USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 841 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 62 LYS NZ :NH3+ 177:sc= 0.109 (180deg=-0.542) USER MOD Set 1.2: A 97 THR OG1 : rot 78:sc= 1.03 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 1.25 (180deg=1.25) USER MOD Single : A 14 CYS SG : rot 114:sc= 0.153 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.43 USER MOD Single : A 23 TYR OH : rot 70:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -33:sc= 0.179 USER MOD Single : A 29 LYS NZ :NH3+ -149:sc= -1.11 (180deg=-2.39) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -150:sc= 0.355 (180deg=-0.625) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -167:sc= -0.0371 (180deg=-0.116) USER MOD Single : A 49 LYS NZ :NH3+ -117:sc= 0.326 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 CYS SG : rot -38:sc= -4.96! USER MOD Single : A 54 LYS NZ :NH3+ -112:sc= 0.852 (180deg=0.0626) USER MOD Single : A 57 LYS NZ :NH3+ -122:sc= 0.152! (180deg=-1.19) USER MOD Single : A 63 LYS NZ :NH3+ -145:sc= -0.795 (180deg=-2.2!) USER MOD Single : A 71 LYS NZ :NH3+ 163:sc= 0.623 (180deg=0.35) USER MOD Single : A 72 LYS NZ :NH3+ -152:sc= 0.67 (180deg=0.0535) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -166:sc= -0.0367 (180deg=-0.279) USER MOD Single : A 82 ASN : amide:sc= -0.472 X(o=-0.47,f=-0.11) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= -0.0351 X(o=-0.035,f=-0.035) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 73:sc= 0.485 USER MOD ----------------------------------------------------------------- ATOM 59 N GLU A 5 5.442 -16.953 -4.132 1.00 63.42 N ATOM 60 CA GLU A 5 4.330 -17.069 -5.094 1.00 63.21 C ATOM 61 C GLU A 5 3.281 -15.957 -4.868 1.00 24.02 C ATOM 62 O GLU A 5 2.215 -15.966 -5.490 1.00 40.25 O ATOM 63 CB GLU A 5 3.675 -18.492 -5.058 1.00 1.13 C ATOM 64 CG GLU A 5 3.068 -18.945 -3.706 1.00 14.22 C ATOM 65 CD GLU A 5 4.122 -19.383 -2.668 1.00 11.53 C ATOM 66 OE1 GLU A 5 4.692 -20.484 -2.822 1.00 71.13 O ATOM 67 OE2 GLU A 5 4.398 -18.628 -1.714 1.00 21.50 O ATOM 0 HA GLU A 5 4.747 -16.935 -6.092 1.00 63.21 H new ATOM 0 HB2 GLU A 5 2.888 -18.524 -5.812 1.00 1.13 H new ATOM 0 HB3 GLU A 5 4.429 -19.221 -5.354 1.00 1.13 H new ATOM 0 HG2 GLU A 5 2.479 -18.127 -3.290 1.00 14.22 H new ATOM 0 HG3 GLU A 5 2.382 -19.773 -3.885 1.00 14.22 H new ATOM 74 N LEU A 6 3.588 -15.006 -3.959 1.00 35.44 N ATOM 75 CA LEU A 6 2.847 -13.745 -3.834 1.00 65.54 C ATOM 76 C LEU A 6 3.856 -12.602 -4.047 1.00 30.25 C ATOM 77 O LEU A 6 4.567 -12.198 -3.120 1.00 23.42 O ATOM 78 CB LEU A 6 2.144 -13.627 -2.444 1.00 54.00 C ATOM 79 CG LEU A 6 1.098 -14.755 -2.082 1.00 33.12 C ATOM 80 CD1 LEU A 6 1.781 -16.044 -1.567 1.00 50.01 C ATOM 81 CD2 LEU A 6 0.054 -14.252 -1.072 1.00 3.51 C ATOM 0 H LEU A 6 4.357 -15.097 -3.295 1.00 35.44 H new ATOM 0 HA LEU A 6 2.053 -13.699 -4.579 1.00 65.54 H new ATOM 0 HB2 LEU A 6 2.914 -13.616 -1.673 1.00 54.00 H new ATOM 0 HB3 LEU A 6 1.635 -12.664 -2.400 1.00 54.00 H new ATOM 0 HG LEU A 6 0.582 -15.008 -3.008 1.00 33.12 H new ATOM 0 HD11 LEU A 6 1.021 -16.789 -1.332 1.00 50.01 H new ATOM 0 HD12 LEU A 6 2.447 -16.435 -2.336 1.00 50.01 H new ATOM 0 HD13 LEU A 6 2.357 -15.817 -0.670 1.00 50.01 H new ATOM 0 HD21 LEU A 6 -0.649 -15.054 -0.846 1.00 3.51 H new ATOM 0 HD22 LEU A 6 0.555 -13.940 -0.156 1.00 3.51 H new ATOM 0 HD23 LEU A 6 -0.485 -13.406 -1.497 1.00 3.51 H new ATOM 93 N ARG A 7 3.914 -12.099 -5.286 1.00 55.24 N ATOM 94 CA ARG A 7 4.874 -11.067 -5.701 1.00 14.31 C ATOM 95 C ARG A 7 4.166 -9.715 -5.671 1.00 32.24 C ATOM 96 O ARG A 7 3.189 -9.500 -6.398 1.00 41.34 O ATOM 97 CB ARG A 7 5.422 -11.390 -7.119 1.00 24.30 C ATOM 98 CG ARG A 7 6.133 -12.763 -7.226 1.00 74.15 C ATOM 99 CD ARG A 7 6.483 -13.156 -8.670 1.00 73.15 C ATOM 100 NE ARG A 7 5.287 -13.458 -9.475 1.00 62.53 N ATOM 101 CZ ARG A 7 5.245 -14.326 -10.507 1.00 2.52 C ATOM 102 NH1 ARG A 7 6.330 -14.989 -10.891 1.00 3.43 N ATOM 103 NH2 ARG A 7 4.099 -14.542 -11.138 1.00 4.23 N ATOM 0 H ARG A 7 3.291 -12.399 -6.036 1.00 55.24 H new ATOM 0 HA ARG A 7 5.726 -11.040 -5.021 1.00 14.31 H new ATOM 0 HB2 ARG A 7 4.596 -11.364 -7.830 1.00 24.30 H new ATOM 0 HB3 ARG A 7 6.121 -10.607 -7.414 1.00 24.30 H new ATOM 0 HG2 ARG A 7 7.047 -12.738 -6.632 1.00 74.15 H new ATOM 0 HG3 ARG A 7 5.492 -13.531 -6.793 1.00 74.15 H new ATOM 0 HD2 ARG A 7 7.039 -12.345 -9.140 1.00 73.15 H new ATOM 0 HD3 ARG A 7 7.139 -14.026 -8.658 1.00 73.15 H new ATOM 0 HE ARG A 7 4.423 -12.973 -9.233 1.00 62.53 H new ATOM 0 HH11 ARG A 7 7.214 -14.846 -10.403 1.00 3.43 H new ATOM 0 HH12 