -5.480 1.00 73.11 N ATOM 211 CA LYS A 15 -5.179 10.664 -6.605 1.00 11.01 C ATOM 212 C LYS A 15 -4.255 9.534 -6.100 1.00 55.14 C ATOM 213 O LYS A 15 -4.310 8.412 -6.602 1.00 64.22 O ATOM 214 CB LYS A 15 -4.415 11.600 -7.569 1.00 31.25 C ATOM 215 CG LYS A 15 -3.896 10.866 -8.832 1.00 43.42 C ATOM 216 CD LYS A 15 -3.397 11.814 -9.934 1.00 32.01 C ATOM 217 CE LYS A 15 -3.012 11.052 -11.216 1.00 12.24 C ATOM 218 NZ LYS A 15 -2.677 11.969 -12.330 1.00 32.44 N ATOM 0 H LYS A 15 -5.497 12.386 -5.439 1.00 73.11 H new ATOM 0 HA LYS A 15 -6.000 10.213 -7.162 1.00 11.01 H new ATOM 0 HB2 LYS A 15 -5.071 12.416 -7.872 1.00 31.25 H new ATOM 0 HB3 LYS A 15 -3.572 12.048 -7.042 1.00 31.25 H new ATOM 0 HG2 LYS A 15 -3.085 10.197 -8.545 1.00 43.42 H new ATOM 0 HG3 LYS A 15 -4.695 10.244 -9.234 1.00 43.42 H new ATOM 0 HD2 LYS A 15 -4.174 12.543 -10.165 1.00 32.01 H new ATOM 0 HD3 LYS A 15 -2.534 12.372 -9.570 1.00 32.01 H new ATOM 0 HE2 LYS A 15 -2.159 10.405 -11.010 1.00 12.24 H new ATOM 0 HE3 LYS A 15 -3.837 10.406 -11.515 1.00 12.24 H new ATOM 0 HZ1 LYS A 15 -2.424 11.414 -13.172 1.00 32.44 H new ATOM 0 HZ2 LYS A 15 -3.499 12.569 -12.545 1.00 32.44 H new ATOM 0 HZ3 LYS A 15 -1.873 12.569 -12.056 1.00 32.44 H new ATOM 232 N CYS A 16 -3.418 9.842 -5.092 1.00 52.11 N ATOM 233 CA CYS A 16 -2.546 8.836 -4.437 1.00 71.20 C ATOM 234 C CYS A 16 -3.373 7.663 -3.864 1.00 2.23 C ATOM 235 O CYS A 16 -3.092 6.501 -4.161 1.00 13.32 O ATOM 236 CB CYS A 16 -1.719 9.476 -3.310 1.00 62.24 C ATOM 237 SG CYS A 16 -0.726 8.296 -2.371 1.00 50.23 S ATOM 0 H CYS A 16 -3.324 10.782 -4.709 1.00 52.11 H new ATOM 0 HA CYS A 16 -1.871 8.449 -5.201 1.00 71.20 H new ATOM 0 HB2 CYS A 16 -1.060 10.230 -3.740 1.00 62.24 H new ATOM 0 HB3 CYS A 16 -2.393 9.994 -2.627 1.00 62.24 H new ATOM 0 HG CYS A 16 -0.590 8.719 -1.149 1.00 50.23 H new ATOM 243 N ARG A 17 -4.426 8.007 -3.096 1.00 54.51 N ATOM 244 CA ARG A 17 -5.333 7.031 -2.450 1.00 3.12 C ATOM 245 C ARG A 17 -6.034 6.113 -3.478 1.00 15.01 C ATOM 246 O ARG A 17 -5.983 4.899 -3.345 1.00 33.30 O ATOM 247 CB ARG A 17 -6.379 7.783 -1.578 1.00 63.44 C ATOM 248 CG ARG A 17 -7.425 6.881 -0.871 1.00 52.42 C ATOM 249 CD ARG A 17 -8.369 7.683 0.044 1.00 33.05 C ATOM 250 NE ARG A 17 -9.498 6.875 0.535 1.00 11.41 N ATOM 251 CZ ARG A 17 -10.253 7.171 1.571 1.00 42.30 C ATOM 252 NH1 ARG A 17 -9.939 8.135 2.389 1.00 74.31 N ATOM 253 NH2 ARG A 17 -11.289 6.448 1.828 1.00 44.23 N ATOM 0 H ARG A 17 -4.675 8.977 -2.904 1.00 54.51 H new ATOM 0 HA ARG A 17 -4.729 6.385 -1.813 1.00 3.12 H new ATOM 0 HB2 ARG A 17 -5.849 8.359 -0.820 1.00 63.44 H new ATOM 0 HB3 ARG A 17 -6.907 8.498 -2.209 1.00 63.44 H new ATOM 0 HG2 ARG A 17 -8.013 6.354 -1.622 1.00 52.42 H new ATOM 0 HG3 ARG A 17 -6.908 6.124 -0.281 1.00 52.42 H new ATOM 0 HD2 ARG A 17 -7.806 8.069 0.894 1.00 33.05 H new ATOM 0 HD3 ARG A 17 -8.753 8.545 -0.501 1.00 33.05 H new ATOM 0 HE ARG A 17 -9.712 6.015 0.030 1.00 11.41 H new ATOM 0 HH11 ARG A 17 -9.091 8.680 2.233 1.00 74.31 H new ATOM 0 HH12 ARG A 17 -10.541 8.345 3.185 1.00 74.31 H new ATOM 0 HH21 ARG A 17 -11.518 5.654 1.230 1.00 44.23 H new ATOM 0 HH22 ARG A 17 -11.880 6.670 2.629 1.00 44.23 H new ATOM 267 N GLU A 18 -6.649 6.706 -4.520 1.00 44.11 N ATOM 268 CA GLU A 18 -7.447 5.949 -5.521 1.00 64.02 C ATOM 269 C GLU A 18 -6.569 5.008 -6.390 1.00 11.41 C ATOM 270 O GLU A 18 -7.027 3.948 -6.811 1.00 53.15 O ATOM 271 CB GLU A 18 -8.257 6.915 -6.430 1.00 20.33 C ATOM 272 CG GLU A 18 -7.407 7.777 -7.379 1.00 2.23 C ATOM 273 CD GLU A 18 -8.230 8.734 -8.249 1.00 22.12 C ATOM 274 OE1 GLU A 18 -8.527 9.860 -7.801 1.00 45.54 O ATOM 275 OE2 GLU A 18 -8.586 8.361 -9.391 1.00 4.14 O ATOM 0 H GLU A 18 -6.612 7.710 -4.696 1.00 44.11 H new ATOM 0 HA GLU A 18 -8.140 5.323 -4.959 1.00 64.02 H new ATOM 0 HB2 GLU A 18 -8.958 6.329 -7.025 1.00 20.33 H new ATOM 0 HB3 GLU A 18 -8.850 7.575 -5.797 1.00 20.33 H new ATOM 0 HG2 GLU A 18 -6.696 8.357 -6.790 1.00 2.23 H new ATOM 0 HG3 GLU A 18 -6.825 7.122 -8.027 1.00 2.23 H new ATOM 282 N MET A 19 -5.316 5.423 -6.671 1.00 53.10 N ATOM 283 CA MET A 19 -4.343 4.602 -7.438 1.00 44.43 C ATOM 284 C MET A 19 -3.744 3.433 -6.593 1.00 14.51 C ATOM 285 O MET A 19 -3.528 2.332 -7.115 1.00 53.14 O ATOM 286 CB MET A 19 -3.214 5.489 -8.010 1.00 75.21 C ATOM 287 CG MET A 19 -3.646 6.555 -9.030 1.00 64.40 C ATOM 288 SD MET A 19 -2.234 7.469 -9.715 1.00 64.42 S ATOM 289 CE MET A 19 -1.392 8.041 -8.235 1.00 21.42 C ATOM 0 H MET A 19 -4.948 6.328 -6.378 1.00 53.10 H new ATOM 0 HA MET A 19 -4.894 4.149 -8.262 1.00 44.43 H new ATOM 0 HB2 MET A 19 -2.716 5.990 -7.180 1.00 75.21 H new ATOM 0 HB3 MET A 19 -2.474 4.842 -8.482 1.00 75.21 H new ATOM 0 HG2 MET A 19 -4.194 6.077 -9.842 1.00 64.40 H new ATOM 0 HG3 MET A 19 -4.331 7.255 -8.552 1.00 64.40 H new ATOM 0 HE1 MET A 19 -0.705 8.846 -8.495 1.00 21.42 H new ATOM 0 HE2 MET A 19 -2.126 8.408 -7.518 1.00 21.42 H new ATOM 0 HE3 MET A 19 -0.834 7.216 -7.792 1.00 21.42 H new ATOM 299 N LEU A 20 -3.459 3.687 -5.294 1.00 50.02 N ATOM 300 CA LEU A 20 -3.055 2.623 -4.324 1.00 12.43 C ATOM 301 C LEU A 20 -4.209 1.602 -4.128 1.00 3.03 C ATOM 302 O LEU A 20 -3.979 0.398 -3.986 1.00 65.34 O ATOM 303 CB LEU A 20 -2.663 3.238 -2.948 1.00 23.32 C ATOM 304 CG LEU A 20 -1.367 4.113 -2.895 1.00 71.24 C ATOM 305 CD1 LEU A 20 -1.226 4.815 -1.515 1.00 63.13 C ATOM 306 CD2 LEU A 20 -0.108 3.273 -3.226 1.00 52.24 C ATOM 0 H LEU A 20 -3.500 4.621 -4.885 1.00 50.02 H new ATOM 0 HA LEU A 20 -2.186 2.110 -4.736 1.00 12.43 H new ATOM 0 HB2 LEU A 20 -3.497 3.849 -2.602 1.00 23.32 H new ATOM 0 HB3 LEU A 20 -2.548 2.422 -2.234 1.00 23.32 H new ATOM 0 HG LEU A 20 -1.456 4.887 -3.657 1.00 71.24 H new ATOM 0 HD11 LEU A 20 -0.317 5.417 -1.504 1.00 63.13 H new ATOM 0 HD12 LEU A 20 -2.089 5.458 -1.344 1.00 63.13 H new ATOM 0 HD13 LEU A 20 -1.172 4.063 -0.728 1.00 63.13 H new ATOM 0 HD21 LEU A 20 0.776 3.909 -3.181 1.00 52.24 H new ATOM 0 HD22 LEU A 20 -0.010 2.464 -2.502 1.00 52.24 H new ATOM 0 HD23 LEU A 20 -0.203 2.854 -4.228 1.00 52.24 H new ATOM 318 N THR A 21 -5.451 2.131 -4.119 1.00 25.43 N ATOM 319 CA THR A 21 -6.694 1.326 -4.091 1.00 24.12 C ATOM 320 C THR A 21 -6.836 0.489 -5.384 1.00 10.51 C ATOM 321 O THR A 21 -7.210 -0.680 -5.335 1.00 35.53 O ATOM 322 CB THR A 21 -7.967 2.239 -3.931 1.00 21.21 C ATOM 323 OG1 THR A 21 -7.920 2.972 -2.697 1.00 75.14 O ATOM 324 CG2 THR A 21 -9.281 1.439 -3.971 1.00 10.14 C ATOM 0 H THR A 21 -5.622 3.136 -4.131 1.00 25.43 H new ATOM 0 HA THR A 21 -6.624 0.661 -3.230 1.00 24.12 H new ATOM 0 HB THR A 21 -7.952 2.923 -4.780 1.00 21.21 H new ATOM 0 HG1 THR A 21 -7.266 3.698 -2.773 1.00 75.14 H new ATOM 0 HG21 THR A 21 -10.125 2.119 -3.856 1.00 10.14 H new ATOM 0 HG22 THR A 21 -9.361 0.919 -4.926 1.00 10.14 H new ATOM 0 HG23 THR A 21 -9.289 0.711 -3.160 1.00 10.14 H new ATOM 332 N ALA A 22 -6.516 1.120 -6.532 1.00 22.32 N ATOM 333 CA ALA A 22 -6.554 0.478 -7.867 1.00 44.22 C ATOM 334 C ALA A 22 -5.550 -0.692 -7.969 1.00 14.13 C ATOM 335 O ALA A 22 -5.786 -1.639 -8.703 1.00 41.35 O ATOM 336 CB ALA A 22 -6.285 1.511 -8.966 1.00 62.44 C ATOM 0 H ALA A 22 -6.222 2.096 -6.562 1.00 22.32 H new ATOM 0 HA ALA A 22 -7.554 0.066 -8.005 1.00 44.22 H new ATOM 0 HB1 ALA A 22 -6.317 1.023 -9.940 1.00 62.44 H new ATOM 0 HB2 ALA A 22 -7.045 2.291 -8.926 1.00 62.44 H new ATOM 0 HB3 ALA A 22 -5.301 1.955 -8.815 1.00 62.44 H new ATOM 342 N ALA A 23 -4.424 -0.593 -7.234 1.00 41.40 N ATOM 343 CA ALA A 23 -3.459 -1.709 -7.077 1.00 25.44 C ATOM 344 C ALA A 23 -4.109 -2.903 -6.330 1.00 44.41 C ATOM 345 O ALA A 23 -3.927 -4.060 -6.707 1.00 64.41 O ATOM 346 CB ALA A 23 -2.203 -1.227 -6.337 1.00 71.13 C ATOM 0 H ALA A 23 -4.156 0.255 -6.734 1.00 41.40 H new ATOM 0 HA ALA A 23 -3.168 -2.052 -8.070 1.00 25.44 H new ATOM 0 HB1 ALA A 23 -1.504 -2.056 -6.229 1.00 71.13 H new ATOM 0 HB2 ALA A 23 -1.731 -0.426 -6.905 1.00 71.13 H new ATOM 0 HB3 ALA A 23 -2.482 -0.856 -5.351 1.00 71.13 H new ATOM 352 N LEU A 24 -4.893 -2.587 -5.281 1.00 0.15 N ATOM 353 CA LEU A 24 -5.654 -3.595 -4.491 1.00 1.12 C ATOM 354 C LEU A 24 -6.931 -4.095 -5.238 1.00 71.24 C ATOM 355 O LEU A 24 -7.594 -5.033 -4.784 1.00 2.25 O ATOM 356 CB LEU A 24 -6.041 -2.995 -3.110 1.00 10.02 C ATOM 357 CG LEU A 24 -4.861 -2.458 -2.230 1.00 63.21 C ATOM 358 CD1 LEU A 24 -5.381 -1.863 -0.897 1.00 61.25 C ATOM 359 CD2 LEU A 24 -3.792 -3.557 -1.985 1.00 35.54 C ATOM 0 H LEU A 24 -5.022 -1.630 -4.952 1.00 0.15 H new ATOM 0 HA LEU A 24 -5.006 -4.460 -4.351 1.00 1.12 H new ATOM 0 HB2 LEU A 24 -6.743 -2.178 -3.277 1.00 10.02 H new ATOM 0 HB3 LEU A 24 -6.571 -3.759 -2.542 1.00 10.02 H new ATOM 0 HG LEU A 24 -4.377 -1.652 -2.782 1.00 63.21 H new ATOM 0 HD11 LEU A 24 -4.539 -1.499 -0.308 1.00 61.25 H new ATOM 0 HD12 LEU A 24 -6.061 -1.037 -1.108 1.00 61.25 H new ATOM 0 HD13 LEU A 24 -5.909 -2.634 -0.336 1.00 61.25 H new ATOM 0 HD21 LEU A 24 -2.987 -3.152 -1.371 1.00 35.54 H new ATOM 0 HD22 LEU A 24 -4.250 -4.402 -1.471 1.00 35.54 H new ATOM 0 HD23 LEU A 24 -3.387 -3.890 -2.941 1.00 35.54 H new ATOM 371 N GLN A 25 -7.275 -3.443 -6.369 1.00 73.12 N ATOM 372 CA GLN A 25 -8.459 -3.788 -7.208 1.00 10.13 C ATOM 373 C GLN A 25 -8.072 -4.294 -8.620 1.00 74.13 C ATOM 374 O GLN A 25 -8.948 -4.761 -9.359 1.00 13.51 O ATOM 375 CB GLN A 25 -9.384 -2.545 -7.344 1.00 64.25 C ATOM 376 CG GLN A 25 -10.053 -2.088 -6.034 1.00 55.21 C ATOM 377 CD GLN A 25 -10.929 -0.834 -6.159 1.00 5.50 C ATOM 378 OE1 GLN A 25 -11.932 -0.698 -5.470 1.00 71.03 O ATOM 379 NE2 