ARG A 7 6.279 -15.641 -11.674 1.00 3.43 H new ATOM 0 HH21 ARG A 7 3.254 -14.053 -10.843 1.00 4.23 H new ATOM 0 HH22 ARG A 7 4.062 -15.197 -11.919 1.00 4.23 H new ATOM 117 N VAL A 8 4.634 -8.819 -4.794 1.00 24.54 N ATOM 118 CA VAL A 8 3.996 -7.516 -4.567 1.00 5.23 C ATOM 119 C VAL A 8 4.911 -6.403 -5.089 1.00 44.25 C ATOM 120 O VAL A 8 6.102 -6.360 -4.754 1.00 53.45 O ATOM 121 CB VAL A 8 3.690 -7.265 -3.046 1.00 11.14 C ATOM 122 CG1 VAL A 8 2.562 -6.219 -2.864 1.00 63.43 C ATOM 123 CG2 VAL A 8 3.394 -8.588 -2.306 1.00 52.25 C ATOM 0 H VAL A 8 5.464 -8.976 -4.222 1.00 24.54 H new ATOM 0 HA VAL A 8 3.047 -7.514 -5.103 1.00 5.23 H new ATOM 0 HB VAL A 8 4.585 -6.844 -2.588 1.00 11.14 H new ATOM 0 HG11 VAL A 8 2.374 -6.068 -1.801 1.00 63.43 H new ATOM 0 HG12 VAL A 8 2.865 -5.275 -3.317 1.00 63.43 H new ATOM 0 HG13 VAL A 8 1.652 -6.577 -3.346 1.00 63.43 H new ATOM 0 HG21 VAL A 8 3.186 -8.379 -1.256 1.00 52.25 H new ATOM 0 HG22 VAL A 8 2.528 -9.072 -2.758 1.00 52.25 H new ATOM 0 HG23 VAL A 8 4.258 -9.248 -2.381 1.00 52.25 H new ATOM 133 N GLU A 9 4.342 -5.529 -5.912 1.00 55.52 N ATOM 134 CA GLU A 9 5.028 -4.367 -6.487 1.00 12.31 C ATOM 135 C GLU A 9 4.332 -3.092 -5.997 1.00 2.31 C ATOM 136 O GLU A 9 3.262 -2.743 -6.494 1.00 31.14 O ATOM 137 CB GLU A 9 4.980 -4.466 -8.041 1.00 14.50 C ATOM 138 CG GLU A 9 5.716 -5.695 -8.608 1.00 73.44 C ATOM 139 CD GLU A 9 5.502 -5.896 -10.115 1.00 23.23 C ATOM 140 OE1 GLU A 9 4.452 -6.454 -10.500 1.00 41.52 O ATOM 141 OE2 GLU A 9 6.374 -5.506 -10.918 1.00 25.11 O ATOM 0 H GLU A 9 3.369 -5.606 -6.208 1.00 55.52 H new ATOM 0 HA GLU A 9 6.072 -4.341 -6.174 1.00 12.31 H new ATOM 0 HB2 GLU A 9 3.939 -4.498 -8.362 1.00 14.50 H new ATOM 0 HB3 GLU A 9 5.418 -3.563 -8.467 1.00 14.50 H new ATOM 0 HG2 GLU A 9 6.783 -5.592 -8.411 1.00 73.44 H new ATOM 0 HG3 GLU A 9 5.379 -6.586 -8.079 1.00 73.44 H new ATOM 148 N ILE A 10 4.895 -2.416 -4.983 1.00 15.51 N ATOM 149 CA ILE A 10 4.336 -1.135 -4.524 1.00 13.20 C ATOM 150 C ILE A 10 5.064 -0.006 -5.271 1.00 5.12 C ATOM 151 O ILE A 10 6.269 0.212 -5.090 1.00 1.02 O ATOM 152 CB ILE A 10 4.454 -0.946 -2.969 1.00 25.03 C ATOM 153 CG1 ILE A 10 3.754 -2.126 -2.216 1.00 11.23 C ATOM 154 CG2 ILE A 10 3.868 0.428 -2.537 1.00 54.42 C ATOM 155 CD1 ILE A 10 2.282 -2.299 -2.508 1.00 4.24 C ATOM 0 H ILE A 10 5.722 -2.728 -4.473 1.00 15.51 H new ATOM 0 HA ILE A 10 3.269 -1.117 -4.745 1.00 13.20 H new ATOM 0 HB ILE A 10 5.510 -0.957 -2.698 1.00 25.03 H new ATOM 0 HG12 ILE A 10 4.269 -3.053 -2.470 1.00 11.23 H new ATOM 0 HG13 ILE A 10 3.879 -1.975 -1.144 1.00 11.23 H new ATOM 0 HG21 ILE A 10 3.959 0.539 -1.457 1.00 54.42 H new ATOM 0 HG22 ILE A 10 4.417 1.229 -3.032 1.00 54.42 H new ATOM 0 HG23 ILE A 10 2.816 0.480 -2.819 1.00 54.42 H new ATOM 0 HD11 ILE A 10 1.894 -3.142 -1.937 1.00 4.24 H new ATOM 0 HD12 ILE A 10 1.746 -1.393 -2.226 1.00 4.24 H new ATOM 0 HD13 ILE A 10 2.142 -2.487 -3.573 1.00 4.24 H new ATOM 167 N LYS A 11 4.306 0.685 -6.121 1.00 3.42 N ATOM 168 CA LYS A 11 4.816 1.696 -7.044 1.00 11.44 C ATOM 169 C LYS A 11 4.506 3.085 -6.455 1.00 52.23 C ATOM 170 O LYS A 11 3.403 3.324 -5.978 1.00 41.44 O ATOM 171 CB LYS A 11 4.136 1.453 -8.440 1.00 45.43 C ATOM 172 CG LYS A 11 4.861 2.058 -9.671 1.00 52.25 C ATOM 173 CD LYS A 11 4.675 3.581 -9.796 1.00 22.53 C ATOM 174 CE LYS A 11 5.527 4.207 -10.905 1.00 45.12 C ATOM 175 NZ LYS A 11 5.331 5.674 -10.960 1.00 20.33 N ATOM 0 H LYS A 11 3.297 0.554 -6.188 1.00 3.42 H new ATOM 0 HA LYS A 11 5.895 1.635 -7.182 1.00 11.44 H new ATOM 0 HB2 LYS A 11 4.042 0.378 -8.592 1.00 45.43 H new ATOM 0 HB3 LYS A 11 3.125 1.860 -8.404 1.00 45.43 H new ATOM 0 HG2 LYS A 11 5.925 1.833 -9.605 1.00 52.25 H new ATOM 0 HG3 LYS A 11 4.489 1.578 -10.576 1.00 52.25 H new ATOM 0 HD2 LYS A 11 3.624 3.797 -9.989 1.00 22.53 H new ATOM 0 HD3 LYS A 11 4.927 4.050 -8.845 1.00 22.53 H new ATOM 0 HE2 LYS A 11 6.579 3.983 -10.730 1.00 45.12 H new ATOM 0 HE3 LYS A 11 5.262 3.765 -11.865 1.00 45.12 H new ATOM 0 HZ1 LYS A 11 5.919 6.075 -11.719 1.00 20.33 H new ATOM 0 HZ2 LYS A 11 4.330 5.884 -11.150 1.00 20.33 H new ATOM 0 HZ3 LYS A 11 5.606 6.095 -10.050 1.00 20.33 H new ATOM 189 N ILE A 12 5.503 3.976 -6.450 1.00 72.55 N ATOM 190 CA ILE A 12 5.363 5.342 -5.923 1.00 31.31 C ATOM 191 C ILE A 12 5.099 6.312 -7.087 1.00 75.42 C ATOM 192 O ILE A 12 5.790 6.242 -8.108 1.00 74.11 O ATOM 193 CB ILE A 12 6.676 5.778 -5.158 1.00 32.50 C ATOM 194 CG1 ILE A 12 7.008 4.802 -3.980 1.00 54.44 C ATOM 195 CG2 ILE A 12 6.595 7.236 -4.660 1.00 61.32 C ATOM 196 CD1 ILE A 12 5.924 4.664 -2.916 1.00 10.01 C ATOM 0 H ILE A 12 6.434 3.771 -6.812 1.00 72.55 H new ATOM 0 HA ILE A 12 4.527 5.367 -5.224 1.00 31.31 H new ATOM 0 HB ILE A 12 7.493 5.722 -5.878 1.00 32.50 H new ATOM 0 HG12 ILE A 12 7.212 3.815 -4.396 1.00 54.44 H new ATOM 0 HG13 ILE A 12 7.925 5.141 -3.498 1.00 54.44 H new ATOM 0 HG21 ILE A 12 7.517 7.495 -4.140 1.00 61.32 H new ATOM 0 HG22 ILE A 12 6.458 7.904 -5.510 1.00 61.32 H new ATOM 0 HG23 ILE A 12 5.752 7.341 -3.977 1.00 61.32 H new ATOM 0 HD11 ILE A 12 6.255 3.966 -2.148 1.00 10.01 H new ATOM 0 HD12 ILE A 12 5.732 5.637 -2.464 1.00 10.01 H new ATOM 0 HD13 ILE A 12 5.009 4.291 -3.375 1.00 10.01 H new ATOM 208 N ASP A 13 4.085 7.187 -6.945 1.00 2.32 N ATOM 209 CA ASP A 13 3.882 8.338 -7.856 1.00 11.44 C ATOM 210 C ASP A 13 3.878 9.622 -7.021 1.00 50.41 C ATOM 211 O ASP A 13 2.862 9.992 -6.414 1.00 20.15 O ATOM 212 CB ASP A 13 2.564 8.222 -8.668 1.00 20.15 C ATOM 213 CG ASP A 13 2.577 7.081 -9.684 1.00 42.45 C ATOM 214 OD1 ASP A 13 3.020 7.315 -10.824 1.00 11.02 O ATOM 215 OD2 ASP A 13 2.145 5.958 -9.356 1.00 50.15 O ATOM 0 H ASP A 13 3.387 7.120 -6.204 1.00 2.32 H new ATOM 0 HA ASP A 13 4.696 8.353 -8.581 1.00 11.44 H new ATOM 0 HB2 ASP A 13 1.733 8.075 -7.978 1.00 20.15 H new ATOM 0 HB3 ASP A 13 2.383 9.162 -9.190 1.00 20.15 H new ATOM 220 N CYS A 14 5.034 10.295 -6.982 1.00 54.24 N ATOM 221 CA CYS A 14 5.211 11.552 -6.243 1.00 45.22 C ATOM 222 C CYS A 14 5.205 12.731 -7.226 1.00 12.23 C ATOM 223 O CYS A 14 4.170 13.394 -7.387 1.00 13.42 O ATOM 224 CB CYS A 14 6.505 11.512 -5.390 1.00 13.54 C ATOM 225 SG CYS A 14 6.788 12.998 -4.389 1.00 21.44 S ATOM 0 H CYS A 14 5.877 9.982 -7.464 1.00 54.24 H new ATOM 0 HA CYS A 14 4.381 11.685 -5.549 1.00 45.22 H new ATOM 0 HB2 CYS A 14 6.464 10.646 -4.729 1.00 13.54 H new ATOM 0 HB3 CYS A 14 7.358 11.367 -6.053 1.00 13.54 H new ATOM 0 HG CYS A 14 6.705 12.694 -3.128 1.00 21.44 H new ATOM 313 N THR A 21 9.924 4.914 -7.298 1.00 2.54 N ATOM 314 CA THR A 21 10.456 3.541 -7.364 1.00 72.11 C ATOM 315 C THR A 21 9.339 2.512 -7.151 1.00 13.33 C ATOM 316 O THR A 21 8.262 2.842 -6.636 1.00 23.33 O ATOM 317 CB THR A 21 11.593 3.339 -6.290 1.00 10.14 C ATOM 318 OG1 THR A 21 12.281 2.103 -6.526 1.00 51.03 O ATOM 319 CG2 THR A 21 11.067 3.348 -4.836 1.00 24.45 C ATOM 0 HA THR A 21 10.879 3.389 -8.357 1.00 72.11 H new ATOM 0 HB THR A 21 12.270 4.186 -6.400 1.00 10.14 H new ATOM 0 HG1 THR A 21 12.986 1.988 -5.855 1.00 51.03 H new ATOM 0 HG21 THR A 21 11.899 3.204 -4.147 1.00 24.45 H new ATOM 0 HG22 THR A 21 10.586 4.304 -4.629 1.00 24.45 H new ATOM 0 HG23 THR A 21 10.345 2.542 -4.705 1.00 24.45 H new ATOM 327 N THR A 22 9.600 1.273 -7.584 1.00 23.22 N ATOM 328 CA THR A 22 8.753 0.131 -7.283 1.00 50.22 C ATOM 329 C THR A 22 9.617 -0.876 -6.526 1.00 20.23 C ATOM 330 O THR A 22 10.563 -1.435 -7.091 1.00 3.15 O ATOM 331 CB THR A 22 8.154 -0.503 -8.588 1.00 40.10 C ATOM 332 OG1 THR A 22 7.883 0.532 -9.559 1.00 62.22 O ATOM 333 CG2 THR A 22 6.843 -1.228 -8.292 1.00 3.43 C ATOM 0 H THR A 22 10.412 1.041 -8.156 1.00 23.22 H new ATOM 0 HA THR A 22 7.900 0.440 -6.679 1.00 50.22 H new ATOM 0 HB THR A 22 8.885 -1.213 -8.976 1.00 40.10 H new ATOM 0 HG1 THR A 22 7.511 0.129 -10.371 1.00 62.22 H new ATOM 0 HG21 THR A 22 6.449 -1.658 -9.213 1.00 3.43 H new ATOM 0 HG22 THR A 22 7.022 -2.023 -7.568 1.00 3.43 H new ATOM 0 HG23 THR A 22 6.121 -0.521 -7.884 1.00 3.43 H new ATOM 341 N TYR A 23 9.303 -1.086 -5.246 1.00 54.20 N ATOM 342 CA TYR A 23 10.104 -1.947 -4.364 1.00 11.20 C ATOM 343 C TYR A 23 9.380 -3.268 -4.138 1.00 11.34 C ATOM 344 O TYR A 23 8.144 -3.300 -4.041 1.00 74.10 O ATOM 345 CB TYR A 23 10.450 -1.232 -3.016 1.00 61.24 C ATOM 346 CG TYR A 23 9.306 -0.442 -2.335 1.00 34.14 C ATOM 347 CD1 TYR A 23 9.093 0.906 -2.642 1.00 65.41 C ATOM 348 CD2 TYR A 23 8.475 -1.024 -1.366 1.00 74.42 C ATOM 349 CE1 TYR A 23 8.099 1.639 -2.022 1.00 61.42 C ATOM 350 CE2 TYR A 23 7.482 -0.287 -0.739 1.00 71.10 C ATOM 351 CZ TYR A 23 7.299 1.043 -1.069 1.00 65.04 C ATOM 352 OH TYR A 23 6.311 1.784 -0.447 1.00 52.41 O ATOM 0 H TYR A 23 8.492 -0.668 -4.791 1.00 54.20 H new ATOM 0 HA TYR A 23 11.056 -2.156 -4.852 1.00 11.20 H new ATOM 0 HB2 TYR A 23 10.809 -1.985 -2.314 1.00 61.24 H new ATOM 0 HB3 TYR A 23 11.277 -0.545 -3.197 1.00 61.24 H new ATOM 0 HD1 TYR A 23 9.719 1.385 -3.380 1.00 65.41 H new ATOM 0 HD2 TYR A 23 8.611 -2.063 -1.104 1.00 74.42 H new ATOM 0 HE1 TYR A 23 7.949 2.676 -2.283 1.00 61.42 H new ATOM 0 HE2 TYR A 23 6.853 -0.751 0.006 1.00 71.10 H new ATOM 0 HH TYR A 23 5.597 1.981 -1.089 1.00 52.41 H new ATOM 362 N ASP A 24 10.174 -4.352 -4.077 1.00 