GLN A 25 -10.534 0.118 -6.981 1.00 13.13 N ATOM 0 H GLN A 25 -6.740 -2.655 -6.734 1.00 73.12 H new ATOM 0 HA GLN A 25 -8.978 -4.602 -6.703 1.00 10.13 H new ATOM 0 HB2 GLN A 25 -8.799 -1.717 -7.744 1.00 64.25 H new ATOM 0 HB3 GLN A 25 -10.162 -2.768 -8.074 1.00 64.25 H new ATOM 0 HG2 GLN A 25 -10.665 -2.905 -5.652 1.00 55.21 H new ATOM 0 HG3 GLN A 25 -9.276 -1.898 -5.293 1.00 55.21 H new ATOM 0 HE21 GLN A 25 -9.696 -0.013 -7.547 1.00 13.13 H new ATOM 0 HE22 GLN A 25 -11.067 0.985 -7.051 1.00 13.13 H new ATOM 388 N THR A 26 -6.771 -4.221 -8.983 1.00 51.25 N ATOM 389 CA THR A 26 -6.299 -4.467 -10.380 1.00 61.31 C ATOM 390 C THR A 26 -6.529 -5.922 -10.841 1.00 31.20 C ATOM 391 O THR A 26 -6.736 -6.189 -12.028 1.00 15.21 O ATOM 392 CB THR A 26 -4.783 -4.083 -10.567 1.00 10.14 C ATOM 393 OG1 THR A 26 -4.437 -4.090 -11.958 1.00 12.43 O ATOM 394 CG2 THR A 26 -3.818 -5.013 -9.812 1.00 65.22 C ATOM 0 H THR A 26 -6.021 -3.993 -8.330 1.00 51.25 H new ATOM 0 HA THR A 26 -6.905 -3.816 -11.010 1.00 61.31 H new ATOM 0 HB THR A 26 -4.673 -3.084 -10.145 1.00 10.14 H new ATOM 0 HG1 THR A 26 -3.493 -3.848 -12.061 1.00 12.43 H new ATOM 0 HG21 THR A 26 -2.791 -4.690 -9.985 1.00 65.22 H new ATOM 0 HG22 THR A 26 -4.035 -4.974 -8.745 1.00 65.22 H new ATOM 0 HG23 THR A 26 -3.942 -6.035 -10.170 1.00 65.22 H new ATOM 402 N ASP A 27 -6.509 -6.848 -9.876 1.00 4.23 N ATOM 403 CA ASP A 27 -6.718 -8.290 -10.107 1.00 13.42 C ATOM 404 C ASP A 27 -8.098 -8.739 -9.544 1.00 14.45 C ATOM 405 O ASP A 27 -8.509 -9.884 -9.739 1.00 13.52 O ATOM 406 CB ASP A 27 -5.541 -9.037 -9.414 1.00 62.23 C ATOM 407 CG ASP A 27 -5.527 -10.557 -9.640 1.00 2.24 C ATOM 408 OD1 ASP A 27 -5.064 -11.001 -10.709 1.00 62.32 O ATOM 409 OD2 ASP A 27 -5.987 -11.311 -8.757 1.00 15.24 O ATOM 0 H ASP A 27 -6.345 -6.618 -8.896 1.00 4.23 H new ATOM 0 HA ASP A 27 -6.730 -8.521 -11.172 1.00 13.42 H new ATOM 0 HB2 ASP A 27 -4.601 -8.620 -9.775 1.00 62.23 H new ATOM 0 HB3 ASP A 27 -5.585 -8.843 -8.342 1.00 62.23 H new ATOM 414 N HIS A 28 -8.828 -7.789 -8.891 1.00 34.30 N ATOM 415 CA HIS A 28 -9.986 -8.076 -7.993 1.00 73.21 C ATOM 416 C HIS A 28 -9.525 -8.922 -6.772 1.00 25.12 C ATOM 417 O HIS A 28 -10.316 -9.614 -6.127 1.00 62.05 O ATOM 418 CB HIS A 28 -11.166 -8.746 -8.754 1.00 22.40 C ATOM 419 CG HIS A 28 -11.751 -7.901 -9.851 1.00 1.24 C ATOM 420 ND1 HIS A 28 -11.549 -8.142 -11.191 1.00 70.14 N ATOM 421 CD2 HIS A 28 -12.554 -6.822 -9.790 1.00 3.25 C ATOM 422 CE1 HIS A 28 -12.199 -7.249 -11.899 1.00 53.54 C ATOM 423 NE2 HIS A 28 -12.822 -6.436 -11.077 1.00 2.12 N ATOM 0 H HIS A 28 -8.627 -6.793 -8.974 1.00 34.30 H new ATOM 0 HA HIS A 28 -10.367 -7.125 -7.622 1.00 73.21 H new ATOM 0 HB2 HIS A 28 -10.820 -9.687 -9.181 1.00 22.40 H new ATOM 0 HB3 HIS A 28 -11.953 -8.990 -8.040 1.00 22.40 H new ATOM 0 HD2 HIS A 28 -12.920 -6.348 -8.891 1.00 3.25 H new ATOM 0 HE1 HIS A 28 -12.218 -7.192 -12.977 1.00 53.54 H new ATOM 0 HE2 HIS A 28 -13.408 -5.648 -11.351 1.00 2.12 H new ATOM 432 N ASP A 29 -8.228 -8.775 -6.456 1.00 53.44 N ATOM 433 CA ASP A 29 -7.509 -9.505 -5.398 1.00 43.01 C ATOM 434 C ASP A 29 -8.115 -9.276 -3.990 1.00 20.31 C ATOM 435 O ASP A 29 -8.215 -10.218 -3.194 1.00 41.42 O ATOM 436 CB ASP A 29 -5.988 -9.136 -5.459 1.00 50.22 C ATOM 437 CG ASP A 29 -5.704 -7.615 -5.576 1.00 11.32 C ATOM 438 OD1 ASP A 29 -5.997 -7.016 -6.651 1.00 64.34 O ATOM 439 OD2 ASP A 29 -5.178 -7.016 -4.621 1.00 12.54 O ATOM 0 H ASP A 29 -7.626 -8.117 -6.951 1.00 53.44 H new ATOM 0 HA ASP A 29 -7.621 -10.574 -5.582 1.00 43.01 H new ATOM 0 HB2 ASP A 29 -5.497 -9.517 -4.563 1.00 50.22 H new ATOM 0 HB3 ASP A 29 -5.537 -9.645 -6.311 1.00 50.22 H new ATOM 444 N HIS A 30 -8.547 -8.029 -3.699 1.00 53.42 N ATOM 445 CA HIS A 30 -9.221 -7.707 -2.413 1.00 51.20 C ATOM 446 C HIS A 30 -10.617 -8.386 -2.300 1.00 4.31 C ATOM 447 O HIS A 30 -11.046 -8.721 -1.206 1.00 33.13 O ATOM 448 CB HIS A 30 -9.367 -6.177 -2.208 1.00 20.01 C ATOM 449 CG HIS A 30 -10.496 -5.530 -2.978 1.00 1.45 C ATOM 450 ND1 HIS A 30 -11.683 -5.151 -2.388 1.00 25.14 N ATOM 451 CD2 HIS A 30 -10.602 -5.164 -4.274 1.00 32.10 C ATOM 452 CE1 HIS A 30 -12.456 -4.584 -3.280 1.00 72.00 C ATOM 453 NE2 HIS A 30 -11.827 -4.577 -4.428 1.00 61.34 N ATOM 0 H HIS A 30 -8.444 -7.233 -4.328 1.00 53.42 H new ATOM 0 HA HIS A 30 -8.580 -8.105 -1.626 1.00 51.20 H new ATOM 0 HB2 HIS A 30 -9.514 -5.981 -1.146 1.00 20.01 H new ATOM 0 HB3 HIS A 30 -8.431 -5.697 -2.494 1.00 20.01 H new ATOM 0 HD1 HIS A 30 -11.923 -5.291 -1.406 1.00 25.14 H new ATOM 0 HD2 HIS A 30 -9.859 -5.308 -5.044 1.00 32.10 H new ATOM 0 HE1 HIS A 30 -13.445 -4.189 -3.099 1.00 72.00 H new ATOM 462 N VAL A 31 -11.312 -8.555 -3.448 1.00 23.01 N ATOM 463 CA VAL A 31 -12.678 -9.154 -3.499 1.00 41.24 C ATOM 464 C VAL A 31 -12.627 -10.663 -3.152 1.00 63.24 C ATOM 465 O VAL A 31 -13.460 -11.176 -2.399 1.00 5.44 O ATOM 466 CB VAL A 31 -13.339 -8.964 -4.924 1.00 21.54 C ATOM 467 CG1 VAL A 31 -14.781 -9.524 -4.971 1.00 34.04 C ATOM 468 CG2 VAL A 31 -13.309 -7.484 -5.369 1.00 51.24 C ATOM 0 H VAL A 31 -10.950 -8.284 -4.363 1.00 23.01 H new ATOM 0 HA VAL A 31 -13.288 -8.634 -2.760 1.00 41.24 H new ATOM 0 HB VAL A 31 -12.740 -9.540 -5.629 1.00 21.54 H new ATOM 0 HG11 VAL A 31 -15.198 -9.373 -5.967 1.00 34.04 H new ATOM 0 HG12 VAL A 31 -14.765 -10.590 -4.742 1.00 34.04 H new ATOM 0 HG13 VAL A 31 -15.397 -9.004 -4.237 1.00 34.04 H new ATOM 0 HG21 VAL A 31 -13.771 -7.390 -6.352 1.00 51.24 H new ATOM 0 HG22 VAL A 31 -13.859 -6.877 -4.650 1.00 51.24 H new ATOM 0 HG23 VAL A 31 -12.276 -7.140 -5.419 1.00 51.24 H new ATOM 478 N ALA A 32 -11.620 -11.349 -3.722 1.00 2.13 N ATOM 479 CA ALA A 32 -11.385 -12.791 -3.502 1.00 35.43 C ATOM 480 C ALA A 32 -10.917 -13.098 -2.053 1.00 34.43 C ATOM 481 O ALA A 32 -11.186 -14.178 -1.524 1.00 34.42 O ATOM 482 CB ALA A 32 -10.362 -13.307 -4.529 1.00 64.43 C ATOM 0 H ALA A 32 -10.942 -10.918 -4.351 1.00 2.13 H new ATOM 0 HA ALA A 32 -12.333 -13.311 -3.639 1.00 35.43 H new ATOM 0 HB1 ALA A 32 -10.189 -14.371 -4.367 1.00 64.43 H new ATOM 0 HB2 ALA A 32 -10.748 -13.152 -5.537 1.00 64.43 H new ATOM 0 HB3 ALA A 32 -9.424 -12.764 -4.412 1.00 64.43 H new ATOM 488 N ILE A 33 -10.191 -12.142 -1.434 1.00 32.40 N ATOM 489 CA ILE A 33 -9.732 -12.254 -0.021 1.00 73.32 C ATOM 490 C ILE A 33 -10.820 -11.759 0.983 1.00 52.41 C ATOM 491 O ILE A 33 -10.902 -12.258 2.113 1.00 13.24 O ATOM 492 CB ILE A 33 -8.366 -11.467 0.172 1.00 13.40 C ATOM 493 CG1 ILE A 33 -7.225 -12.175 -0.646 1.00 62.15 C ATOM 494 CG2 ILE A 33 -7.965 -11.308 1.668 1.00 22.43 C ATOM 495 CD1 ILE A 33 -5.842 -11.551 -0.530 1.00 41.12 C ATOM 0 H ILE A 33 -9.905 -11.275 -1.890 1.00 32.40 H new ATOM 0 HA ILE A 33 -9.560 -13.308 0.197 1.00 73.32 H new ATOM 0 HB ILE A 33 -8.513 -10.457 -0.210 1.00 13.40 H new ATOM 0 HG12 ILE A 33 -7.163 -13.214 -0.322 1.00 62.15 H new ATOM 0 HG13 ILE A 33 -7.511 -12.186 -1.698 1.00 62.15 H new ATOM 0 HG21 ILE A 33 -7.024 -10.763 1.736 1.00 22.43 H new ATOM 0 HG22 ILE A 33 -8.743 -10.757 2.197 1.00 22.43 H new ATOM 0 HG23 ILE A 33 -7.847 -12.293 2.120 1.00 22.43 H new ATOM 0 HD11 ILE A 33 -5.135 -12.119 -1.134 1.00 41.12 H new ATOM 0 HD12 ILE A 33 -5.877 -10.521 -0.885 1.00 41.12 H new ATOM 0 HD13 ILE A 33 -5.523 -11.565 0.512 1.00 41.12 H new ATOM 507 N GLY A 34 -11.676 -10.816 0.543 1.00 74.13 N ATOM 508 CA GLY A 34 -12.686 -10.193 1.418 1.00 31.31 C ATOM 509 C GLY A 34 -12.111 -9.062 2.288 1.00 1.30 C ATOM 510 O GLY A 34 -12.228 -9.085 3.519 1.00 14.23 O ATOM 0 H GLY A 34 -11.687 -10.469 -0.416 1.00 74.13 H new ATOM 0 HA2 GLY A 34 -13.495 -9.797 0.805 1.00 31.31 H new ATOM 0 HA3 GLY A 34 -13.120 -10.956 2.064 1.00 31.31 H new ATOM 514 N ALA A 35 -11.496 -8.060 1.630 1.00 22.22 N ATOM 515 CA ALA A 35 -10.819 -6.919 2.295 1.00 3.45 C ATOM 516 C ALA A 35 -11.308 -5.563 1.728 1.00 44.20 C ATOM 517 O ALA A 35 -11.436 -5.405 0.508 1.00 52.22 O ATOM 518 CB ALA A 35 -9.296 -7.061 2.124 1.00 23.23 C ATOM 0 H ALA A 35 -11.452 -8.015 0.612 1.00 22.22 H new ATOM 0 HA ALA A 35 -11.069 -6.935 3.356 1.00 3.45 H new ATOM 0 HB1 ALA A 35 -8.796 -6.224 2.611 1.00 23.23 H new ATOM 0 HB2 ALA A 35 -8.965 -7.996 2.577 1.00 23.23 H new ATOM 0 HB3 ALA A 35 -9.048 -7.064 1.063 1.00 23.23 H new ATOM 524 N ASP A 36 -11.568 -4.585 2.626 1.00 45.15 N ATOM 525 CA ASP A 36 -12.038 -3.229 2.244 1.00 41.33 C ATOM 526 C ASP A 36 -10.870 -2.404 1.643 1.00 51.33 C ATOM 527 O ASP A 36 -10.141 -1.740 2.373 1.00 2.24 O ATOM 528 CB ASP A 36 -12.637 -2.500 3.477 1.00 51.51 C ATOM 529 CG ASP A 36 -13.663 -3.351 4.231 1.00 22.21 C ATOM 530 OD1 ASP A 36 -14.852 -3.337 3.864 1.00 51.12 O ATOM 531 OD2 ASP A 36 -13.278 -4.058 5.184 1.00 33.31 O ATOM 0 H ASP A 36 -11.459 -4.711 3.632 1.00 45.15 H new ATOM 0 HA ASP A 36 -12.817 -3.330 1.488 1.00 41.33 H new ATOM 0 HB2 ASP A 36 -11.831 -2.224 4.157 1.00 51.51 H new ATOM 0 HB3 ASP A 36 -13.110 -1.574 3.151 1.00 51.51 H new ATOM 536 N CYS A 37 -10.717 -2.446 0.306 1.00 54.24 N ATOM 537 CA CYS A 37 -9.495 -1.959 -0.396 1.00 13.44 C ATOM 538 C CYS A 37 -9.231 -0.451 -0.226 1.00 15.54 C ATOM 539 O CYS A 37 -8.124 -0.070 0.146 1.00 22.01 O ATOM 540 CB CYS A 37 -9.584 -2.284 -1.897 1.00 21.25 C ATOM 541 SG CYS A 37 -11.082 -1.635 -2.683 1.00 53.43 S ATOM 0 H CYS A 37 -11.429 -2.815 -0.324 1.00 54.24 H new ATOM 0 HA CYS A 37 -8.660 -2.481 0.071 1.00 13.44 H new ATOM 0 HB2 CYS A 37 -8.710 -1.874 -2.403 1.00 21.25 H new ATOM 0 HB3 CYS A 37 -9.551 -3.365 -2.030 1.00 21.25 H new ATOM 0 HG CYS A 37 -12.130 -2.149 -2.110 1.00 53.43 H new ATOM 547 N GLU A 38 -10.237 0.400 -0.511 1.00 61.12 N ATOM 548 CA GLU A 38 -10.086 1.879 -0.397 1.00 53.12 C ATOM 549 C GLU A 38 -9.885 2.325 1.067 1.00 51.43 C ATOM 550 O GLU A 38 -9.324 3.384 1.321 1.00 23.11 O ATOM 551 CB GLU A 38 -11.263 2.631 -1.096 1.00 30.02 C ATOM 552 CG GLU A 38 -12.693 2.327 -0.589 1.00 24.20 C ATOM 553 CD GLU A 38 -13.057 3.011 0.743 1.00 2.23 C ATOM 554 OE1 GLU A 38 -12.956 4.253 0.828 1.00 30.42 O ATOM 555 OE2 GLU A 38 -13.428 2.313 1.711 1.00 21.13 O ATOM 0 H GLU A 38 -11.161 0.098 -0.821 1.00 61.12 H new ATOM 0 HA GLU A 38 -9.177 2.157 -0.930 1.00 53.12 H new ATOM 0 HB2 GLU A 38 -11.088 3.702 -0.994 1.00 30.02 H new ATOM 0 HB3 GLU A 38 -11.226 2.402 -2.161 1.00 30.02 H new ATOM 0 HG2 GLU A 38 -13.409 2.638 -1.350 1.00 24.20 H new ATOM 0 HG3 GLU A 38 -12.802 1.249 -0.471 1.00 24.20 H new ATOM 562 N ARG A 39 -10.387 1.499 2.003 1.00 23.42 N ATOM 563 CA ARG A 39 -10.210 1.680 3.459 1.00 63.14 C ATOM 564 C ARG A 39 -8.772 1.316 3.909 1.00 33.51 C ATOM 565 O ARG A 39 -8.179 2.040 4.702 1.00 22.43 O ATOM 566 CB ARG A 39 -11.260 0.820 4.207 1.00 14.33 C ATOM 567 CG ARG A 39 -11.177 0.839 5.750 1.00 55.33 C ATOM 568 CD ARG A 39 -12.319 0.032 6.397 1.00 51.11 C ATOM 569 NE ARG A 39 -12.212 -0.004 7.865 1.00 4.44 N ATOM 570 CZ ARG A 39 -13.213 0.085 8.710 1.00 14.44 C ATOM 571 NH1 ARG A 39 -14.429 0.268 8.308 1.00 54.31 N ATOM 572 NH2 ARG A 39 -12.984 -0.007 9.975 1.00 61.10 N ATOM 0 H ARG A 39 -10.936 0.673 1.767 1.00 23.42 H new ATOM 0 HA ARG A 39 -10.360 2.732 3.704 1.00 63.14 H new ATOM 0 HB2 ARG A 39 -12.254 1.158 3.912 1.00 14.33 H new ATOM 0 HB3 ARG A 39 -11.161 -0.212 3.870 1.00 14.33 H new ATOM 0 HG2 ARG A 39 -10.218 0.429 6.067 1.00 55.33 H new ATOM 0 HG3 ARG A 39 -11.216 1.870 6.103 1.00 55.33 H new ATOM 0 HD2 ARG A 39 -13.276 0.470 6.115 1.00 51.11 H new ATOM 0 HD3 ARG A 39 -12.308 -0.986 6.008 1.00 51.11 H new ATOM 0 HE ARG A 39 -11.278 -0.107 8.261 1.00 4.44 H new ATOM 0 HH11 ARG A 39 -14.630 0.347 7.311 1.00 54.31 H new ATOM 0 HH12 ARG A 39 -15.187 0.333 8.988 1.00 54.31 H new ATOM 0 HH21 ARG A 39 -12.032 -0.148 10.312 1.00 61.10 H new ATOM 0 HH22 ARG A 39 -13.755 0.061 10.639 1.00 61.10 H new ATOM 586 N LEU A 40 -8.217 0.195 3.396 1.00 52.24 N ATOM 587 CA LEU A 40 -6.818 -0.224 3.699 1.00 55.21 C ATOM 588 C LEU A 40 -5.829 0.794 3.102 1.00 33.54 C ATOM 589 O LEU A 40 -4.952 1.303 3.793 1.00 12.41 O ATOM 590 CB LEU A 40 -6.495 -1.644 3.147 1.00 13.11 C ATOM 591 CG LEU A 40 -7.431 -2.806 3.607 1.00 32.12 C ATOM 592 CD1 LEU A 40 -6.902 -4.177 3.133 1.00 4.53 C ATOM 593 CD2 LEU A 40 -7.674 -2.786 5.132 1.00 34.40 C ATOM 0 H LEU A 40 -8.712 -0.440 2.769 1.00 52.24 H new ATOM 0 HA LEU A 40 -6.717 -0.259 4.784 1.00 55.21 H new ATOM 0 HB2 LEU A 40 -6.519 -1.599 2.058 1.00 13.11 H new ATOM 0 HB3 LEU A 40 -5.474 -1.896 3.434 1.00 13.11 H new ATOM 0 HG LEU A 40 -8.398 -2.645 3.131 1.00 32.12 H new ATOM 0 HD11 LEU A 40 -7.577 -4.964 3.470 1.00 4.53 H new ATOM 0 HD12 LEU A 40 -6.846 -4.189 2.045 1.00 4.53 H new ATOM 0 HD13 LEU A 40 -5.909 -4.348 3.549 1.00 4.53 H new ATOM 0 HD21 LEU A 40 -8.330 -3.612 5.407 1.00 34.40 H new ATOM 0 HD22 LEU A 40 -6.722 -2.890 5.653 1.00 34.40 H new ATOM 0 HD23 LEU A 40 -8.141 -1.842 5.414 1.00 34.40 H new ATOM 605 N SER A 41 -6.032 1.074 1.803 1.00 74.15 N ATOM 606 CA SER A 41 -5.297 2.101 1.035 1.00 63.02 C ATOM 607 C SER A 41 -5.433 3.506 1.647 1.00 32.34 C ATOM 608 O SER A 41 -4.527 4.319 1.495 1.00 34.44 O ATOM 609 CB SER A 41 -5.796 2.121 -0.421 1.00 12.11 C ATOM 610 OG SER A 41 -5.247 3.195 -1.182 1.00 21.21 O ATOM 0 H SER A 41 -6.728 0.582 1.242 1.00 74.15 H new ATOM 0 HA SER A 41 -4.241 1.832 1.068 1.00 63.02 H new ATOM 0 HB2 SER A 41 -5.541 1.176 -0.900 1.00 12.11 H new ATOM 0 HB3 SER A 41 -6.883 2.198 -0.426 1.00 12.11 H new ATOM 0 HG SER A 41 -5.895 3.929 -1.227 1.00 21.21 H new ATOM 616 N ALA A 42 -6.585 3.790 2.304 1.00 10.21 N ATOM 617 CA ALA A 42 -6.762 5.033 3.085 1.00 40.52 C ATOM 618 C ALA A 42 -5.801 5.033 4.277 1.00 41.41 C ATOM 619 O ALA A 42 -4.930 5.867 4.359 1.00 44.34 O ATOM 620 CB ALA A 42 -8.209 5.187 3.582 1.00 24.34 C ATOM 0 H ALA A 42 -7.400 3.176 2.307 1.00 10.21 H new ATOM 0 HA ALA A 42 -6.541 5.877 2.431 1.00 40.52 H new ATOM 0 HB1 ALA A 42 -8.302 6.112 4.152 1.00 24.34 H new ATOM 0 HB2 ALA A 42 -8.886 5.218 2.728 1.00 24.34 H new ATOM 0 HB3 ALA A 42 -8.467 4.341 4.219 1.00 24.34 H new ATOM 626 N GLN A 43 -5.902 4.001 5.121 1.00 30.55 N ATOM 627 CA GLN A 43 -5.068 3.854 6.339 1.00 20.21 C ATOM 628 C GLN A 43 -3.536 3.854 6.025 1.00 73.32 C ATOM 629 O GLN A 43 -2.714 4.196 6.879 1.00 15.44 O ATOM 630 CB GLN A 43 -5.487 2.559 7.065 1.00 45.10 C ATOM 631 CG GLN A 43 -6.947 2.528 7.564 1.00 54.25 C ATOM 632 CD GLN A 43 -7.365 1.143 8.083 1.00 34.02 C ATOM 633 OE1 GLN A 43 -7.211 0.829 9.255 1.00 31.55 O ATOM 634 NE2 GLN A 43 -7.875 0.293 7.207 1.00 10.52 N ATOM 0 H GLN A 43 -6.564 3.237 4.986 1.00 30.55 H new ATOM 0 HA GLN A 43 -5.238 4.718 6.982 1.00 20.21 H new ATOM 0 HB2 GLN A 43 -5.333 1.717 6.390 1.00 45.10 H new ATOM 0 HB3 GLN A 43 -4.825 2.409 7.918 1.00 45.10 H new ATOM 0 HG2 GLN A 43 -7.071 3.263 8.360 1.00 54.25 H new ATOM 0 HG3 GLN A 43 -7.611 2.823 6.752 1.00 54.25 H new ATOM 0 HE21 GLN A 43 -7.995 0.574 6.234 1.00 10.52 H new ATOM 0 HE22 GLN A 43 -8.148 -0.644 7.505 1.00 10.52 H new ATOM 643 N ILE A 44 -3.183 3.451 4.787 1.00 75.23 N ATOM 644 CA ILE A 44 -1.822 3.607 4.222 1.00 12.40 C ATOM 645 C ILE A 44 -1.547 5.091 3.824 1.00 33.24 C ATOM 646 O ILE A 44 -0.514 5.667 4.200 1.00 30.52 O ATOM 647 CB ILE A 44 -1.639 2.666 2.960 1.00 73.34 C ATOM 648 CG1 ILE A 44 -1.775 1.161 3.371 1.00 12.31 C ATOM 649 CG2 ILE A 44 -0.293 2.925 2.219 1.00 14.35 C ATOM 650 CD1 ILE A 44 -1.746 0.166 2.213 1.00 52.21 C ATOM 0 H ILE A 44 -3.838 3.005 4.145 1.00 75.23 H new ATOM 0 HA ILE A 44 -1.104 3.319 4.990 1.00 12.40 H new ATOM 0 HB ILE A 44 -2.436 2.908 2.257 1.00 73.34 H new ATOM 0 HG12 ILE A 44 -0.968 0.915 4.061 1.00 12.31 H new ATOM 0 HG13 ILE A 44 -2.710 1.033 3.916 1.00 12.31 H new ATOM 0 HG21 ILE A 44 -0.215 2.256 1.362 1.00 14.35 H new ATOM 0 HG22 ILE A 44 -0.260 3.959 1.876 1.00 14.35 H new ATOM 0 HG23 ILE A 44 0.538 2.741 2.900 1.00 14.35 H new ATOM 0 HD11 ILE A 44 -1.847 -0.847 2.601 1.00 52.21 H new ATOM 0 HD12 ILE A 44 -2.570 0.377 1.531 1.00 52.21 H new ATOM 0 HD13 ILE A 44 -0.800 0.257 1.678 1.00 52.21 H new ATOM 662 N GLU A 45 -2.505 5.696 3.077 1.00 3.31 N ATOM 663 CA GLU A 45 -2.338 7.034 2.460 1.00 63.32 C ATOM 664 C GLU A 45 -2.254 8.153 3.525 1.00 74.42 C ATOM 665 O GLU A 45 -1.363 8.989 3.451 1.00 61.40 O ATOM 666 CB GLU A 45 -3.473 7.341 1.429 1.00 41.43 C ATOM 667 CG GLU A 45 -3.056 8.225 0.217 1.00 44.24 C ATOM 668 CD GLU A 45 -2.529 9.635 0.566 1.00 51.20 C ATOM 669 OE1 GLU A 45 -3.348 10.528 0.862 1.00 10.22 O ATOM 670 OE2 GLU A 45 -1.295 9.857 0.537 1.00 31.33 O ATOM 0 H GLU A 45 -3.412 5.270 2.887 1.00 3.31 H new ATOM 0 HA GLU A 45 -1.390 7.013 1.922 1.00 63.32 H new ATOM 0 HB2 GLU A 45 -3.861 6.396 1.050 1.00 41.43 H new ATOM 0 HB3 GLU A 45 -4.292 7.835 1.952 1.00 41.43 H new ATOM 0 HG2 GLU A 45 -2.285 7.698 -0.345 1.00 44.24 H new ATOM 0 HG3 GLU A 45 -3.916 8.332 -0.444 1.00 44.24 H new ATOM 677 N GLU A 46 -3.174 8.149 4.517 1.00 42.42 N ATOM 678 CA GLU A 46 -3.215 9.181 5.596 1.00 53.43 C ATOM 679 C GLU A 46 -1.821 9.319 6.296 1.00 44.23 C ATOM 680 O GLU A 46 -1.415 10.418 6.685 1.00 14.51 O ATOM 681 CB GLU A 46 -4.319 8.868 6.677 1.00 54.54 C ATOM 682 CG GLU A 46 -5.654 8.217 6.199 1.00 53.30 C ATOM 683 CD GLU A 46 -6.330 8.880 4.976 1.00 21.05 C ATOM 684 OE1 GLU A 46 -6.959 9.947 5.124 1.00 22.42 O ATOM 685 OE2 GLU A 46 -6.257 8.328 3.851 1.00 33.43 O ATOM 0 H GLU A 46 -3.904 7.442 4.598 1.00 42.42 H new ATOM 0 HA GLU A 46 -3.471 10.124 5.113 1.00 53.43 H new ATOM 0 HB2 GLU A 46 -3.876 8.210 7.424 1.00 54.54 H new ATOM 0 HB3 GLU A 46 -4.566 9.802 7.181 1.00 54.54 H new ATOM 0 HG2 GLU A 46 -5.460 7.171 5.960 1.00 53.30 H new ATOM 0 HG3 GLU A 46 -6.359 8.229 7.030 1.00 53.30 H new ATOM 692 N CYS A 47 -1.101 8.176 6.419 1.00 31.00 N ATOM 693 CA CYS A 47 0.249 8.121 7.037 1.00 14.45 C ATOM 694 C CYS A 47 1.367 8.645 6.089 1.00 1.13 C ATOM 695 O CYS A 47 2.159 9.504 6.485 1.00 52.32 O ATOM 696 CB CYS A 47 0.574 6.682 7.496 1.00 53.40 C ATOM 697 SG CYS A 47 -0.569 6.031 8.744 1.00 21.05 S ATOM 0 H CYS A 47 -1.438 7.270 6.094 1.00 31.00 H new ATOM 0 HA CYS A 47 0.225 8.784 7.902 1.00 14.45 H new ATOM 0 HB2 CYS A 47 0.562 6.023 6.628 1.00 53.40 H new ATOM 0 HB3 CYS A 47 1.587 6.660 7.899 1.00 53.40 H new ATOM 0 HG CYS A 47 -1.469 5.293 8.165 1.00 21.05 H new ATOM 703 N ILE A 48 1.417 8.144 4.824 1.00 31.43 N ATOM 704 CA ILE A 48 2.454 8.572 3.832 1.00 0.24 C ATOM 705 C ILE A 48 2.262 10.066 3.431 1.00 72.51 C ATOM 706 O ILE A 48 3.222 10.753 3.067 1.00 53.23 O ATOM 707 CB ILE A 48 2.481 7.636 2.548 1.00 51.34 C ATOM 708 CG1 ILE A 48 3.701 7.972 1.612 1.00 42.34 C ATOM 709 CG2 ILE A 48 1.152 7.711 1.762 1.00 11.41 C ATOM 710 CD1 ILE A 48 3.809 7.105 0.363 1.00 34.43 C ATOM 0 H ILE A 48 0.760 7.450 4.466 1.00 31.43 H new ATOM 0 HA ILE A 48 3.423 8.470 4.321 1.00 0.24 H new ATOM 0 HB ILE A 48 2.603 6.613 2.903 1.00 51.34 H new ATOM 0 HG12 ILE A 48 3.630 9.016 1.307 1.00 42.34 H new ATOM 0 HG13 ILE A 48 4.621 7.870 2.188 1.00 42.34 H new ATOM 0 HG21 ILE A 48 1.207 7.058 0.891 1.00 11.41 H new ATOM 0 HG22 ILE A 48 0.331 7.391 2.404 1.00 11.41 H new ATOM 0 HG23 ILE A 48 