72.43 N ATOM 363 CA ASP A 24 9.672 -5.726 -3.985 1.00 65.13 C ATOM 364 C ASP A 24 9.430 -6.113 -2.525 1.00 21.33 C ATOM 365 O ASP A 24 10.208 -5.757 -1.626 1.00 22.30 O ATOM 366 CB ASP A 24 10.664 -6.728 -4.635 1.00 51.22 C ATOM 367 CG ASP A 24 10.873 -6.470 -6.138 1.00 42.23 C ATOM 368 OD1 ASP A 24 9.949 -6.748 -6.928 1.00 4.44 O ATOM 369 OD2 ASP A 24 11.965 -6.005 -6.538 1.00 42.12 O ATOM 0 H ASP A 24 11.192 -4.293 -4.091 1.00 72.43 H new ATOM 0 HA ASP A 24 8.728 -5.771 -4.528 1.00 65.13 H new ATOM 0 HB2 ASP A 24 11.624 -6.665 -4.123 1.00 51.22 H new ATOM 0 HB3 ASP A 24 10.293 -7.743 -4.493 1.00 51.22 H new ATOM 374 N LEU A 25 8.331 -6.829 -2.318 1.00 44.13 N ATOM 375 CA LEU A 25 7.942 -7.398 -1.024 1.00 61.53 C ATOM 376 C LEU A 25 7.095 -8.657 -1.273 1.00 14.22 C ATOM 377 O LEU A 25 6.606 -8.868 -2.389 1.00 23.34 O ATOM 378 CB LEU A 25 7.184 -6.371 -0.123 1.00 15.31 C ATOM 379 CG LEU A 25 5.898 -5.700 -0.708 1.00 45.02 C ATOM 380 CD1 LEU A 25 5.024 -5.077 0.396 1.00 14.32 C ATOM 381 CD2 LEU A 25 6.241 -4.634 -1.769 1.00 74.05 C ATOM 0 H LEU A 25 7.665 -7.038 -3.062 1.00 44.13 H new ATOM 0 HA LEU A 25 8.846 -7.664 -0.475 1.00 61.53 H new ATOM 0 HB2 LEU A 25 6.907 -6.877 0.802 1.00 15.31 H new ATOM 0 HB3 LEU A 25 7.884 -5.579 0.144 1.00 15.31 H new ATOM 0 HG LEU A 25 5.329 -6.495 -1.189 1.00 45.02 H new ATOM 0 HD11 LEU A 25 4.141 -4.622 -0.053 1.00 14.32 H new ATOM 0 HD12 LEU A 25 4.716 -5.853 1.097 1.00 14.32 H new ATOM 0 HD13 LEU A 25 5.596 -4.315 0.926 1.00 14.32 H new ATOM 0 HD21 LEU A 25 5.321 -4.191 -2.151 1.00 74.05 H new ATOM 0 HD22 LEU A 25 6.857 -3.857 -1.318 1.00 74.05 H new ATOM 0 HD23 LEU A 25 6.787 -5.100 -2.589 1.00 74.05 H new ATOM 393 N TYR A 26 6.966 -9.515 -0.246 1.00 45.24 N ATOM 394 CA TYR A 26 6.304 -10.834 -0.360 1.00 24.41 C ATOM 395 C TYR A 26 5.505 -11.117 0.922 1.00 71.42 C ATOM 396 O TYR A 26 5.982 -10.812 2.019 1.00 10.22 O ATOM 397 CB TYR A 26 7.370 -11.955 -0.582 1.00 15.14 C ATOM 398 CG TYR A 26 8.242 -11.792 -1.845 1.00 53.55 C ATOM 399 CD1 TYR A 26 7.861 -12.345 -3.071 1.00 14.34 C ATOM 400 CD2 TYR A 26 9.458 -11.093 -1.802 1.00 51.01 C ATOM 401 CE1 TYR A 26 8.651 -12.205 -4.196 1.00 34.05 C ATOM 402 CE2 TYR A 26 10.245 -10.947 -2.927 1.00 51.20 C ATOM 403 CZ TYR A 26 9.841 -11.509 -4.119 1.00 23.30 C ATOM 404 OH TYR A 26 10.635 -11.380 -5.239 1.00 13.22 O ATOM 0 H TYR A 26 7.318 -9.316 0.691 1.00 45.24 H new ATOM 0 HA TYR A 26 5.627 -10.822 -1.214 1.00 24.41 H new ATOM 0 HB2 TYR A 26 8.024 -11.990 0.289 1.00 15.14 H new ATOM 0 HB3 TYR A 26 6.858 -12.916 -0.635 1.00 15.14 H new ATOM 0 HD1 TYR A 26 6.932 -12.892 -3.140 1.00 14.34 H new ATOM 0 HD2 TYR A 26 9.785 -10.660 -0.868 1.00 51.01 H new ATOM 0 HE1 TYR A 26 8.338 -12.639 -5.134 1.00 34.05 H new ATOM 0 HE2 TYR A 26 11.172 -10.396 -2.873 1.00 51.20 H new ATOM 0 HH TYR A 26 11.435 -10.861 -5.015 1.00 13.22 H new ATOM 414 N PHE A 27 4.290 -11.691 0.779 1.00 53.14 N ATOM 415 CA PHE A 27 3.431 -12.057 1.930 1.00 60.33 C ATOM 416 C PHE A 27 3.158 -13.567 1.933 1.00 23.14 C ATOM 417 O PHE A 27 3.001 -14.165 0.876 1.00 32.12 O ATOM 418 CB PHE A 27 2.030 -11.361 1.898 1.00 42.23 C ATOM 419 CG PHE A 27 1.984 -9.893 1.488 1.00 73.31 C ATOM 420 CD1 PHE A 27 2.816 -8.951 2.080 1.00 4.30 C ATOM 421 CD2 PHE A 27 1.066 -9.457 0.521 1.00 32.04 C ATOM 422 CE1 PHE A 27 2.743 -7.627 1.708 1.00 50.34 C ATOM 423 CE2 PHE A 27 0.996 -8.135 0.156 1.00 62.43 C ATOM 424 CZ PHE A 27 1.834 -7.224 0.749 1.00 33.21 C ATOM 0 H PHE A 27 3.879 -11.912 -0.128 1.00 53.14 H new ATOM 0 HA PHE A 27 3.980 -11.732 2.814 1.00 60.33 H new ATOM 0 HB2 PHE A 27 1.391 -11.921 1.215 1.00 42.23 H new ATOM 0 HB3 PHE A 27 1.588 -11.447 2.891 1.00 42.23 H new ATOM 0 HD1 PHE A 27 3.524 -9.259 2.836 1.00 4.30 H new ATOM 0 HD2 PHE A 27 0.404 -10.172 0.056 1.00 32.04 H new ATOM 0 HE1 PHE A 27 3.398 -6.902 2.167 1.00 50.34 H new ATOM 0 HE2 PHE A 27 0.286 -7.814 -0.592 1.00 62.43 H new ATOM 0 HZ PHE A 27 1.782 -6.184 0.464 1.00 33.21 H new ATOM 434 N SER A 28 3.060 -14.142 3.128 1.00 64.14 N ATOM 435 CA SER A 28 2.406 -15.447 3.355 1.00 23.02 C ATOM 436 C SER A 28 0.948 -15.207 3.843 1.00 2.21 C ATOM 437 O SER A 28 0.205 -16.157 4.071 1.00 53.41 O ATOM 438 CB SER A 28 3.221 -16.282 4.379 1.00 44.44 C ATOM 439 OG SER A 28 2.751 -17.617 4.464 1.00 31.24 O ATOM 0 H SER A 28 3.432 -13.720 3.979 1.00 64.14 H new ATOM 0 HA SER A 28 2.371 -16.014 2.425 1.00 23.02 H new ATOM 0 HB2 SER A 28 4.272 -16.285 4.091 1.00 44.44 H new ATOM 0 HB3 SER A 28 3.161 -15.812 5.361 1.00 44.44 H new ATOM 0 HG SER A 28 1.781 -17.632 4.323 1.00 31.24 H new ATOM 445 N LYS A 29 0.587 -13.894 3.993 1.00 24.11 N ATOM 446 CA LYS A 29 -0.755 -13.392 4.377 1.00 10.24 C ATOM 447 C LYS A 29 -1.095 -13.729 5.837 1.00 14.10 C ATOM 448 O LYS A 29 -2.180 -14.223 6.158 1.00 22.21 O ATOM 449 CB LYS A 29 -1.858 -13.821 3.349 1.00 41.23 C ATOM 450 CG LYS A 29 -1.680 -13.279 1.890 1.00 43.31 C ATOM 451 CD LYS A 29 -2.266 -11.853 1.614 1.00 2.44 C ATOM 452 CE LYS A 29 -1.619 -10.727 2.437 1.00 42.01 C ATOM 453 NZ LYS A 29 -2.051 -9.366 1.997 1.00 55.01 N ATOM 0 H LYS A 29 1.253 -13.137 3.842 1.00 24.11 H new ATOM 0 HA LYS A 29 -0.729 -12.303 4.330 1.00 10.24 H new ATOM 0 HB2 LYS A 29 -1.888 -14.910 3.310 1.00 41.23 H new ATOM 0 HB3 LYS A 29 -2.826 -13.489 3.724 1.00 41.23 H new ATOM 0 HG2 LYS A 29 -0.616 -13.265 1.656 1.00 43.31 H new ATOM 0 HG3 LYS A 29 -2.149 -13.983 1.202 1.00 43.31 H new ATOM 0 HD2 LYS A 29 -2.149 -11.625 0.555 1.00 2.44 H new ATOM 0 HD3 LYS A 29 -3.336 -11.868 1.820 1.00 2.44 H new ATOM 0 HE2 LYS A 29 -1.872 -10.861 3.489 1.00 42.01 H new ATOM 0 HE3 LYS A 29 -0.535 -10.802 2.358 1.00 42.01 H new ATOM 0 HZ1 LYS A 29 -1.280 -8.687 2.161 1.00 55.01 H new ATOM 0 HZ2 LYS A 29 -2.285 -9.387 0.984 1.00 55.01 H new ATOM 0 HZ3 LYS A 29 -2.889 -9.075 2.540 1.00 55.01 H new ATOM 467 N ALA A 30 -0.138 -13.375 6.711 1.00 60.35 N ATOM 468 CA ALA A 30 -0.212 -13.576 8.164 1.00 55.00 C ATOM 469 C ALA A 30 0.462 -12.366 8.883 1.00 65.12 C ATOM 470 O ALA A 30 0.202 -11.213 8.506 1.00 41.14 O ATOM 471 CB ALA A 30 0.434 -14.934 8.500 1.00 52.55 C ATOM 0 H ALA A 30 0.731 -12.929 6.416 1.00 60.35 H new ATOM 0 HA ALA A 30 -1.242 -13.611 8.519 1.00 55.00 H new ATOM 0 HB1 ALA A 30 0.389 -15.102 9.576 1.00 52.55 H new ATOM 0 HB2 ALA A 30 -0.104 -15.730 7.986 1.00 52.55 H new ATOM 0 HB3 ALA A 30 1.475 -14.932 8.176 1.00 52.55 H new ATOM 477 N GLU A 31 1.303 -12.629 9.914 1.00 40.21 N ATOM 478 CA GLU A 31 1.978 -11.583 10.720 1.00 24.42 C ATOM 479 C GLU A 31 2.972 -10.761 9.871 1.00 33.34 C ATOM 480 O GLU A 31 3.071 -9.536 10.039 1.00 2.34 O ATOM 481 CB GLU A 31 2.725 -12.208 11.943 1.00 51.42 C ATOM 482 CG GLU A 31 1.825 -12.763 13.078 1.00 33.00 C ATOM 483 CD GLU A 31 0.924 -13.946 12.683 1.00 60.45 C ATOM 484 OE1 GLU A 31 1.397 -14.862 11.984 1.00 65.24 O ATOM 485 OE2 GLU A 31 -0.265 -13.964 13.055 1.00 52.41 O ATOM 0 H GLU A 31 1.533 -13.578 10.210 1.00 40.21 H new ATOM 0 HA GLU A 31 1.199 -10.913 11.084 1.00 24.42 H new ATOM 0 HB2 GLU A 31 3.360 -13.017 11.581 1.00 51.42 H new ATOM 0 HB3 GLU A 31 3.384 -11.450 12.367 1.00 51.42 H new ATOM 0 HG2 GLU A 31 2.462 -13.074 13.906 1.00 33.00 H new ATOM 0 HG3 GLU A 31 1.194 -11.955 13.447 1.00 33.00 H new ATOM 492 N GLU A 32 3.694 -11.441 8.947 1.00 20.14 N ATOM 493 CA GLU A 32 4.712 -10.791 8.091 1.00 45.12 C ATOM 494 C GLU A 32 4.046 -9.796 7.124 1.00 50.31 C ATOM 495 O GLU A 32 4.647 -8.798 6.759 1.00 4.11 O ATOM 496 CB GLU A 32 5.590 -11.840 7.321 1.00 24.24 C ATOM 497 CG GLU A 32 4.972 -12.504 6.065 1.00 65.05 C ATOM 498 CD GLU A 32 3.602 -13.159 6.298 1.00 53.51 C ATOM 499 OE1 GLU A 32 3.514 -14.108 7.092 1.00 52.32 O ATOM 500 OE2 GLU A 32 2.609 -12.724 5.680 1.00 50.53 O ATOM 0 H GLU A 32 3.588 -12.441 8.777 1.00 20.14 H new ATOM 0 HA GLU A 32 5.388 -10.236 8.742 1.00 45.12 H new ATOM 0 HB2 GLU A 32 6.516 -11.349 7.021 1.00 24.24 H new ATOM 0 HB3 GLU A 32 5.861 -12.631 8.021 1.00 24.24 H new ATOM 0 HG2 GLU A 32 4.872 -11.751 5.284 1.00 65.05 H new ATOM 0 HG3 GLU A 32 5.663 -13.260 5.692 1.00 65.05 H new ATOM 507 N ALA A 33 2.777 -10.078 6.754 1.00 62.23 N ATOM 508 CA ALA A 33 1.965 -9.198 5.901 1.00 25.33 C ATOM 509 C ALA A 33 1.808 -7.819 6.561 1.00 12.52 C ATOM 510 O ALA A 33 1.973 -6.789 5.913 1.00 1.41 O ATOM 511 CB ALA A 33 0.597 -9.849 5.623 1.00 21.41 C ATOM 0 H ALA A 33 2.290 -10.927 7.043 1.00 62.23 H new ATOM 0 HA ALA A 33 2.470 -9.055 4.945 1.00 25.33 H new ATOM 0 HB1 ALA A 33 0.002 -9.190 4.990 1.00 21.41 H new ATOM 0 HB2 ALA A 33 0.744 -10.803 5.116 1.00 21.41 H new ATOM 0 HB3 ALA A 33 0.075 -10.016 6.565 1.00 21.41 H new ATOM 517 N LYS A 34 1.552 -7.838 7.884 1.00 53.44 N ATOM 518 CA LYS A 34 1.438 -6.625 8.716 1.00 71.20 C ATOM 519 C LYS A 34 2.800 -5.915 8.876 1.00 54.11 C ATOM 520 O LYS A 34 2.853 -4.698 9.046 1.00 14.05 O ATOM 521 CB LYS A 34 0.862 -6.987 10.108 1.00 11.03 C ATOM 522 CG LYS A 34 -0.532 -7.650 10.069 1.00 44.35 C ATOM 523 CD LYS A 34 -1.077 -7.944 11.483 1.00 34.12 C ATOM 524 CE LYS A 34 -2.477 -8.572 11.473 1.00 32.21 C ATOM 525 NZ LYS A 34 -2.998 -8.759 12.856 1.00 40.42 N ATOM 0 H LYS A 34 1.418 -8.702 8.409 1.00 53.44 H new ATOM 0 HA