0.979 8.737 1.436 1.00 11.41 H new ATOM 0 HD11 ILE A 48 4.679 7.411 -0.218 1.00 34.43 H new ATOM 0 HD12 ILE A 48 3.916 6.060 0.654 1.00 34.43 H new ATOM 0 HD13 ILE A 48 2.909 7.223 -0.241 1.00 34.43 H new ATOM 722 N PHE A 49 1.012 10.556 3.550 1.00 31.53 N ATOM 723 CA PHE A 49 0.659 11.969 3.305 1.00 64.55 C ATOM 724 C PHE A 49 1.228 12.899 4.415 1.00 30.44 C ATOM 725 O PHE A 49 1.508 14.075 4.161 1.00 21.21 O ATOM 726 CB PHE A 49 -0.884 12.133 3.169 1.00 41.51 C ATOM 727 CG PHE A 49 -1.341 13.558 2.817 1.00 51.55 C ATOM 728 CD1 PHE A 49 -1.013 14.128 1.583 1.00 32.13 C ATOM 729 CD2 PHE A 49 -2.076 14.330 3.721 1.00 71.43 C ATOM 730 CE1 PHE A 49 -1.405 15.421 1.267 1.00 55.42 C ATOM 731 CE2 PHE A 49 -2.469 15.621 3.400 1.00 55.44 C ATOM 732 CZ PHE A 49 -2.132 16.167 2.173 1.00 65.34 C ATOM 0 H PHE A 49 0.215 9.980 3.820 1.00 31.53 H new ATOM 0 HA PHE A 49 1.118 12.271 2.363 1.00 64.55 H new ATOM 0 HB2 PHE A 49 -1.244 11.449 2.401 1.00 41.51 H new ATOM 0 HB3 PHE A 49 -1.353 11.835 4.107 1.00 41.51 H new ATOM 0 HD1 PHE A 49 -0.446 13.553 0.865 1.00 32.13 H new ATOM 0 HD2 PHE A 49 -2.342 13.916 4.682 1.00 71.43 H new ATOM 0 HE1 PHE A 49 -1.141 15.845 0.310 1.00 55.42 H new ATOM 0 HE2 PHE A 49 -3.040 16.202 4.109 1.00 55.44 H new ATOM 0 HZ PHE A 49 -2.437 17.173 1.926 1.00 65.34 H new ATOM 742 N ARG A 50 1.408 12.361 5.635 1.00 14.45 N ATOM 743 CA ARG A 50 2.076 13.092 6.735 1.00 73.11 C ATOM 744 C ARG A 50 3.600 13.226 6.469 1.00 11.21 C ATOM 745 O ARG A 50 4.138 14.335 6.455 1.00 72.12 O ATOM 746 CB ARG A 50 1.829 12.388 8.103 1.00 42.44 C ATOM 747 CG ARG A 50 0.367 12.418 8.605 1.00 5.24 C ATOM 748 CD ARG A 50 -0.153 13.852 8.836 1.00 43.54 C ATOM 749 NE ARG A 50 0.703 14.615 9.773 1.00 73.43 N ATOM 750 CZ ARG A 50 0.527 15.876 10.121 1.00 54.05 C ATOM 751 NH1 ARG A 50 -0.492 16.560 9.711 1.00 34.40 N ATOM 752 NH2 ARG A 50 1.379 16.443 10.901 1.00 55.32 N ATOM 0 H ARG A 50 1.101 11.422 5.887 1.00 14.45 H new ATOM 0 HA ARG A 50 1.644 14.092 6.778 1.00 73.11 H new ATOM 0 HB2 ARG A 50 2.147 11.349 8.021 1.00 42.44 H new ATOM 0 HB3 ARG A 50 2.464 12.857 8.855 1.00 42.44 H new ATOM 0 HG2 ARG A 50 -0.273 11.916 7.879 1.00 5.24 H new ATOM 0 HG3 ARG A 50 0.295 11.855 9.536 1.00 5.24 H new ATOM 0 HD2 ARG A 50 -0.201 14.377 7.882 1.00 43.54 H new ATOM 0 HD3 ARG A 50 -1.169 13.809 9.228 1.00 43.54 H new ATOM 0 HE ARG A 50 1.497 14.124 10.185 1.00 73.43 H new ATOM 0 HH11 ARG A 50 -1.186 16.126 9.102 1.00 34.40 H new ATOM 0 HH12 ARG A 50 -0.601 17.533 9.997 1.00 34.40 H new ATOM 0 HH21 ARG A 50 2.183 15.918 11.246 1.00 55.32 H new ATOM 0 HH22 ARG A 50 1.250 17.417 11.175 1.00 55.32 H new ATOM 766 N ASP A 51 4.269 12.081 6.238 1.00 3.10 N ATOM 767 CA ASP A 51 5.748 12.018 6.100 1.00 13.14 C ATOM 768 C ASP A 51 6.256 12.600 4.754 1.00 3.33 C ATOM 769 O ASP A 51 7.077 13.527 4.729 1.00 45.42 O ATOM 770 CB ASP A 51 6.211 10.542 6.245 1.00 30.31 C ATOM 771 CG ASP A 51 5.898 9.967 7.632 1.00 44.11 C ATOM 772 OD1 ASP A 51 4.773 9.478 7.848 1.00 40.40 O ATOM 773 OD2 ASP A 51 6.768 10.042 8.527 1.00 21.34 O ATOM 0 H ASP A 51 3.809 11.176 6.141 1.00 3.10 H new ATOM 0 HA ASP A 51 6.176 12.635 6.890 1.00 13.14 H new ATOM 0 HB2 ASP A 51 5.723 9.934 5.483 1.00 30.31 H new ATOM 0 HB3 ASP A 51 7.284 10.481 6.062 1.00 30.31 H new ATOM 778 N VAL A 52 5.751 12.053 3.640 1.00 74.45 N ATOM 779 CA VAL A 52 6.229 12.403 2.271 1.00 75.23 C ATOM 780 C VAL A 52 5.235 13.341 1.539 1.00 31.11 C ATOM 781 O VAL A 52 5.626 14.079 0.627 1.00 32.55 O ATOM 782 CB VAL A 52 6.455 11.105 1.393 1.00 54.42 C ATOM 783 CG1 VAL A 52 7.315 11.406 0.145 1.00 62.14 C ATOM 784 CG2 VAL A 52 7.081 9.967 2.225 1.00 51.00 C ATOM 0 H VAL A 52 5.004 11.359 3.648 1.00 74.45 H new ATOM 0 HA VAL A 52 7.178 12.924 2.397 1.00 75.23 H new ATOM 0 HB VAL A 52 5.475 10.774 1.051 1.00 54.42 H new ATOM 0 HG11 VAL A 52 7.449 10.492 -0.433 1.00 62.14 H new ATOM 0 HG12 VAL A 52 6.815 12.154 -0.470 1.00 62.14 H new ATOM 0 HG13 VAL A 52 8.289 11.784 0.457 1.00 62.14 H new ATOM 0 HG21 VAL A 52 7.223 9.090 1.593 1.00 51.00 H new ATOM 0 HG22 VAL A 52 8.045 10.291 2.618 1.00 51.00 H new ATOM 0 HG23 VAL A 52 6.418 9.714 3.052 1.00 51.00 H new ATOM 794 N GLY A 53 3.966 13.336 1.996 1.00 25.20 N ATOM 795 CA GLY A 53 2.840 13.983 1.295 1.00 41.52 C ATOM 796 C GLY A 53 2.753 15.503 1.401 1.00 1.11 C ATOM 797 O GLY A 53 1.659 16.066 1.410 1.00 4.34 O ATOM 0 H GLY A 53 3.693 12.880 2.867 1.00 25.20 H new ATOM 0 HA2 GLY A 53 2.898 13.718 0.239 1.00 41.52 H new ATOM 0 HA3 GLY A 53 1.911 13.561 1.679 1.00 41.52 H new ATOM 801 N ASN A 54 3.902 16.172 1.475 1.00 2.12 N ATOM 802 CA ASN A 54 3.993 17.642 1.367 1.00 10.14 C ATOM 803 C ASN A 54 3.783 18.129 -0.106 1.00 4.41 C ATOM 804 O ASN A 54 3.902 19.321 -0.385 1.00 62.24 O ATOM 805 CB ASN A 54 5.354 18.100 1.921 1.00 31.14 C ATOM 806 CG ASN A 54 5.606 17.602 3.349 1.00 2.04 C ATOM 807 OD1 ASN A 54 5.253 18.257 4.321 1.00 44.32 O ATOM 808 ND2 ASN A 54 6.204 16.427 3.483 1.00 23.42 N ATOM 0 H ASN A 54 4.804 15.716 1.612 1.00 2.12 H new ATOM 0 HA ASN A 54 3.194 18.091 1.957 1.00 10.14 H new ATOM 0 HB2 ASN A 54 6.148 17.738 1.268 1.00 31.14 H new ATOM 0 HB3 ASN A 54 5.401 19.189 1.906 1.00 31.14 H new ATOM 0 HD21 ASN A 54 6.380 16.048 4.413 1.00 23.42 H new ATOM 0 HD22 ASN A 54 6.488 15.902 2.656 1.00 23.42 H new ATOM 815 N THR A 55 3.490 17.167 -1.034 1.00 31.13 N ATOM 816 CA THR A 55 3.091 17.405 -2.460 1.00 54.13 C ATOM 817 C THR A 55 4.145 18.201 -3.267 1.00 22.10 C ATOM 818 O THR A 55 3.832 18.807 -4.297 1.00 61.05 O ATOM 819 CB THR A 55 1.662 18.076 -2.594 1.00 14.31 C ATOM 820 OG1 THR A 55 1.684 19.438 -2.136 1.00 42.35 O ATOM 821 CG2 THR A 55 0.581 17.297 -1.811 1.00 52.11 C ATOM 0 H THR A 55 3.526 16.174 -0.804 1.00 31.13 H new ATOM 0 HA THR A 55 3.033 16.410 -2.901 1.00 54.13 H new ATOM 0 HB THR A 55 1.408 18.053 -3.654 1.00 14.31 H new ATOM 0 HG1 THR A 55 2.492 19.591 -1.603 1.00 42.35 H new ATOM 0 HG21 THR A 55 -0.383 17.792 -1.931 1.00 52.11 H new ATOM 0 HG22 THR A 55 0.516 16.279 -2.195 1.00 52.11 H new ATOM 0 HG23 THR A 55 0.846 17.270 -0.754 1.00 52.11 H new ATOM 829 N ASP A 56 5.404 18.129 -2.809 1.00 52.05 N ATOM 830 CA ASP A 56 6.545 18.851 -3.414 1.00 5.21 C ATOM 831 C ASP A 56 7.007 18.222 -4.766 1.00 30.23 C ATOM 832 O ASP A 56 6.998 18.901 -5.797 1.00 42.51 O ATOM 833 CB ASP A 56 7.712 18.945 -2.381 1.00 71.45 C ATOM 834 CG ASP A 56 8.028 17.611 -1.669 1.00 22.44 C ATOM 835 OD1 ASP A 56 8.722 16.760 -2.255 1.00 42.54 O ATOM 836 OD2 ASP A 56 7.568 17.399 -0.523 1.00 14.33 O ATOM 0 H ASP A 56 5.666 17.564 -2.001 1.00 52.05 H new ATOM 0 HA ASP A 56 6.214 19.860 -3.662 1.00 5.21 H new ATOM 0 HB2 ASP A 56 8.609 19.294 -2.892 1.00 71.45 H new ATOM 0 HB3 ASP A 56 7.461 19.695 -1.631 1.00 71.45 H new ATOM 841 N MET A 57 7.386 16.924 -4.747 1.00 3.30 N ATOM 842 CA MET A 57 7.944 16.203 -5.921 1.00 42.02 C ATOM 843 C MET A 57 8.096 14.691 -5.605 1.00 64.30 C ATOM 844 O MET A 57 7.447 13.844 -6.238 1.00 65.31 O ATOM 845 CB MET A 57 9.328 16.805 -6.331 1.00 54.25 C ATOM 846 CG MET A 57 9.956 16.191 -7.597 1.00 73.42 C ATOM 847 SD MET A 57 11.597 16.860 -7.960 1.00 62.32 S ATOM 848 CE MET A 57 11.260 18.618 -8.127 1.00 72.05 C ATOM 0 H MET A 57 7.314 16.341 -3.913 1.00 3.30 H new ATOM 0 HA MET A 57 7.252 16.322 -6.754 1.00 42.02 H new ATOM 0 HB2 MET A 57 9.209 17.877 -6.486 1.00 54.25 H new ATOM 0 HB3 MET A 57 10.023 16.678 -5.501 1.00 54.25 H new ATOM 0 HG2 MET A 57 10.028 15.110 -7.474 1.00 73.42 H new ATOM 0 HG3 MET A 57 9.299 16.372 -8.447 1.00 73.42 H new ATOM 0 HE1 MET A 57 12.101 19.104 -8.621 1.00 72.05 H new ATOM 0 HE2 MET A 57 10.358 18.761 -8.722 1.00 72.05 H new ATOM 0 HE3 MET A 57 11.116 19.056 -7.139 1.00 72.05 H new ATOM 858 N LYS A 58 8.945 14.377 -4.587 1.00 75.31 N ATOM 859 CA LYS A 58 9.299 12.977 -4.194 1.00 21.24 C ATOM 860 C LYS A 58 8.060 12.128 -3.837 1.00 75.00 C ATOM 861 O LYS A 58 8.055 10.927 -4.066 1.00 24.34 O ATOM 862 CB LYS A 58 10.305 12.981 -3.005 1.00 34.04 C ATOM 863 CG LYS A 58 9.782 13.685 -1.734 1.00 13.22 C ATOM 864 CD LYS A 58 10.819 13.737 -0.592 1.00 42.43 C ATOM 865 CE LYS A 58 10.283 14.441 0.662 1.00 61.24 C ATOM 866 NZ LYS A 58 9.921 15.858 0.398 1.00 63.05 N ATOM 0 H LYS A 58 9.405 15.085 -4.014 1.00 75.31 H new ATOM 0 HA LYS A 58 9.766 12.516 -5.064 1.00 21.24 H new ATOM 0 HB2 LYS A 58 10.561 11.951 -2.757 1.00 34.04 H new ATOM 0 HB3 LYS A 58 11.225 13.470 -3.324 1.00 34.04 H new ATOM 0 HG2 LYS A 58 9.481 14.701 -1.988 1.00 13.22 H new ATOM 0 HG3 LYS A 58 8.890 13.167 -1.382 1.00 13.22 H new ATOM 0 HD2 LYS A 58 11.120 12.722 -0.333 1.00 42.43 H new ATOM 0 HD3 LYS A 58 11.712 14.255 -0.941 1.00 42.43 H new ATOM 0 HE2 LYS A 58 9.407 13.907 1.031 1.00 61.24 H new ATOM 0 HE3 LYS A 58 11.036 14.401 1.449 1.00 61.24 H new ATOM 0 HZ1 LYS A 58 10.152 16.436 1.231 1.00 63.05 H new ATOM 0 HZ2 LYS A 58 10.456 16.206 -0.423 1.00 63.05 H new ATOM 0 HZ3 LYS A 58 8.902 15.925 0.201 1.00 63.05 H new ATOM 880 N TYR A 59 7.025 12.793 -3.284 1.00 62.44 N ATOM 881 CA TYR A 59 5.719 12.179 -2.945 1.00 43.20 C ATOM 882 C TYR A 59 5.093 11.449 -4.147 1.00 54.24 C ATOM 883 O TYR A 59 4.795 10.259 -4.069 1.00 73.23 O ATOM 884 CB TYR A 59 4.768 13.287 -2.409 1.00 43.04 C ATOM 885 CG TYR A 59 3.294 12.883 -2.179 1.00 1.30 C ATOM 886 CD1 TYR A 59 2.947 11.735 -1.448 1.00 33.41 C ATOM 887 CD2 TYR A 59 2.251 13.667 -2.682 1.00 41.30 C ATOM 888 CE1 TYR A 59 1.621 11.402 -1.229 1.00 5.35 C ATOM 889 CE2 TYR A 59 0.933 