LYS A 34 0.760 -5.937 8.210 1.00 71.20 H new ATOM 0 HB2 LYS A 34 1.557 -7.659 10.611 1.00 11.03 H new ATOM 0 HB3 LYS A 34 0.803 -6.080 10.710 1.00 11.03 H new ATOM 0 HG2 LYS A 34 -1.228 -6.998 9.541 1.00 44.35 H new ATOM 0 HG3 LYS A 34 -0.475 -8.580 9.503 1.00 44.35 H new ATOM 0 HD2 LYS A 34 -0.389 -8.614 11.998 1.00 34.12 H new ATOM 0 HD3 LYS A 34 -1.106 -7.016 12.054 1.00 34.12 H new ATOM 0 HE2 LYS A 34 -3.159 -7.936 10.908 1.00 32.21 H new ATOM 0 HE3 LYS A 34 -2.442 -9.534 10.962 1.00 32.21 H new ATOM 0 HZ1 LYS A 34 -3.946 -9.185 12.815 1.00 40.42 H new ATOM 0 HZ2 LYS A 34 -2.359 -9.386 13.386 1.00 40.42 H new ATOM 0 HZ3 LYS A 34 -3.053 -7.837 13.334 1.00 40.42 H new ATOM 539 N GLU A 35 3.889 -6.696 8.845 1.00 3.14 N ATOM 540 CA GLU A 35 5.262 -6.171 8.941 1.00 43.15 C ATOM 541 C GLU A 35 5.625 -5.371 7.665 1.00 73.54 C ATOM 542 O GLU A 35 6.180 -4.268 7.756 1.00 61.01 O ATOM 543 CB GLU A 35 6.247 -7.345 9.199 1.00 71.13 C ATOM 544 CG GLU A 35 7.746 -6.973 9.292 1.00 2.03 C ATOM 545 CD GLU A 35 8.043 -5.842 10.306 1.00 21.21 C ATOM 546 OE1 GLU A 35 7.900 -6.072 11.526 1.00 62.34 O ATOM 547 OE2 GLU A 35 8.412 -4.722 9.890 1.00 41.40 O ATOM 0 H GLU A 35 3.845 -7.711 8.753 1.00 3.14 H new ATOM 0 HA GLU A 35 5.336 -5.480 9.780 1.00 43.15 H new ATOM 0 HB2 GLU A 35 5.958 -7.836 10.128 1.00 71.13 H new ATOM 0 HB3 GLU A 35 6.125 -8.076 8.400 1.00 71.13 H new ATOM 0 HG2 GLU A 35 8.315 -7.859 9.573 1.00 2.03 H new ATOM 0 HG3 GLU A 35 8.098 -6.667 8.307 1.00 2.03 H new ATOM 554 N LEU A 36 5.271 -5.926 6.484 1.00 5.13 N ATOM 555 CA LEU A 36 5.431 -5.231 5.190 1.00 51.44 C ATOM 556 C LEU A 36 4.482 -4.016 5.088 1.00 12.11 C ATOM 557 O LEU A 36 4.814 -3.037 4.430 1.00 51.12 O ATOM 558 CB LEU A 36 5.209 -6.188 3.978 1.00 40.22 C ATOM 559 CG LEU A 36 6.406 -7.117 3.553 1.00 43.34 C ATOM 560 CD1 LEU A 36 7.744 -6.347 3.488 1.00 15.34 C ATOM 561 CD2 LEU A 36 6.522 -8.386 4.422 1.00 3.53 C ATOM 0 H LEU A 36 4.870 -6.860 6.402 1.00 5.13 H new ATOM 0 HA LEU A 36 6.461 -4.877 5.151 1.00 51.44 H new ATOM 0 HB2 LEU A 36 4.354 -6.825 4.205 1.00 40.22 H new ATOM 0 HB3 LEU A 36 4.933 -5.580 3.116 1.00 40.22 H new ATOM 0 HG LEU A 36 6.176 -7.456 2.543 1.00 43.34 H new ATOM 0 HD11 LEU A 36 8.542 -7.028 3.191 1.00 15.34 H new ATOM 0 HD12 LEU A 36 7.665 -5.541 2.759 1.00 15.34 H new ATOM 0 HD13 LEU A 36 7.971 -5.928 4.469 1.00 15.34 H new ATOM 0 HD21 LEU A 36 7.366 -8.985 4.080 1.00 3.53 H new ATOM 0 HD22 LEU A 36 6.678 -8.101 5.463 1.00 3.53 H new ATOM 0 HD23 LEU A 36 5.605 -8.969 4.339 1.00 3.53 H new ATOM 573 N LEU A 37 3.303 -4.119 5.726 1.00 13.22 N ATOM 574 CA LEU A 37 2.322 -3.009 5.837 1.00 33.40 C ATOM 575 C LEU A 37 2.974 -1.768 6.463 1.00 4.33 C ATOM 576 O LEU A 37 2.834 -0.657 5.939 1.00 10.41 O ATOM 577 CB LEU A 37 1.092 -3.507 6.663 1.00 23.02 C ATOM 578 CG LEU A 37 -0.018 -2.477 7.106 1.00 62.12 C ATOM 579 CD1 LEU A 37 -1.397 -3.171 7.192 1.00 63.55 C ATOM 580 CD2 LEU A 37 0.319 -1.809 8.474 1.00 73.13 C ATOM 0 H LEU A 37 2.996 -4.977 6.184 1.00 13.22 H new ATOM 0 HA LEU A 37 1.979 -2.713 4.846 1.00 33.40 H new ATOM 0 HB2 LEU A 37 0.600 -4.285 6.079 1.00 23.02 H new ATOM 0 HB3 LEU A 37 1.476 -3.981 7.566 1.00 23.02 H new ATOM 0 HG LEU A 37 -0.050 -1.694 6.348 1.00 62.12 H new ATOM 0 HD11 LEU A 37 -2.151 -2.446 7.499 1.00 63.55 H new ATOM 0 HD12 LEU A 37 -1.661 -3.578 6.216 1.00 63.55 H new ATOM 0 HD13 LEU A 37 -1.353 -3.979 7.922 1.00 63.55 H new ATOM 0 HD21 LEU A 37 -0.471 -1.107 8.741 1.00 73.13 H new ATOM 0 HD22 LEU A 37 0.398 -2.576 9.244 1.00 73.13 H new ATOM 0 HD23 LEU A 37 1.266 -1.276 8.395 1.00 73.13 H new ATOM 592 N LYS A 38 3.703 -2.005 7.575 1.00 30.24 N ATOM 593 CA LYS A 38 4.464 -0.975 8.301 1.00 5.22 C ATOM 594 C LYS A 38 5.510 -0.337 7.376 1.00 71.34 C ATOM 595 O LYS A 38 5.536 0.880 7.215 1.00 44.34 O ATOM 596 CB LYS A 38 5.150 -1.620 9.537 1.00 72.15 C ATOM 597 CG LYS A 38 4.163 -2.173 10.601 1.00 14.35 C ATOM 598 CD LYS A 38 4.785 -3.211 11.584 1.00 72.34 C ATOM 599 CE LYS A 38 5.972 -2.691 12.426 1.00 20.32 C ATOM 600 NZ LYS A 38 7.259 -2.652 11.671 1.00 34.31 N ATOM 0 H LYS A 38 3.778 -2.931 7.996 1.00 30.24 H new ATOM 0 HA LYS A 38 3.785 -0.191 8.637 1.00 5.22 H new ATOM 0 HB2 LYS A 38 5.793 -2.432 9.198 1.00 72.15 H new ATOM 0 HB3 LYS A 38 5.795 -0.878 10.008 1.00 72.15 H new ATOM 0 HG2 LYS A 38 3.766 -1.338 11.178 1.00 14.35 H new ATOM 0 HG3 LYS A 38 3.320 -2.637 10.089 1.00 14.35 H new ATOM 0 HD2 LYS A 38 4.005 -3.559 12.261 1.00 72.34 H new ATOM 0 HD3 LYS A 38 5.118 -4.076 11.011 1.00 72.34 H new ATOM 0 HE2 LYS A 38 5.741 -1.689 12.788 1.00 20.32 H new ATOM 0 HE3 LYS A 38 6.092 -3.327 13.303 1.00 20.32 H new ATOM 0 HZ1 LYS A 38 8.052 -2.800 12.328 1.00 34.31 H new ATOM 0 HZ2 LYS A 38 7.262 -3.402 10.951 1.00 34.31 H new ATOM 0 HZ3 LYS A 38 7.362 -1.727 11.207 1.00 34.31 H new ATOM 614 N LYS A 39 6.314 -1.200 6.731 1.00 21.23 N ATOM 615 CA LYS A 39 7.428 -0.785 5.865 1.00 74.05 C ATOM 616 C LYS A 39 6.945 0.089 4.687 1.00 64.14 C ATOM 617 O LYS A 39 7.510 1.147 4.444 1.00 22.01 O ATOM 618 CB LYS A 39 8.201 -2.033 5.367 1.00 11.24 C ATOM 619 CG LYS A 39 8.832 -2.860 6.507 1.00 73.20 C ATOM 620 CD LYS A 39 9.530 -4.138 5.998 1.00 62.13 C ATOM 621 CE LYS A 39 10.143 -4.962 7.132 1.00 21.51 C ATOM 622 NZ LYS A 39 10.784 -6.210 6.644 1.00 20.12 N ATOM 0 H LYS A 39 6.207 -2.212 6.797 1.00 21.23 H new ATOM 0 HA LYS A 39 8.106 -0.166 6.453 1.00 74.05 H new ATOM 0 HB2 LYS A 39 7.522 -2.669 4.800 1.00 11.24 H new ATOM 0 HB3 LYS A 39 8.986 -1.715 4.682 1.00 11.24 H new ATOM 0 HG2 LYS A 39 9.555 -2.243 7.040 1.00 73.20 H new ATOM 0 HG3 LYS A 39 8.058 -3.134 7.223 1.00 73.20 H new ATOM 0 HD2 LYS A 39 8.809 -4.751 5.457 1.00 62.13 H new ATOM 0 HD3 LYS A 39 10.311 -3.864 5.289 1.00 62.13 H new ATOM 0 HE2 LYS A 39 10.883 -4.358 7.657 1.00 21.51 H new ATOM 0 HE3 LYS A 39 9.367 -5.214 7.855 1.00 21.51 H new ATOM 0 HZ1 LYS A 39 11.184 -6.733 7.449 1.00 20.12 H new ATOM 0 HZ2 LYS A 39 10.074 -6.801 6.166 1.00 20.12 H new ATOM 0 HZ3 LYS A 39 11.543 -5.971 5.975 1.00 20.12 H new ATOM 636 N VAL A 40 5.864 -0.343 4.005 1.00 14.35 N ATOM 637 CA VAL A 40 5.270 0.393 2.865 1.00 53.03 C ATOM 638 C VAL A 40 4.703 1.751 3.319 1.00 3.00 C ATOM 639 O VAL A 40 4.906 2.766 2.641 1.00 64.42 O ATOM 640 CB VAL A 40 4.150 -0.466 2.158 1.00 25.22 C ATOM 641 CG1 VAL A 40 3.371 0.341 1.092 1.00 30.33 C ATOM 642 CG2 VAL A 40 4.767 -1.731 1.533 1.00 50.13 C ATOM 0 H VAL A 40 5.377 -1.211 4.227 1.00 14.35 H new ATOM 0 HA VAL A 40 6.064 0.580 2.142 1.00 53.03 H new ATOM 0 HB VAL A 40 3.431 -0.755 2.925 1.00 25.22 H new ATOM 0 HG11 VAL A 40 2.613 -0.296 0.636 1.00 30.33 H new ATOM 0 HG12 VAL A 40 2.890 1.197 1.564 1.00 30.33 H new ATOM 0 HG13 VAL A 40 4.061 0.690 0.324 1.00 30.33 H new ATOM 0 HG21 VAL A 40 3.985 -2.316 1.048 1.00 50.13 H new ATOM 0 HG22 VAL A 40 5.516 -1.444 0.795 1.00 50.13 H new ATOM 0 HG23 VAL A 40 5.237 -2.330 2.313 1.00 50.13 H new ATOM 652 N ALA A 41 4.037 1.758 4.488 1.00 23.32 N ATOM 653 CA ALA A 41 3.445 2.974 5.064 1.00 51.20 C ATOM 654 C ALA A 41 4.540 4.003 5.435 1.00 32.51 C ATOM 655 O ALA A 41 4.308 5.208 5.346 1.00 22.32 O ATOM 656 CB ALA A 41 2.589 2.624 6.289 1.00 12.31 C ATOM 0 H ALA A 41 3.896 0.923 5.056 1.00 23.32 H new ATOM 0 HA ALA A 41 2.801 3.429 4.311 1.00 51.20 H new ATOM 0 HB1 ALA A 41 2.158 3.535 6.704 1.00 12.31 H new ATOM 0 HB2 ALA A 41 1.789 1.946 5.992 1.00 12.31 H new ATOM 0 HB3 ALA A 41 3.212 2.142 7.042 1.00 12.31 H new ATOM 662 N GLU A 42 5.723 3.491 5.851 1.00 11.21 N ATOM 663 CA GLU A 42 6.920 4.302 6.179 1.00 13.34 C ATOM 664 C GLU A 42 7.612 4.838 4.908 1.00 53.25 C ATOM 665 O GLU A 42 7.933 6.028 4.835 1.00 14.54 O ATOM 666 CB GLU A 42 7.913 3.457 7.034 1.00 20.12 C ATOM 667 CG GLU A 42 7.390 3.134 8.443 1.00 25.13 C ATOM 668 CD GLU A 42 8.288 2.163 9.214 1.00 23.44 C ATOM 669 OE1 GLU A 42 8.194 0.942 8.965 1.00 3.52 O ATOM 670 OE2 GLU A 42 9.096 2.610 10.056 1.00 51.43 O ATOM 0 H GLU A 42 5.875 2.489 5.970 1.00 11.21 H new ATOM 0 HA GLU A 42 6.596 5.167 6.758 1.00 13.34 H new ATOM 0 HB2 GLU A 42 8.126 2.524 6.512 1.00 20.12 H new ATOM 0 HB3 GLU A 42 8.856 3.997 7.120 1.00 20.12 H new ATOM 0 HG2 GLU A 42 7.297 4.060 9.010 1.00 25.13 H new ATOM 0 HG3 GLU A 42 6.390 2.708 8.363 1.00 25.13 H new ATOM 677 N LYS A 43 7.802 3.964 3.894 1.00 43.14 N ATOM 678 CA LYS A 43 8.598 4.303 2.687 1.00 13.12 C ATOM 679 C LYS A 43 7.813 5.242 1.751 1.00 51.01 C ATOM 680 O LYS A 43 8.409 6.078 1.070 1.00 43.01 O ATOM 681 CB LYS A 43 9.085 3.024 1.928 1.00 23.02 C ATOM 682 CG LYS A 43 9.952 2.056 2.783 1.00 63.34 C ATOM 683 CD LYS A 43 11.118 2.752 3.536 1.00 52.23 C ATOM 684 CE LYS A 43 11.868 1.802 4.491 1.00 74.32 C ATOM 685 NZ LYS A 43 12.886 2.529 5.307 1.00 63.31 N ATOM 0 H LYS A 43 7.417 3.020 3.885 1.00 43.14 H new ATOM 0 HA LYS A 43 9.489 4.832 3.026 1.00 13.12 H new ATOM 0 HB2 LYS A 43 8.214 2.482 1.560 1.00 23.02 H new ATOM 0 HB3 LYS A 43 9.661 3.332 1.055 1.00 23.02 H new ATOM 0 HG2 LYS A 43 9.311 1.556 3.509 1.00 63.34 H new ATOM 0 HG3 LYS A 43 10.362 1.283 2.134 1.00 63.34 H new ATOM 0 HD2 LYS A 43 11.822 3.158 2.809 1.00 52.23 H new ATOM 0 HD3 LYS A 43 10.725 3.595 4.105 1.00 52.23 H