13.338 -2.456 1.00 74.01 C ATOM 890 CZ TYR A 59 0.622 12.207 -1.738 1.00 63.14 C ATOM 891 OH TYR A 59 -0.692 11.895 -1.519 1.00 23.04 O ATOM 0 H TYR A 59 7.071 13.786 -3.056 1.00 62.44 H new ATOM 0 HA TYR A 59 5.878 11.424 -2.175 1.00 43.20 H new ATOM 0 HB2 TYR A 59 5.171 13.655 -1.466 1.00 43.04 H new ATOM 0 HB3 TYR A 59 4.787 14.121 -3.111 1.00 43.04 H new ATOM 0 HD1 TYR A 59 3.727 11.102 -1.051 1.00 33.41 H new ATOM 0 HD2 TYR A 59 2.484 14.549 -3.260 1.00 41.30 H new ATOM 0 HE1 TYR A 59 1.370 10.517 -0.663 1.00 5.35 H new ATOM 0 HE2 TYR A 59 0.145 13.967 -2.842 1.00 74.01 H new ATOM 0 HH TYR A 59 -0.753 11.195 -0.836 1.00 23.04 H new ATOM 901 N LYS A 60 4.950 12.172 -5.259 1.00 42.11 N ATOM 902 CA LYS A 60 4.285 11.658 -6.472 1.00 14.30 C ATOM 903 C LYS A 60 5.059 10.470 -7.100 1.00 25.55 C ATOM 904 O LYS A 60 4.444 9.521 -7.584 1.00 53.40 O ATOM 905 CB LYS A 60 4.093 12.818 -7.479 1.00 4.04 C ATOM 906 CG LYS A 60 3.185 13.949 -6.934 1.00 13.52 C ATOM 907 CD LYS A 60 2.994 15.116 -7.928 1.00 32.14 C ATOM 908 CE LYS A 60 2.035 16.189 -7.382 1.00 74.22 C ATOM 909 NZ LYS A 60 1.888 17.339 -8.312 1.00 74.52 N ATOM 0 H LYS A 60 5.289 13.130 -5.351 1.00 42.11 H new ATOM 0 HA LYS A 60 3.307 11.265 -6.195 1.00 14.30 H new ATOM 0 HB2 LYS A 60 5.067 13.234 -7.736 1.00 4.04 H new ATOM 0 HB3 LYS A 60 3.661 12.425 -8.400 1.00 4.04 H new ATOM 0 HG2 LYS A 60 2.210 13.532 -6.683 1.00 13.52 H new ATOM 0 HG3 LYS A 60 3.614 14.336 -6.010 1.00 13.52 H new ATOM 0 HD2 LYS A 60 3.961 15.570 -8.144 1.00 32.14 H new ATOM 0 HD3 LYS A 60 2.606 14.729 -8.871 1.00 32.14 H new ATOM 0 HE2 LYS A 60 1.057 15.742 -7.203 1.00 74.22 H new ATOM 0 HE3 LYS A 60 2.403 16.547 -6.420 1.00 74.22 H new ATOM 0 HZ1 LYS A 60 1.233 18.035 -7.902 1.00 74.52 H new ATOM 0 HZ2 LYS A 60 2.816 17.784 -8.464 1.00 74.52 H new ATOM 0 HZ3 LYS A 60 1.512 17.004 -9.222 1.00 74.52 H new ATOM 923 N ASN A 61 6.409 10.518 -7.039 1.00 34.31 N ATOM 924 CA ASN A 61 7.285 9.429 -7.551 1.00 1.32 C ATOM 925 C ASN A 61 7.295 8.199 -6.602 1.00 0.22 C ATOM 926 O ASN A 61 7.421 7.056 -7.063 1.00 63.51 O ATOM 927 CB ASN A 61 8.722 9.952 -7.767 1.00 41.12 C ATOM 928 CG ASN A 61 8.782 11.097 -8.779 1.00 11.41 C ATOM 929 OD1 ASN A 61 8.875 10.881 -9.984 1.00 31.32 O ATOM 930 ND2 ASN A 61 8.747 12.325 -8.304 1.00 34.33 N ATOM 0 H ASN A 61 6.922 11.303 -6.638 1.00 34.31 H new ATOM 0 HA ASN A 61 6.876 9.102 -8.507 1.00 1.32 H new ATOM 0 HB2 ASN A 61 9.129 10.292 -6.814 1.00 41.12 H new ATOM 0 HB3 ASN A 61 9.355 9.134 -8.111 1.00 41.12 H new ATOM 0 HD21 ASN A 61 8.797 13.120 -8.941 1.00 34.33 H new ATOM 0 HD22 ASN A 61 8.669 12.481 -7.299 1.00 34.33 H new ATOM 937 N ARG A 62 7.174 8.448 -5.281 1.00 11.54 N ATOM 938 CA ARG A 62 7.043 7.378 -4.259 1.00 13.22 C ATOM 939 C ARG A 62 5.778 6.539 -4.504 1.00 45.34 C ATOM 940 O ARG A 62 5.832 5.313 -4.472 1.00 41.43 O ATOM 941 CB ARG A 62 7.016 7.966 -2.809 1.00 2.45 C ATOM 942 CG ARG A 62 8.399 8.327 -2.226 1.00 71.14 C ATOM 943 CD ARG A 62 9.306 7.093 -2.062 1.00 51.21 C ATOM 944 NE ARG A 62 10.594 7.427 -1.430 1.00 43.40 N ATOM 945 CZ ARG A 62 11.709 6.740 -1.531 1.00 62.23 C ATOM 946 NH1 ARG A 62 11.793 5.680 -2.272 1.00 75.44 N ATOM 947 NH2 ARG A 62 12.752 7.133 -0.884 1.00 44.33 N ATOM 0 H ARG A 62 7.164 9.390 -4.890 1.00 11.54 H new ATOM 0 HA ARG A 62 7.919 6.736 -4.351 1.00 13.22 H new ATOM 0 HB2 ARG A 62 6.393 8.860 -2.807 1.00 2.45 H new ATOM 0 HB3 ARG A 62 6.537 7.243 -2.149 1.00 2.45 H new ATOM 0 HG2 ARG A 62 8.888 9.050 -2.879 1.00 71.14 H new ATOM 0 HG3 ARG A 62 8.268 8.810 -1.257 1.00 71.14 H new ATOM 0 HD2 ARG A 62 8.792 6.344 -1.460 1.00 51.21 H new ATOM 0 HD3 ARG A 62 9.488 6.646 -3.039 1.00 51.21 H new ATOM 0 HE ARG A 62 10.623 8.272 -0.860 1.00 43.40 H new ATOM 0 HH11 ARG A 62 10.979 5.359 -2.797 1.00 75.44 H new ATOM 0 HH12 ARG A 62 12.673 5.167 -2.331 1.00 75.44 H new ATOM 0 HH21 ARG A 62 12.706 7.969 -0.302 1.00 44.33 H new ATOM 0 HH22 ARG A 62 13.624 6.608 -0.954 1.00 44.33 H new ATOM 961 N VAL A 63 4.656 7.235 -4.755 1.00 63.21 N ATOM 962 CA VAL A 63 3.356 6.601 -5.049 1.00 62.32 C ATOM 963 C VAL A 63 3.426 5.776 -6.362 1.00 30.33 C ATOM 964 O VAL A 63 3.053 4.608 -6.368 1.00 61.21 O ATOM 965 CB VAL A 63 2.202 7.669 -5.120 1.00 21.23 C ATOM 966 CG1 VAL A 63 0.826 7.011 -5.375 1.00 15.12 C ATOM 967 CG2 VAL A 63 2.165 8.525 -3.831 1.00 40.54 C ATOM 0 H VAL A 63 4.623 8.254 -4.760 1.00 63.21 H new ATOM 0 HA VAL A 63 3.128 5.919 -4.230 1.00 62.32 H new ATOM 0 HB VAL A 63 2.416 8.323 -5.966 1.00 21.23 H new ATOM 0 HG11 VAL A 63 0.056 7.782 -5.417 1.00 15.12 H new ATOM 0 HG12 VAL A 63 0.851 6.471 -6.321 1.00 15.12 H new ATOM 0 HG13 VAL A 63 0.600 6.316 -4.566 1.00 15.12 H new ATOM 0 HG21 VAL A 63 1.360 9.256 -3.903 1.00 40.54 H new ATOM 0 HG22 VAL A 63 1.993 7.879 -2.970 1.00 40.54 H new ATOM 0 HG23 VAL A 63 3.116 9.044 -3.711 1.00 40.54 H new ATOM 977 N ARG A 64 3.954 6.391 -7.446 1.00 61.33 N ATOM 978 CA ARG A 64 4.152 5.724 -8.771 1.00 1.24 C ATOM 979 C ARG A 64 4.913 4.370 -8.649 1.00 43.32 C ATOM 980 O ARG A 64 4.465 3.336 -9.170 1.00 41.03 O ATOM 981 CB ARG A 64 4.928 6.679 -9.728 1.00 33.42 C ATOM 982 CG ARG A 64 4.112 7.886 -10.248 1.00 54.14 C ATOM 983 CD ARG A 64 4.975 8.927 -10.995 1.00 12.41 C ATOM 984 NE ARG A 64 5.747 8.350 -12.115 1.00 53.21 N ATOM 985 CZ ARG A 64 6.440 9.044 -12.996 1.00 21.31 C ATOM 986 NH1 ARG A 64 6.479 10.341 -12.961 1.00 53.51 N ATOM 987 NH2 ARG A 64 7.109 8.431 -13.911 1.00 51.15 N ATOM 0 H ARG A 64 4.258 7.365 -7.435 1.00 61.33 H new ATOM 0 HA ARG A 64 3.164 5.505 -9.176 1.00 1.24 H new ATOM 0 HB2 ARG A 64 5.810 7.053 -9.208 1.00 33.42 H new ATOM 0 HB3 ARG A 64 5.282 6.103 -10.583 1.00 33.42 H new ATOM 0 HG2 ARG A 64 3.329 7.526 -10.916 1.00 54.14 H new ATOM 0 HG3 ARG A 64 3.616 8.371 -9.407 1.00 54.14 H new ATOM 0 HD2 ARG A 64 4.329 9.717 -11.377 1.00 12.41 H new ATOM 0 HD3 ARG A 64 5.664 9.392 -10.289 1.00 12.41 H new ATOM 0 HE ARG A 64 5.743 7.335 -12.214 1.00 53.21 H new ATOM 0 HH11 ARG A 64 5.966 10.847 -12.240 1.00 53.51 H new ATOM 0 HH12 ARG A 64 7.023 10.854 -13.655 1.00 53.51 H new ATOM 0 HH21 ARG A 64 7.101 7.412 -13.952 1.00 51.15 H new ATOM 0 HH22 ARG A 64 7.646 8.965 -14.594 1.00 51.15 H new ATOM 1001 N SER A 65 6.058 4.399 -7.941 1.00 30.32 N ATOM 1002 CA SER A 65 6.893 3.198 -7.707 1.00 3.25 C ATOM 1003 C SER A 65 6.211 2.197 -6.748 1.00 3.43 C ATOM 1004 O SER A 65 6.338 0.985 -6.929 1.00 13.21 O ATOM 1005 CB SER A 65 8.270 3.601 -7.138 1.00 24.33 C ATOM 1006 OG SER A 65 9.083 2.464 -6.855 1.00 13.43 O ATOM 0 H SER A 65 6.431 5.248 -7.516 1.00 30.32 H new ATOM 0 HA SER A 65 7.024 2.706 -8.671 1.00 3.25 H new ATOM 0 HB2 SER A 65 8.783 4.245 -7.852 1.00 24.33 H new ATOM 0 HB3 SER A 65 8.130 4.183 -6.227 1.00 24.33 H new ATOM 0 HG SER A 65 9.946 2.760 -6.498 1.00 13.43 H new ATOM 1012 N ARG A 66 5.471 2.723 -5.745 1.00 61.43 N ATOM 1013 CA ARG A 66 4.827 1.896 -4.694 1.00 53.21 C ATOM 1014 C ARG A 66 3.748 0.973 -5.298 1.00 13.50 C ATOM 1015 O ARG A 66 3.721 -0.227 -5.025 1.00 73.30 O ATOM 1016 CB ARG A 66 4.185 2.789 -3.588 1.00 3.25 C ATOM 1017 CG ARG A 66 3.928 2.049 -2.258 1.00 54.31 C ATOM 1018 CD ARG A 66 5.248 1.685 -1.546 1.00 4.11 C ATOM 1019 NE ARG A 66 5.062 0.690 -0.480 1.00 43.33 N ATOM 1020 CZ ARG A 66 5.275 0.886 0.799 1.00 43.24 C ATOM 1021 NH1 ARG A 66 5.458 2.076 1.293 1.00 54.12 N ATOM 1022 NH2 ARG A 66 5.287 -0.133 1.587 1.00 30.22 N ATOM 0 H ARG A 66 5.303 3.724 -5.640 1.00 61.43 H new ATOM 0 HA ARG A 66 5.608 1.283 -4.244 1.00 53.21 H new ATOM 0 HB2 ARG A 66 4.838 3.641 -3.398 1.00 3.25 H new ATOM 0 HB3 ARG A 66 3.241 3.187 -3.959 1.00 3.25 H new ATOM 0 HG2 ARG A 66 3.322 2.675 -1.604 1.00 54.31 H new ATOM 0 HG3 ARG A 66 3.356 1.142 -2.451 1.00 54.31 H new ATOM 0 HD2 ARG A 66 5.957 1.298 -2.279 1.00 4.11 H new ATOM 0 HD3 ARG A 66 5.688 2.588 -1.122 1.00 4.11 H new ATOM 0 HE ARG A 66 4.738 -0.236 -0.760 1.00 43.33 H new ATOM 0 HH11 ARG A 66 5.438 2.891 0.680 1.00 54.12 H new ATOM 0 HH12 ARG A 66 5.621 2.194 2.293 1.00 54.12 H new ATOM 0 HH21 ARG A 66 5.133 -1.069 1.213 1.00 30.22 H new ATOM 0 HH22 ARG A 66 5.451 -0.004 2.585 1.00 30.22 H new ATOM 1036 N ILE A 67 2.885 1.581 -6.129 1.00 33.25 N ATOM 1037 CA ILE A 67 1.812 0.890 -6.884 1.00 41.24 C ATOM 1038 C ILE A 67 2.396 -0.203 -7.809 1.00 40.54 C ATOM 1039 O ILE A 67 1.845 -1.297 -7.912 1.00 12.15 O ATOM 1040 CB ILE A 67 1.005 1.927 -7.751 1.00 53.32 C ATOM 1041 CG1 ILE A 67 0.415 3.060 -6.858 1.00 31.10 C ATOM 1042 CG2 ILE A 67 -0.121 1.251 -8.572 1.00 42.25 C ATOM 1043 CD1 ILE A 67 -0.050 4.276 -7.623 1.00 14.35 C ATOM 0 H ILE A 67 2.909 2.586 -6.302 1.00 33.25 H new ATOM 0 HA ILE A 67 1.147 0.418 -6.161 1.00 41.24 H new ATOM 0 HB ILE A 67 1.710 2.365 -8.457 1.00 53.32 H new ATOM 0 HG12 ILE A 67 -0.425 2.659 -6.291 1.00 31.10 H new ATOM 0 HG13 ILE A 67 1.171 3.367 -6.135 1.00 31.10 H new ATOM 0 HG21 ILE A 67 -0.650 2.006 -9.154 1.00 42.25 H new ATOM 0 HG22 ILE A 67 0.313 0.512 -9.245 1.00 42.25 H new ATOM 0 HG23 ILE A 67 -0.820 0.759 -7.895 1.00 42.25 H new ATOM 0 HD11 ILE A 67 -0.446 5.015 -6.926 1.00 14.35 H new ATOM 0 HD12 ILE A 67 0.790 4.706 -8.169 1.00 14.35 H new ATOM 0 HD13 ILE A 67 -0.830 3.987 -8.327 1.00 14.35 H new ATOM 1055 N SER A 68 3.524 0.131 -8.470 1.00 21.44 N ATOM 1056 CA SER A 68 4.250 -0.801 -9.371 1.00 42.34 C ATOM 1057 C SER A 68 4.803 -2.031 -8.601 1.00 72.20 C ATOM 1058 O SER A 68 4.836 -3.140 -9.136 1.00 54.32 O ATOM 1059 CB SER A 68 5.401 -0.059 -10.088 1.00 21.24 C ATOM 1060 OG SER A 68 6.021 -0.885 -11.065 1.00 34.33 O ATOM 0 H SER A 68 3.960 1.050 -8.397 1.00 21.44 H new ATOM 0 HA SER A 68 3.539 -1.167 -10.112 1.00 42.34 H new ATOM 0 HB2 SER A 68 5.014 0.842 -10.564 1.00 21.24 H new ATOM 0 HB3 SER A 68 6.142 0.260 -9.355 1.00 21.24 H new ATOM 0 HG SER A 68 6.744 -0.388 -11.502 1.00 34.33 H new ATOM 1066 N ASN A 69 5.241 -1.799 -7.345 1.00 31.05 N ATOM 1067 CA ASN A 69 5.722 -2.868 -6.424 1.00 55.04 C ATOM 1068 C ASN A 69 4.546 -3.697 -5.839 1.00 4.10 C ATOM 1069 O ASN A 69 4.710 -4.875 -5.511 1.00 32.22 O ATOM 1070 CB ASN A 69 6.565 -2.240 -5.279 1.00 22.00 C ATOM 1071 CG ASN A 69 7.843 -1.548 -5.775 1.00 0.10 C ATOM 1072 OD1 ASN A 69 8.454 -1.966 -6.749 1.00 13.12 O ATOM 1073 ND2 ASN A 69 8.246 -0.468 -5.120 1.00 62.40 N ATOM 0 H ASN A 69 5.274 -0.866 -6.934 1.00 31.05 H new ATOM 0 HA ASN A 69 6.347 -3.551 -7.000 1.00 55.04 H new ATOM 0 HB2 ASN A 69 5.953 -1.515 -4.742 1.00 22.00 H new ATOM 0 HB3 ASN A 69 6.835 -3.019 -4.567 1.00 22.00 H new ATOM 0 HD21 ASN A 69 9.081 0.032 -5.426 1.00 62.40 H new ATOM 0 HD22 ASN A 69 7.721 -0.137 -4.310 1.00 62.40 H new ATOM 1080 N LEU A 70 3.370 -3.052 -5.692 1.00 52.21 N ATOM 1081 CA LEU A 70 2.128 -3.720 -5.231 1.00 71.41 C ATOM 1082 C LEU A 70 1.622 -4.733 -6.291 1.00 22.42 C ATOM 1083 O LEU A 70 1.450 -5.923 -5.999 1.00 45.04 O ATOM 1084 CB LEU A 70 1.030 -2.656 -4.918 1.00 64.45 C ATOM 1085 CG LEU A 70 1.259 -1.775 -3.640 1.00 72.24 C ATOM 1086 CD1 LEU A 70 0.245 -0.605 -3.562 1.00 21.33 C ATOM 1087 CD2 LEU A 70 1.210 -2.636 -2.353 1.00 32.10 C ATOM 0 H LEU A 70 3.251 -2.058 -5.888 1.00 52.21 H new ATOM 0 HA LEU A 70 2.350 -4.271 -4.317 1.00 71.41 H new ATOM 0 HB2 LEU A 70 0.941 -1.993 -5.779 1.00 64.45 H new ATOM 0 HB3 LEU A 70 0.075 -3.171 -4.812 1.00 64.45 H new ATOM 0 HG LEU A 70 2.256 -1.341 -3.720 1.00 72.24 H new ATOM 0 HD11 LEU A 70 0.435 -0.018 -2.664 1.00 21.33 H new ATOM 0 HD12 LEU A 70 0.354 0.030 -4.441 1.00 21.33 H new ATOM 0 HD13 LEU A 70 -0.769 -1.004 -3.527 1.00 21.33 H new ATOM 0 HD21 LEU A 70 1.372 -2.000 -1.483 1.00 32.10 H new ATOM 0 HD22 LEU A 70 0.235 -3.117 -2.274 1.00 32.10 H new ATOM 0 HD23 LEU A 70 1.988 -3.398 -2.395 1.00 32.10 H new ATOM 1099 N LYS A 71 1.433 -4.248 -7.533 1.00 13.24 N ATOM 1100 CA LYS A 71 0.909 -5.059 -8.666 1.00 13.33 C ATOM 1101 C LYS A 71 2.011 -5.947 -9.320 1.00 30.33 C ATOM 1102 O LYS A 71 1.749 -6.615 -10.327 1.00 54.42 O ATOM 1103 CB LYS A 71 0.279 -4.126 -9.743 1.00 33.11 C ATOM 1104 CG LYS A 71 1.304 -3.222 -10.476 1.00 44.53 C ATOM 1105 CD LYS A 71 0.671 -2.338 -11.574 1.00 20.25 C ATOM 1106 CE LYS A 71 -0.388 -1.371 -11.033 1.00 4.43 C ATOM 1107 NZ LYS A 71 -0.908 -0.468 -12.092 1.00 72.43 N ATOM 0 H LYS A 71 1.638 -3.282 -7.787 1.00 13.24 H new ATOM 0 HA LYS A 71 0.149 -5.726 -8.260 1.00 13.33 H new ATOM 0 HB2 LYS A 71 -0.241 -4.739 -10.480 1.00 33.11 H new ATOM 0 HB3 LYS A 71 -0.471 -3.494 -9.267 1.00 33.11 H new ATOM 0 HG2 LYS A 71 1.799 -2.582 -9.746 1.00 44.53 H new ATOM 0 HG3 LYS A 71 2.074 -3.849 -10.925 1.00 44.53 H new ATOM 0 HD2 LYS A 71 1.456 -1.767 -12.069 1.00 20.25 H new ATOM 0 HD3 LYS A 71 0.217 -2.978 -12.330 1.00 20.25 H new ATOM 0 HE2 LYS A 71 -1.213 -1.940 -10.604 1.00 4.43 H new ATOM 0 HE3 LYS A 71 0.042 -0.776 -10.228 1.00 4.43 H new ATOM 0 HZ1 LYS A 71 -1.622 0.170 -11.685 1.00 72.43 H new ATOM 0 HZ2 LYS A 71 -0.125 0.093 -12.485 1.00 72.43 H new ATOM 0 HZ3 LYS A 71 -1.342 -1.034 -12.849 1.00 72.43 H new ATOM 1121 N ASP A 72 3.224 -5.947 -8.738 1.00 73.05 N ATOM 1122 CA ASP A 72 4.383 -6.699 -9.253 1.00 11.52 C ATOM 1123 C ASP A 72 4.144 -8.230 -9.199 1.00 14.22 C ATOM 1124 O ASP A 72 3.746 -8.774 -8.168 1.00 21.24 O ATOM 1125 CB ASP A 72 5.644 -6.304 -8.438 1.00 24.22 C ATOM 1126 CG ASP A 72 6.928 -7.032 -8.858 1.00 51.02 C ATOM 1127 OD1 ASP A 72 7.211 -7.116 -10.076 1.00 63.12 O ATOM 1128 OD2 ASP A 72 7.662 -7.522 -7.980 1.00 54.11 O ATOM 0 H ASP A 72 3.429 -5.420 -7.889 1.00 73.05 H new ATOM 0 HA ASP A 72 4.531 -6.442 -10.302 1.00 11.52 H new ATOM 0 HB2 ASP A 72 5.802 -5.230 -8.535 1.00 24.22 H new ATOM 0 HB3 ASP A 72 5.457 -6.504 -7.383 1.00 24.22 H new ATOM 1133 N ALA A 73 4.389 -8.907 -10.336 1.00 12.10 N ATOM 1134 CA ALA A 73 4.221 -10.373 -10.467 1.00 42.12 C ATOM 1135 C ALA A 73 5.347 -11.153 -9.744 1.00 41.51 C ATOM 1136 O ALA A 73 5.162 -12.319 -9.381 1.00 74.20 O ATOM 1137 CB ALA A 73 4.156 -10.762 -11.954 1.00 74.22 C ATOM 0 H ALA A 73 4.710 -8.456 -11.193 1.00 12.10 H new ATOM 0 HA ALA A 73 3.283 -10.647 -9.984 1.00 42.12 H new ATOM 0 HB1 ALA A 73 4.032 -11.841 -12.043 1.00 74.22 H new ATOM 0 HB2 ALA A 73 3.311 -10.260 -12.425 1.00 74.22 H new ATOM 0 HB3 ALA A 73 5.079 -10.461 -12.450 1.00 74.22 H new ATOM 1143 N LYS A 74 6.512 -10.499 -9.545 1.00 15.10 N ATOM 1144 CA LYS A 74 7.659 -11.091 -8.816 1.00 72.24 C ATOM 1145 C LYS A 74 7.419 -11.083 -7.284 1.00 63.34 C ATOM 1146 O LYS A 74 7.912 -11.962 -6.571 1.00 20.05 O ATOM 1147 CB LYS A 74 8.966 -10.348 -9.165 1.00 65.31 C ATOM 1148 CG LYS A 74 9.283 -10.318 -10.674 1.00 35.51 C ATOM 1149 CD LYS A 74 10.669 -9.718 -10.961 1.00 55.12 C ATOM 1150 CE LYS A 74 10.993 -9.657 -12.463 1.00 32.33 C ATOM 1151 NZ LYS A 74 12.348 -9.098 -12.718 1.00 21.53 N ATOM 0 H LYS A 74 6.685 -9.552 -9.882 1.00 15.10 H new ATOM 0 HA LYS A 74 7.755 -12.130 -9.133 1.00 72.24 H new ATOM 0 HB2 LYS A 74 8.900 -9.324 -8.797 1.00 65.31 H new ATOM 0 HB3 LYS A 74 9.794 -10.823 -8.639 1.00 65.31 H new ATOM 0 HG2 LYS A 74 9.237 -11.331 -11.074 1.00 35.51 H new ATOM 0 HG3 LYS A 74 8.522 -9.735 -11.193 1.00 35.51 H new ATOM 0 HD2 LYS A 74 10.718 -8.713 -10.542 1.00 55.12 H new ATOM 0 HD3 LYS A 74 11.429 -10.312 -10.454 1.00 55.12 H new ATOM 0 HE2 LYS A 74 10.928 -10.658 -12.889 1.00 32.33 H new ATOM 0 HE3 LYS A 74 10.247 -9.045 -12.970 1.00 32.33 H new ATOM 0 HZ1 LYS A 74 12.527 -9.074 -13.742 1.00 21.53 H new ATOM 0 HZ2 LYS A 74 12.403 -8.133 -12.334 1.00 21.53 H new ATOM 0 HZ3 LYS A 74 13.063 -9.696 -12.256 1.00 21.53 H new ATOM 1165 N ASN A 75 6.667 -10.076 -6.790 1.00 72.31 N ATOM 1166 CA ASN A 75 6.235 -10.004 -5.372 1.00 15.44 C ATOM 1167 C ASN A 75 4.769 -9.476 -5.256 1.00 71.52 C ATOM 1168 O ASN A 75 4.543 -8.290 -4.971 1.00 3.23 O ATOM 1169 CB ASN A 75 7.228 -9.124 -4.556 1.00 14.04 C ATOM 1170 CG ASN A 75 6.932 -9.082 -3.050 1.00 63.05 C ATOM 1171 OD1 ASN A 75 6.431 -10.039 -2.461 1.00 33.32 O ATOM 1172 ND2 ASN A 75 7.251 -7.972 -2.416 1.00 53.25 N ATOM 0 H ASN A 75 6.342 -9.293 -7.357 1.00 72.31 H new ATOM 0 HA ASN A 75 6.246 -11.010 -4.951 1.00 15.44 H new ATOM 0 HB2 ASN A 75 8.240 -9.501 -4.707 1.00 14.04 H new ATOM 0 HB3 ASN A 75 7.204 -8.108 -4.949 1.00 14.04 H new ATOM 0 HD21 ASN A 75 7.084 -7.891 -1.413 1.00 53.25 H new ATOM 0 HD22 ASN A 75 7.665 -7.193 -2.928 1.00 53.25 H new ATOM 1179 N PRO A 76 3.738 -10.345 -5.531 1.00 64.33 N ATOM 1180 CA PRO A 76 2.310 -9.986 -5.323 1.00 34.14 C ATOM 1181 C PRO A 76 1.843 -10.193 -3.853 1.00 42.22 C ATOM 1182 O PRO A 76 0.779 -9.699 -3.450 1.00 14.23 O ATOM 1183 CB PRO A 76 1.593 -10.941 -6.306 1.00 4.21 C ATOM 1184 CG PRO A 76 2.440 -12.182 -6.310 1.00 42.21 C ATOM 1185 CD PRO A 76 3.875 -11.718 -6.104 1.00 74.51 C ATOM 0 HA PRO A 76 2.101 -8.931 -5.503 1.00 34.14 H new ATOM 0 HB2 PRO A 76 0.575 -11.156 -5.980 1.00 4.21 H new ATOM 0 HB3 PRO A 76 1.523 -10.505 -7.303 1.00 4.21 H new ATOM 0 HG2 PRO A 76 2.134 -12.865 -5.517 1.00 42.21 H new ATOM 0 HG3 PRO A 76 2.337 -12.721 -7.252 1.00 42.21 H new ATOM 0 HD2 PRO A 76 4.414 -12.380 -5.427 1.00 74.51 H new ATOM 0 HD3 PRO A 76 4.428 -11.704 -7.043 1.00 74.51 H new ATOM 1193 N ASP A 77 2.668 -10.920 -3.064 1.00 52.11 N ATOM 1194 CA ASP A 77 2.462 -11.134 -1.616 1.00 15.23 C ATOM 1195 C ASP A 77 2.459 -9.814 -0.820 1.00 21.23 C ATOM 1196 O ASP A 77 1.867 -9.747 0.258 1.00 41.03 O ATOM 1197 CB ASP A 77 3.552 -12.095 -1.068 1.00 33.21 C ATOM 1198 CG ASP A 77 3.314 -13.558 -1.471 1.00 72.05 C ATOM 1199 OD1 ASP A 77 3.107 -13.834 -2.675 1.00 51.03 O ATOM 1200 OD2 ASP A 77 3.285 -14.436 -0.584 1.00 34.10 O ATOM 0 H ASP A 77 3.506 -11.379 -3.422 1.00 52.11 H new ATOM 0 HA ASP A 77 1.477 -11.583 -1.487 1.00 15.23 H new ATOM 0 HB2 ASP A 77 4.528 -11.776 -1.434 1.00 33.21 H new ATOM 0 HB3 ASP A 77 3.580 -12.023 0.019 1.00 33.21 H new ATOM 1205 N LEU A 78 3.110 -8.775 -1.374 1.00 12.14 N ATOM 1206 CA LEU A 78 3.118 -7.416 -0.791 1.00 44.12 C ATOM 1207 C LEU A 78 1.674 -6.892 -0.550 1.00 2.23 C ATOM 1208 O LEU A 78 1.383 -6.302 0.492 1.00 32.44 O ATOM 1209 CB LEU A 78 3.915 -6.455 -1.713 1.00 23.34 C ATOM 1210 CG LEU A 78 4.101 -4.994 -1.184 1.00 10.23 C ATOM 1211 CD1 LEU A 78 4.767 -4.981 0.216 1.00 73.51 C ATOM 1212 CD2 LEU A 78 4.892 -4.132 -2.194 1.00 64.43 C ATOM 0 H LEU A 78 3.646 -8.851 -2.238 1.00 12.14 H new ATOM 0 HA LEU A 78 3.609 -7.459 0.181 1.00 44.12 H new ATOM 0 HB2 LEU A 78 4.901 -6.885 -1.887 1.00 23.34 H new ATOM 0 HB3 LEU A 78 3.412 -6.409 -2.679 1.00 23.34 H new ATOM 0 HG LEU A 78 3.111 -4.551 -1.077 1.00 10.23 H new ATOM 0 HD11 LEU A 78 4.882 -3.951 0.555 1.00 73.51 H new ATOM 0 HD12 LEU A 78 4.141 -5.527 0.922 1.00 73.51 H new ATOM 0 HD13 LEU A 78 5.747 -5.455 0.157 1.00 73.51 H new ATOM 0 HD21 LEU A 78 5.006 -3.122 -1.800 1.00 64.43 H new ATOM 0 HD22 LEU A 78 5.876 -4.572 -2.355 1.00 64.43 H new ATOM 0 HD23 LEU A 78 4.353 -4.093 -3.140 1.00 64.43 H new ATOM 1224 N ARG A 79 0.780 -7.144 -1.524 1.00 74.34 N ATOM 1225 CA ARG A 79 -0.671 -6.884 -1.375 1.00 24.52 C ATOM 1226 C ARG A 79 -1.345 -7.924 -0.452 1.00 1.33 C ATOM 1227 O ARG A 79 -2.060 -7.548 0.468 1.00 21.14 O ATOM 1228 CB ARG A 79 -1.381 -6.873 -2.758 1.00 13.11 C ATOM 1229 CG ARG A 79 -1.073 -5.638 -3.621 1.00 3.31 C ATOM 1230 CD ARG A 79 -1.793 -5.670 -4.979 1.00 20.02 C ATOM 1231 NE ARG A 79 -1.275 -6.740 -5.851 1.00 34.44 N ATOM 1232 CZ ARG A 79 -1.905 -7.267 -6.875 1.00 30.41 C ATOM 1233 NH1 ARG A 79 -3.117 -6.928 -7.175 1.00 23.04 N ATOM 1234 NH2 ARG A 79 -1.307 -8.154 -7.594 1.00 2.01 N ATOM 0 H ARG A 79 1.037 -7.531 -2.432 1.00 74.34 H new ATOM 0 HA ARG A 79 -0.772 -5.901 -0.916 1.00 24.52 H new ATOM 0 HB2 ARG A 79 -1.091 -7.768 -3.309 1.00 13.11 H new ATOM 0 HB3 ARG A 79 -2.458 -6.931 -2.600 1.00 13.11 H new ATOM 0 HG2 ARG A 79 -1.367 -4.739 -3.080 1.00 3.31 H new ATOM 0 HG3 ARG A 79 0.003 -5.574 -3.786 1.00 3.31 H new ATOM 0 HD2 ARG A 79 -2.861 -5.817 -4.820 1.00 20.02 H new ATOM 0 HD3 ARG A 79 -1.674 -4.707 -5.476 1.00 20.02 H new ATOM 0 HE ARG A 79 -0.345 -7.103 -5.640 1.00 34.44 H new ATOM 0 HH11 ARG A 79 -3.607 -6.235 -6.610 1.00 23.04 H new ATOM 0 HH12 ARG A 79 -3.582 -7.354 -7.977 1.00 23.04 H new ATOM 0 HH21 ARG A 79 -0.355 -8.439 -7.365 1.00 2.01 H new ATOM 0 HH22 ARG A 79 -1.786 -8.571 -8.392 1.00 2.01 H new ATOM 1248 N ARG A 80 -1.087 -9.231 -0.707 1.00 41.33 N ATOM 1249 CA ARG A 80 -1.806 -10.355 -0.036 1.00 64.41 C ATOM 1250 C ARG A 80 -1.706 -10.313 1.514 1.00 1.21 C ATOM 1251 O ARG A 80 -2.686 -10.583 2.203 1.00 34.12 O ATOM 1252 CB ARG A 80 -1.319 -11.737 -0.563 1.00 30.15 C ATOM 1253 CG ARG A 80 -1.516 -11.961 -2.085 1.00 41.31 C ATOM 1254 CD ARG A 80 -1.494 -13.452 -2.487 1.00 44.22 C ATOM 1255 NE ARG A 80 -0.245 -14.147 -2.109 1.00 20.42 N ATOM 1256 CZ ARG A 80 -0.161 -15.417 -1.757 1.00 65.01 C ATOM 1257 NH1 ARG A 80 -1.221 -16.146 -1.575 1.00 43.13 N ATOM 1258 NH2 ARG A 80 0.994 -15.949 -1.563 1.00 33.12 N ATOM 0 H ARG A 80 -0.382 -9.539 -1.377 1.00 41.33 H new ATOM 0 HA ARG A 80 -2.857 -10.223 -0.293 1.00 64.41 H new ATOM 0 HB2 ARG A 80 -0.260 -11.847 -0.328 1.00 30.15 H new ATOM 0 HB3 ARG A 80 -1.848 -12.522 -0.023 1.00 30.15 H new ATOM 0 HG2 ARG A 80 -2.466 -11.523 -2.390 1.00 41.31 H new ATOM 0 HG3 ARG A 80 -0.732 -11.433 -2.628 1.00 41.31 H new ATOM 0 HD2 ARG A 80 -2.338 -13.959 -2.019 1.00 44.22 H new ATOM 0 HD3 ARG A 80 -1.632 -13.531 -3.565 1.00 44.22 H new ATOM 0 HE ARG A 80 0.618 -13.604 -2.121 1.00 20.42 H new ATOM 0 HH11 ARG A 80 -2.148 -15.740 -1.704 1.00 43.13 H new ATOM 0 HH12 ARG A 80 -1.126 -17.125 -1.303 1.00 43.13 H new ATOM 0 HH21 ARG A 80 1.839 -15.390 -1.681 1.00 33.12 H new ATOM 0 HH22 ARG A 80 1.065 -16.930 -1.291 1.00 33.12 H new ATOM 1272 N ASN A 81 -0.521 -9.952 2.043 1.00 51.14 N ATOM 1273 CA ASN A 81 -0.293 -9.834 3.506 1.00 71.41 C ATOM 1274 C ASN A 81 -1.081 -8.644 4.126 1.00 50.14 C ATOM 1275 O ASN A 81 -1.535 -8.731 5.262 1.00 43.42 O ATOM 1276 CB ASN A 81 1.225 -9.716 3.826 1.00 75.34 C ATOM 1277 CG ASN A 81 1.971 -11.055 3.739 1.00 11.25 C ATOM 1278 OD1 ASN A 81 2.025 -11.800 4.709 1.00 22.34 O ATOM 1279 ND2 ASN A 81 2.553 -11.372 2.598 1.00 14.35 N ATOM 0 H ASN A 81 0.301 -9.735 1.479 1.00 51.14 H new ATOM 0 HA ASN A 81 -0.672 -10.748 3.963 1.00 71.41 H new ATOM 0 HB2 ASN A 81 1.681 -9.009 3.133 1.00 75.34 H new ATOM 0 HB3 ASN A 81 1.347 -9.305 4.828 1.00 75.34 H new ATOM 0 HD21 ASN A 81 3.060 -12.253 2.512 1.00 14.35 H new ATOM 0 HD22 ASN A 81 2.495 -10.736 1.802 1.00 14.35 H new ATOM 1286 N VAL A 82 -1.246 -7.547 3.374 1.00 24.44 N ATOM 1287 CA VAL A 82 -2.009 -6.359 3.845 1.00 62.21 C ATOM 1288 C VAL A 82 -3.539 -6.632 3.804 1.00 61.32 C ATOM 1289 O VAL A 82 -4.275 -6.288 4.737 1.00 43.22 O ATOM 1290 CB VAL A 82 -1.652 -5.085 2.990 1.00 51.21 C ATOM 1291 CG1 VAL A 82 -2.400 -3.816 3.486 1.00 51.14 C ATOM 1292 CG2 VAL A 82 -0.118 -4.861 2.974 1.00 65.44 C ATOM 0 H VAL A 82 -0.864 -7.448 2.433 1.00 24.44 H new ATOM 0 HA VAL A 82 -1.723 -6.166 4.879 1.00 62.21 H new ATOM 0 HB VAL A 82 -1.989 -5.267 1.970 1.00 51.21 H new ATOM 0 HG11 VAL A 82 -2.122 -2.964 2.866 1.00 51.14 H new ATOM 0 HG12 VAL A 82 -3.476 -3.978 3.418 1.00 51.14 H new ATOM 0 HG13 VAL A 82 -2.128 -3.615 4.522 1.00 51.14 H new ATOM 0 HG21 VAL A 82 0.114 -3.977 2.380 1.00 65.44 H new ATOM 0 HG22 VAL A 82 0.239 -4.717 3.994 1.00 65.44 H new ATOM 0 HG23 VAL A 82 0.372 -5.731 2.537 1.00 65.44 H new ATOM 1302 N LEU A 83 -3.985 -7.291 2.719 1.00 63.31 N ATOM 1303 CA LEU A 83 -5.403 -7.669 2.503 1.00 2.12 C ATOM 1304 C LEU A 83 -5.887 -8.732 3.525 1.00 42.30 C ATOM 1305 O LEU A 83 -7.048 -8.722 3.941 1.00 52.00 O ATOM 1306 CB LEU A 83 -5.594 -8.195 1.056 1.00 42.15 C ATOM 1307 CG LEU A 83 -5.263 -7.191 -0.097 1.00 43.14 C ATOM 1308 CD1 LEU A 83 -5.322 -7.885 -1.475 1.00 31.43 C ATOM 1309 CD2 LEU A 83 -6.191 -5.954 -0.057 1.00 35.41 C ATOM 0 H LEU A 83 -3.370 -7.581 1.958 1.00 63.31 H new ATOM 0 HA LEU A 83 -6.009 -6.775 2.652 1.00 2.12 H new ATOM 0 HB2 LEU A 83 -4.970 -9.080 0.929 1.00 42.15 H new ATOM 0 HB3 LEU A 83 -6.629 -8.516 0.943 1.00 42.15 H new ATOM 0 HG LEU A 83 -4.243 -6.841 0.059 1.00 43.14 H new ATOM 0 HD11 LEU A 83 -5.088 -7.162 -2.257 1.00 31.43 H new ATOM 0 HD12 LEU A 83 -4.597 -8.699 -1.504 1.00 31.43 H new ATOM 0 HD13 LEU A 83 -6.323 -8.285 -1.639 1.00 31.43 H new ATOM 0 HD21 LEU A 83 -5.932 -5.278 -0.872 1.00 35.41 H new ATOM 0 HD22 LEU A 83 -7.228 -6.273 -0.165 1.00 35.41 H new ATOM 0 HD23 LEU A 83 -6.068 -5.438 0.895 1.00 35.41 H new ATOM 1321 N CYS A 84 -4.983 -9.653 3.909 1.00 75.13 N ATOM 1322 CA CYS A 84 -5.261 -10.700 4.928 1.00 5.33 C ATOM 1323 C CYS A 84 -5.110 -10.165 6.378 1.00 33.10 C ATOM 1324 O CYS A 84 -5.405 -10.883 7.334 1.00 11.40 O ATOM 1325 CB CYS A 84 -4.330 -11.914 4.707 1.00 43.42 C ATOM 1326 SG CYS A 84 -4.543 -12.715 3.101 1.00 31.42 S ATOM 0 H CYS A 84 -4.039 -9.698 3.526 1.00 75.13 H new ATOM 0 HA CYS A 84 -6.299 -11.008 4.804 1.00 5.33 H new ATOM 0 HB2 CYS A 84 -3.294 -11.588 4.805 1.00 43.42 H new ATOM 0 HB3 CYS A 84 -4.510 -12.646 5.494 1.00 43.42 H new ATOM 0 HG CYS A 84 -3.841 -12.086 2.206 1.00 31.42 H new ATOM 1332 N GLY A 85 -4.640 -8.909 6.526 1.00 42.34 N ATOM 1333 CA GLY A 85 -4.500 -8.260 7.847 1.00 62.31 C ATOM 1334 C GLY A 85 -3.257 -8.696 8.644 1.00 30.32 C ATOM 1335 O GLY A 85 -3.233 -8.581 9.872 1.00 44.32 O ATOM 0 H GLY A 85 -4.350 -8.322 5.744 1.00 42.34 H new ATOM 0 HA2 GLY A 85 -4.465 -7.180 7.705 1.00 62.31 H new ATOM 0 HA3 GLY A 85 -5.390 -8.475 8.439 1.00 62.31 H new ATOM 1339 N ALA A 86 -2.241 -9.226 7.941 1.00 22.54 N ATOM 1340 CA ALA A 86 -0.936 -9.603 8.538 1.00 33.14 C ATOM 1341 C ALA A 86 -0.078 -8.349 8.840 1.00 52.23 C ATOM 1342 O ALA A 86 0.270 -8.083 9.995 1.00 5.45 O ATOM 1343 CB ALA A 86 -0.181 -10.565 7.603 1.00 42.35 C ATOM 0 H ALA A 86 -2.296 -9.408 6.939 1.00 22.54 H new ATOM 0 HA ALA A 86 -1.127 -10.112 9.483 1.00 33.14 H new ATOM 0 HB1 ALA A 86 0.775 -10.834 8.053 1.00 42.35 H new ATOM 0 HB2 ALA A 86 -0.776 -11.465 7.450 1.00 42.35 H new ATOM 0 HB3 ALA A 86 -0.006 -10.078 6.644 1.00 42.35 H new ATOM 1349 N ILE A 87 0.255 -7.581 7.780 1.00 34.23 N ATOM 1350 CA ILE A 87 0.996 -6.304 7.919 1.00 51.12 C ATOM 1351 C ILE A 87 -0.005 -5.165 8.218 1.00 73.31 C ATOM 1352 O ILE A 87 -0.901 -4.895 7.401 1.00 65.24 O ATOM 1353 CB ILE A 87 1.828 -5.960 6.621 1.00 44.35 C ATOM 1354 CG1 ILE A 87 2.767 -7.152 6.231 1.00 3.24 C ATOM 1355 CG2 ILE A 87 2.653 -4.658 6.822 1.00 75.12 C ATOM 1356 CD1 ILE A 87 3.566 -6.948 4.950 1.00 32.11 C ATOM 0 H ILE A 87 0.023 -7.822 6.816 1.00 34.23 H new ATOM 0 HA ILE A 87 1.703 -6.411 8.742 1.00 51.12 H new ATOM 0 HB ILE A 87 1.126 -5.796 5.804 1.00 44.35 H new ATOM 0 HG12 ILE A 87 3.463 -7.331 7.051 1.00 3.24 H new ATOM 0 HG13 ILE A 87 2.162 -8.052 6.125 1.00 3.24 H new ATOM 0 HG21 ILE A 87 3.218 -4.441 5.915 1.00 75.12 H new ATOM 0 HG22 ILE A 87 1.978 -3.829 7.036 1.00 75.12 H new ATOM 0 HG23 ILE A 87 3.342 -4.789 7.656 1.00 75.12 H new ATOM 0 HD11 ILE A 87 4.185 -7.825 4.764 1.00 32.11 H new ATOM 0 HD12 ILE A 87 2.882 -6.803 4.114 1.00 32.11 H new ATOM 0 HD13 ILE A 87 4.203 -6.070 5.055 1.00 32.11 H new ATOM 1368 N THR A 88 0.152 -4.501 9.381 1.00 3.32 N ATOM 1369 CA THR A 88 -0.789 -3.442 9.824 1.00 43.04 C ATOM 1370 C THR A 88 -0.577 -2.123 9.022 1.00 11.11 C ATOM 1371 O THR A 88 0.558 -1.832 8.624 1.00 13.21 O ATOM 1372 CB THR A 88 -0.676 -3.156 11.365 1.00 34.30 C ATOM 1373 OG1 THR A 88 0.589 -2.556 11.682 1.00 1.53 O ATOM 1374 CG2 THR A 88 -0.867 -4.435 12.204 1.00 32.40 C ATOM 0 H THR A 88 0.918 -4.676 10.032 1.00 3.32 H new ATOM 0 HA THR A 88 -1.793 -3.818 9.624 1.00 43.04 H new ATOM 0 HB THR A 88 -1.478 -2.462 11.617 1.00 34.30 H new ATOM 0 HG1 THR A 88 0.638 -2.385 12.646 1.00 1.53 H new ATOM 0 HG21 THR A 88 -0.781 -4.192 13.263 1.00 32.40 H new ATOM 0 HG22 THR A 88 -1.853 -4.855 12.007 1.00 32.40 H new ATOM 0 HG23 THR A 88 -0.102 -5.164 11.936 1.00 32.40 H new ATOM 1382 N PRO A 89 -1.684 -1.334 8.757 1.00 75.42 N ATOM 1383 CA PRO A 89 -1.666 -0.051 7.978 1.00 71.14 C ATOM 1384 C PRO A 89 -0.453 0.896 8.207 1.00 12.44 C ATOM 1385 O PRO A 89 0.083 1.461 7.249 1.00 14.04 O ATOM 1386 CB PRO A 89 -2.959 0.617 8.466 1.00 55.03 C ATOM 1387 CG PRO A 89 -3.922 -0.515 8.627 1.00 4.12 C ATOM 1388 CD PRO A 89 -3.092 -1.664 9.172 1.00 13.42 C ATOM 0 HA PRO A 89 -1.585 -0.256 6.911 1.00 71.14 H new ATOM 0 HB2 PRO A 89 -2.804 1.144 9.407 1.00 55.03 H new ATOM 0 HB3 PRO A 89 -3.324 1.350 7.747 1.00 55.03 H new ATOM 0 HG2 PRO A 89 -4.729 -0.252 9.311 1.00 4.12 H new ATOM 0 HG3 PRO A 89 -4.384 -0.778 7.675 1.00 4.12 H new ATOM 0 HD2 PRO A 89 -3.180 -1.739 10.256 1.00 13.42 H new ATOM 0 HD3 PRO A 89 -3.415 -2.619 8.759 1.00 13.42 H new ATOM 1396 N GLN A 90 -0.050 1.064 9.481 1.00 12.23 N ATOM 1397 CA GLN A 90 1.082 1.950 9.862 1.00 32.30 C ATOM 1398 C GLN A 90 2.417 1.376 9.320 1.00 51.14 C ATOM 1399 O GLN A 90 3.204 2.096 8.689 1.00 52.24 O ATOM 1400 CB GLN A 90 1.114 2.116 11.421 1.00 23.03 C ATOM 1401 CG GLN A 90 1.928 3.314 11.991 1.00 74.12 C ATOM 1402 CD GLN A 90 3.458 3.144 11.957 1.00 32.02 C ATOM 1403 OE1 GLN A 90 4.058 2.614 12.885 1.00 63.13 O ATOM 1404 NE2 GLN A 90 4.105 3.646 10.923 1.00 2.13 N ATOM 0 H GLN A 90 -0.491 0.597 10.273 1.00 12.23 H new ATOM 0 HA GLN A 90 0.945 2.935 9.417 1.00 32.30 H new ATOM 0 HB2 GLN A 90 0.086 2.208 11.772 1.00 23.03 H new ATOM 0 HB3 GLN A 90 1.517 1.199 11.850 1.00 23.03 H new ATOM 0 HG2 GLN A 90 1.666 4.210 11.429 1.00 74.12 H new ATOM 0 HG3 GLN A 90 1.620 3.483 13.023 1.00 74.12 H new ATOM 0 HE21 GLN A 90 3.587 4.083 10.161 1.00 2.13 H new ATOM 0 HE22 GLN A 90 5.123 3.597 10.886 1.00 2.13 H new ATOM 1413 N GLN A 91 2.619 0.058 9.533 1.00 10.54 N ATOM 1414 CA GLN A 91 3.848 -0.661 9.134 1.00 13.02 C ATOM 1415 C GLN A 91 4.061 -0.633 7.599 1.00 55.13 C ATOM 1416 O GLN A 91 5.128 -0.227 7.132 1.00 64.42 O ATOM 1417 CB GLN A 91 3.786 -2.128 9.641 1.00 42.14 C ATOM 1418 CG GLN A 91 3.753 -2.279 11.175 1.00 40.13 C ATOM 1419 CD GLN A 91 3.597 -3.738 11.638 1.00 3.51 C ATOM 1420 OE1 GLN A 91 2.982 -4.563 10.965 1.00 35.12 O ATOM 1421 NE2 GLN A 91 4.121 -4.065 12.802 1.00 23.24 N ATOM 0 H GLN A 91 1.930 -0.540 9.989 1.00 10.54 H new ATOM 0 HA GLN A 91 4.697 -0.152 9.590 1.00 13.02 H new ATOM 0 HB2 GLN A 91 2.899 -2.605 9.223 1.00 42.14 H new ATOM 0 HB3 GLN A 91 4.650 -2.668 9.255 1.00 42.14 H new ATOM 0 HG2 GLN A 91 4.672 -1.868 11.594 1.00 40.13 H new ATOM 0 HG3 GLN A 91 2.929 -1.688 11.574 1.00 40.13 H new ATOM 0 HE21 GLN A 91 4.628 -3.368 13.347 1.00 23.24 H new ATOM 0 HE22 GLN A 91 4.020 -5.015 13.158 1.00 23.24 H new ATOM 1430 N ILE A 92 3.027 -1.053 6.829 1.00 35.45 N ATOM 1431 CA ILE A 92 3.083 -1.077 5.342 1.00 52.04 C ATOM 1432 C ILE A 92 3.304 0.344 4.748 1.00 31.32 C ATOM 1433 O ILE A 92 4.143 0.507 3.871 1.00 2.21 O ATOM 1434 CB ILE A 92 1.807 -1.765 4.693 1.00 73.14 C ATOM 1435 CG1 ILE A 92 1.824 -1.703 3.118 1.00 53.31 C ATOM 1436 CG2 ILE A 92 0.496 -1.181 5.252 1.00 60.15 C ATOM 1437 CD1 ILE A 92 2.964 -2.464 2.449 1.00 74.23 C ATOM 0 H ILE A 92 2.141 -1.381 7.213 1.00 35.45 H new ATOM 0 HA ILE A 92 3.947 -1.690 5.084 1.00 52.04 H new ATOM 0 HB ILE A 92 1.853 -2.817 4.974 1.00 73.14 H new ATOM 0 HG12 ILE A 92 0.878 -2.096 2.745 1.00 53.31 H new ATOM 0 HG13 ILE A 92 1.878 -0.658 2.812 1.00 53.31 H new ATOM 0 HG21 ILE A 92 -0.353 -1.678 4.783 1.00 60.15 H new ATOM 0 HG22 ILE A 92 0.458 -1.338 6.330 1.00 60.15 H new ATOM 0 HG23 ILE A 92 0.454 -0.113 5.039 1.00 60.15 H new ATOM 0 HD11 ILE A 92 2.886 -2.359 1.367 1.00 74.23 H new ATOM 0 HD12 ILE A 92 3.918 -2.059 2.785 1.00 74.23 H new ATOM 0 HD13 ILE A 92 2.904 -3.519 2.716 1.00 74.23 H new ATOM 1449 N ALA A 93 2.595 1.360 5.278 1.00 52.32 N ATOM 1450 CA ALA A 93 2.647 2.756 4.759 1.00 60.20 C ATOM 1451 C ALA A 93 4.092 3.317 4.686 1.00 42.05 C ATOM 1452 O ALA A 93 4.506 3.888 3.670 1.00 74.22 O ATOM 1453 CB ALA A 93 1.775 3.671 5.631 1.00 24.43 C ATOM 0 H ALA A 93 1.970 1.245 6.076 1.00 52.32 H new ATOM 0 HA ALA A 93 2.262 2.732 3.740 1.00 60.20 H new ATOM 0 HB1 ALA A 93 1.818 4.690 5.246 1.00 24.43 H new ATOM 0 HB2 ALA A 93 0.744 3.318 5.611 1.00 24.43 H new ATOM 0 HB3 ALA A 93 2.143 3.655 6.657 1.00 24.43 H new ATOM 1459 N VAL A 94 4.854 3.104 5.773 1.00 33.53 N ATOM 1460 CA VAL A 94 6.231 3.634 5.928 1.00 61.20 C ATOM 1461 C VAL A 94 7.332 2.598 5.553 1.00 62.04 C ATOM 1462 O VAL A 94 8.527 2.924 5.587 1.00 72.40 O ATOM 1463 CB VAL A 94 6.447 4.135 7.406 1.00 54.15 C ATOM 1464 CG1 VAL A 94 5.423 5.244 7.769 1.00 62.23 C ATOM 1465 CG2 VAL A 94 6.394 2.955 8.420 1.00 24.14 C ATOM 0 H VAL A 94 4.536 2.559 6.574 1.00 33.53 H new ATOM 0 HA VAL A 94 6.330 4.464 5.229 1.00 61.20 H new ATOM 0 HB VAL A 94 7.445 4.569 7.470 1.00 54.15 H new ATOM 0 HG11 VAL A 94 5.592 5.574 8.794 1.00 62.23 H new ATOM 0 HG12 VAL A 94 5.546 6.089 7.091 1.00 62.23 H new ATOM 0 HG13 VAL A 94 4.411 4.849 7.677 1.00 62.23 H new ATOM 0 HG21 VAL A 94 6.547 3.336 9.430 1.00 24.14 H new ATOM 0 HG22 VAL A 94 5.421 2.467 8.360 1.00 24.14 H new ATOM 0 HG23 VAL A 94 7.177 2.235 8.182 1.00 24.14 H new ATOM 1475 N MET A 95 6.931 1.352 5.208 1.00 32.43 N ATOM 1476 CA MET A 95 7.883 0.265 4.873 1.00 25.13 C ATOM 1477 C MET A 95 8.623 0.536 3.532 1.00 4.41 C ATOM 1478 O MET A 95 7.994 0.840 2.515 1.00 4.21 O ATOM 1479 CB MET A 95 7.155 -1.107 4.843 1.00 12.14 C ATOM 1480 CG MET A 95 8.069 -2.305 4.563 1.00 0.02 C ATOM 1481 SD MET A 95 7.346 -3.903 4.999 1.00 14.35 S ATOM 1482 CE MET A 95 5.885 -3.956 3.973 1.00 62.00 C ATOM 0 H MET A 95 5.951 1.073 5.154 1.00 32.43 H new ATOM 0 HA MET A 95 8.641 0.236 5.656 1.00 25.13 H new ATOM 0 HB2 MET A 95 6.658 -1.261 5.801 1.00 12.14 H new ATOM 0 HB3 MET A 95 6.376 -1.074 4.081 1.00 12.14 H new ATOM 0 HG2 MET A 95 8.327 -2.312 3.504 1.00 0.02 H new ATOM 0 HG3 MET A 95 8.999 -2.176 5.117 1.00 0.02 H new ATOM 0 HE1 MET A 95 4.996 -3.914 4.603 1.00 62.00 H new ATOM 0 HE2 MET A 95 5.888 -3.105 3.292 1.00 62.00 H new ATOM 0 HE3 MET A 95 5.878 -4.882 3.397 1.00 62.00 H new ATOM 1492 N THR A 96 9.967 0.420 3.561 1.00 61.45 N ATOM 1493 CA THR A 96 10.848 0.726 2.402 1.00 74.32 C ATOM 1494 C THR A 96 10.867 -0.420 1.363 1.00 54.53 C ATOM 1495 O THR A 96 10.498 -1.551 1.672 1.00 14.12 O ATOM 1496 CB THR A 96 12.324 0.984 2.867 1.00 21.32 C ATOM 1497 OG1 THR A 96 12.902 -0.237 3.368 1.00 24.12 O ATOM 1498 CG2 THR A 96 12.407 2.074 3.955 1.00 35.43 C ATOM 0 H THR A 96 10.478 0.111 4.388 1.00 61.45 H new ATOM 0 HA THR A 96 10.434 1.622 1.939 1.00 74.32 H new ATOM 0 HB THR A 96 12.882 1.334 1.998 1.00 21.32 H new ATOM 0 HG1 THR A 96 13.824 -0.069 3.655 1.00 24.12 H new ATOM 0 HG21 THR A 96 13.447 2.219 4.246 1.00 35.43 H new ATOM 0 HG22 THR A 96 12.006 3.009 3.564 1.00 35.43 H new ATOM 0 HG23 THR A 96 11.826 1.765 4.824 1.00 35.43 H new ATOM 1506 N SER A 97 11.347 -0.114 0.136 1.00 41.41 N ATOM 1507 CA SER A 97 11.488 -1.107 -0.972 1.00 25.32 C ATOM 1508 C SER A 97 12.425 -2.284 -0.592 1.00 13.40 C ATOM 1509 O SER A 97 12.263 -3.409 -1.081 1.00 61.44 O ATOM 1510 CB SER A 97 12.012 -0.403 -2.244 1.00 40.01 C ATOM 1511 OG SER A 97 13.294 0.173 -2.026 1.00 30.12 O ATOM 0 H SER A 97 11.649 0.826 -0.121 1.00 41.41 H new ATOM 0 HA SER A 97 10.501 -1.528 -1.162 1.00 25.32 H new ATOM 0 HB2 SER A 97 12.068 -1.121 -3.062 1.00 40.01 H new ATOM 0 HB3 SER A 97 11.309 0.373 -2.548 1.00 40.01 H new ATOM 0 HG SER A 97 13.601 0.610 -2.848 1.00 30.12 H new ATOM 1517 N GLU A 98 13.392 -1.988 0.292 1.00 12.41 N ATOM 1518 CA GLU A 98 14.328 -2.980 0.870 1.00 4.53 C ATOM 1519 C GLU A 98 13.567 -4.044 1.695 1.00 60.00 C ATOM 1520 O GLU A 98 13.733 -5.252 1.502 1.00 54.33 O ATOM 1521 CB GLU A 98 15.352 -2.244 1.781 1.00 24.41 C ATOM 1522 CG GLU A 98 16.107 -1.088 1.087 1.00 75.13 C ATOM 1523 CD GLU A 98 17.012 -0.296 2.051 1.00 31.54 C ATOM 1524 OE1 GLU A 98 16.501 0.600 2.761 1.00 24.33 O ATOM 1525 OE2 GLU A 98 18.222 -0.589 2.128 1.00 2.20 O ATOM 0 H GLU A 98 13.552 -1.040 0.633 1.00 12.41 H new ATOM 0 HA GLU A 98 14.847 -3.487 0.057 1.00 4.53 H new ATOM 0 HB2 GLU A 98 14.828 -1.849 2.651 1.00 24.41 H new ATOM 0 HB3 GLU A 98 16.079 -2.968 2.149 1.00 24.41 H new ATOM 0 HG2 GLU A 98 16.714 -1.492 0.277 1.00 75.13 H new ATOM 0 HG3 GLU A 98 15.384 -0.409 0.635 1.00 75.13 H new ATOM 1532 N GLU A 99 12.715 -3.547 2.599 1.00 11.33 N ATOM 1533 CA GLU A 99 11.915 -4.373 3.523 1.00 60.45 C ATOM 1534 C GLU A 99 10.749 -5.108 2.811 1.00 41.40 C ATOM 1535 O GLU A 99 10.343 -6.190 3.238 1.00 31.13 O ATOM 1536 CB GLU A 99 11.349 -3.469 4.630 1.00 13.23 C ATOM 1537 CG GLU A 99 12.393 -2.764 5.513 1.00 32.42 C ATOM 1538 CD GLU A 99 11.729 -1.833 6.542 1.00 20.12 C ATOM 1539 OE1 GLU A 99 11.315 -0.715 6.153 1.00 50.33 O ATOM 1540 OE2 GLU A 99 11.570 -2.229 7.720 1.00 52.04 O ATOM 0 H GLU A 99 12.557 -2.546 2.714 1.00 11.33 H new ATOM 0 HA GLU A 99 12.571 -5.139 3.938 1.00 60.45 H new ATOM 0 HB2 GLU A 99 10.719 -2.709 4.167 1.00 13.23 H new ATOM 0 HB3 GLU A 99 10.704 -4.070 5.271 1.00 13.23 H new ATOM 0 HG2 GLU A 99 12.995 -3.510 6.032 1.00 32.42 H new ATOM 0 HG3 GLU A 99 13.072 -2.187 4.885 1.00 32.42 H new ATOM 1547 N MET A 100 10.191 -4.483 1.751 1.00 51.24 N ATOM 1548 CA MET A 100 9.109 -5.092 0.938 1.00 22.03 C ATOM 1549 C MET A 100 9.628 -6.289 0.107 1.00 0.34 C ATOM 1550 O MET A 100 8.877 -7.228 -0.178 1.00 44.53 O ATOM 1551 CB MET A 100 8.451 -4.040 0.001 1.00 13.22 C ATOM 1552 CG MET A 100 7.736 -2.888 0.733 1.00 43.14 C ATOM 1553 SD MET A 100 6.681 -1.895 -0.352 1.00 61.44 S ATOM 1554 CE MET A 100 7.837 -1.272 -1.568 1.00 54.14 C ATOM 0 H MET A 100 10.471 -3.554 1.436 1.00 51.24 H new ATOM 0 HA MET A 100 8.355 -5.460 1.634 1.00 22.03 H new ATOM 0 HB2 MET A 100 9.219 -3.619 -0.648 1.00 13.22 H new ATOM 0 HB3 MET A 100 7.732 -4.546 -0.643 1.00 13.22 H new ATOM 0 HG2 MET A 100 7.130 -3.300 1.540 1.00 43.14 H new ATOM 0 HG3 MET A 100 8.482 -2.241 1.194 1.00 43.14 H new ATOM 0 HE1 MET A 100 7.299 -0.692 -2.318 1.00 54.14 H new ATOM 0 HE2 MET A 100 8.573 -0.636 -1.077 1.00 54.14 H new ATOM 0 HE3 MET A 100 8.344 -2.108 -2.050 1.00 54.14 H new