new ATOM 0 HE2 LYS A 43 11.153 1.313 5.153 1.00 74.32 H new ATOM 0 HE3 LYS A 43 12.357 1.017 3.914 1.00 74.32 H new ATOM 0 HZ1 LYS A 43 13.370 1.858 5.937 1.00 63.31 H new ATOM 0 HZ2 LYS A 43 13.582 2.975 4.676 1.00 63.31 H new ATOM 0 HZ3 LYS A 43 12.416 3.261 5.877 1.00 63.31 H new ATOM 699 N ALA A 44 6.475 5.108 1.738 1.00 4.03 N ATOM 700 CA ALA A 44 5.583 6.029 1.015 1.00 34.45 C ATOM 701 C ALA A 44 5.531 7.388 1.741 1.00 4.32 C ATOM 702 O ALA A 44 5.462 8.439 1.097 1.00 65.43 O ATOM 703 CB ALA A 44 4.180 5.414 0.884 1.00 72.34 C ATOM 0 H ALA A 44 5.984 4.360 2.227 1.00 4.03 H new ATOM 0 HA ALA A 44 5.973 6.194 0.011 1.00 34.45 H new ATOM 0 HB1 ALA A 44 3.529 6.104 0.348 1.00 72.34 H new ATOM 0 HB2 ALA A 44 4.244 4.475 0.335 1.00 72.34 H new ATOM 0 HB3 ALA A 44 3.771 5.227 1.877 1.00 72.34 H new ATOM 709 N ALA A 45 5.607 7.333 3.095 1.00 64.30 N ATOM 710 CA ALA A 45 5.604 8.519 3.973 1.00 50.23 C ATOM 711 C ALA A 45 6.866 9.378 3.785 1.00 60.24 C ATOM 712 O ALA A 45 6.818 10.595 3.988 1.00 71.42 O ATOM 713 CB ALA A 45 5.470 8.095 5.439 1.00 73.52 C ATOM 0 H ALA A 45 5.673 6.453 3.607 1.00 64.30 H new ATOM 0 HA ALA A 45 4.745 9.129 3.693 1.00 50.23 H new ATOM 0 HB1 ALA A 45 5.469 8.980 6.075 1.00 73.52 H new ATOM 0 HB2 ALA A 45 4.537 7.549 5.576 1.00 73.52 H new ATOM 0 HB3 ALA A 45 6.309 7.454 5.710 1.00 73.52 H new ATOM 719 N ASP A 46 8.001 8.735 3.424 1.00 12.15 N ATOM 720 CA ASP A 46 9.253 9.454 3.081 1.00 12.35 C ATOM 721 C ASP A 46 9.036 10.355 1.849 1.00 14.45 C ATOM 722 O ASP A 46 9.548 11.471 1.787 1.00 2.30 O ATOM 723 CB ASP A 46 10.433 8.475 2.792 1.00 70.30 C ATOM 724 CG ASP A 46 10.969 7.756 4.045 1.00 51.04 C ATOM 725 OD1 ASP A 46 11.606 8.426 4.891 1.00 52.15 O ATOM 726 OD2 ASP A 46 10.788 6.528 4.179 1.00 62.11 O ATOM 0 H ASP A 46 8.077 7.720 3.362 1.00 12.15 H new ATOM 0 HA ASP A 46 9.515 10.061 3.948 1.00 12.35 H new ATOM 0 HB2 ASP A 46 10.104 7.728 2.069 1.00 70.30 H new ATOM 0 HB3 ASP A 46 11.248 9.031 2.328 1.00 70.30 H new ATOM 731 N LYS A 47 8.280 9.824 0.871 1.00 43.04 N ATOM 732 CA LYS A 47 7.948 10.509 -0.405 1.00 52.32 C ATOM 733 C LYS A 47 6.865 11.586 -0.197 1.00 4.10 C ATOM 734 O LYS A 47 6.814 12.576 -0.950 1.00 20.32 O ATOM 735 CB LYS A 47 7.552 9.482 -1.511 1.00 53.42 C ATOM 736 CG LYS A 47 8.756 8.721 -2.150 1.00 25.41 C ATOM 737 CD LYS A 47 9.632 7.962 -1.125 1.00 61.12 C ATOM 738 CE LYS A 47 10.776 7.165 -1.766 1.00 53.35 C ATOM 739 NZ LYS A 47 10.275 6.032 -2.597 1.00 54.31 N ATOM 0 H LYS A 47 7.873 8.891 0.940 1.00 43.04 H new ATOM 0 HA LYS A 47 8.844 11.023 -0.753 1.00 52.32 H new ATOM 0 HB2 LYS A 47 6.864 8.753 -1.082 1.00 53.42 H new ATOM 0 HB3 LYS A 47 7.011 10.006 -2.299 1.00 53.42 H new ATOM 0 HG2 LYS A 47 8.376 8.011 -2.885 1.00 25.41 H new ATOM 0 HG3 LYS A 47 9.380 9.434 -2.689 1.00 25.41 H new ATOM 0 HD2 LYS A 47 10.051 8.677 -0.417 1.00 61.12 H new ATOM 0 HD3 LYS A 47 9.001 7.281 -0.554 1.00 61.12 H new ATOM 0 HE2 LYS A 47 11.378 7.830 -2.386 1.00 53.35 H new ATOM 0 HE3 LYS A 47 11.430 6.779 -0.984 1.00 53.35 H new ATOM 0 HZ1 LYS A 47 11.064 5.396 -2.828 1.00 54.31 H new ATOM 0 HZ2 LYS A 47 9.550 5.507 -2.067 1.00 54.31 H new ATOM 0 HZ3 LYS A 47 9.860 6.403 -3.476 1.00 54.31 H new ATOM 753 N ILE A 48 5.989 11.378 0.810 1.00 25.04 N ATOM 754 CA ILE A 48 5.052 12.417 1.272 1.00 22.15 C ATOM 755 C ILE A 48 5.846 13.556 1.976 1.00 31.11 C ATOM 756 O ILE A 48 5.500 14.740 1.874 1.00 3.44 O ATOM 757 CB ILE A 48 3.954 11.852 2.258 1.00 54.40 C ATOM 758 CG1 ILE A 48 3.190 10.619 1.667 1.00 15.01 C ATOM 759 CG2 ILE A 48 2.951 12.963 2.633 1.00 14.32 C ATOM 760 CD1 ILE A 48 2.191 10.929 0.570 1.00 63.15 C ATOM 0 H ILE A 48 5.914 10.496 1.318 1.00 25.04 H new ATOM 0 HA ILE A 48 4.532 12.798 0.393 1.00 22.15 H new ATOM 0 HB ILE A 48 4.476 11.510 3.152 1.00 54.40 H new ATOM 0 HG12 ILE A 48 3.923 9.913 1.276 1.00 15.01 H new ATOM 0 HG13 ILE A 48 2.665 10.116 2.480 1.00 15.01 H new ATOM 0 HG21 ILE A 48 2.200 12.561 3.313 1.00 14.32 H new ATOM 0 HG22 ILE A 48 3.480 13.782 3.121 1.00 14.32 H new ATOM 0 HG23 ILE A 48 2.463 13.333 1.731 1.00 14.32 H new ATOM 0 HD11 ILE A 48 1.721 10.005 0.234 1.00 63.15 H new ATOM 0 HD12 ILE A 48 1.428 11.606 0.954 1.00 63.15 H new ATOM 0 HD13 ILE A 48 2.705 11.400 -0.268 1.00 63.15 H new ATOM 772 N LYS A 49 6.934 13.164 2.667 1.00 1.24 N ATOM 773 CA LYS A 49 7.849 14.087 3.370 1.00 60.11 C ATOM 774 C LYS A 49 8.669 14.919 2.356 1.00 71.24 C ATOM 775 O LYS A 49 8.992 16.079 2.631 1.00 74.10 O ATOM 776 CB LYS A 49 8.782 13.268 4.317 1.00 35.32 C ATOM 777 CG LYS A 49 9.891 14.077 5.044 1.00 52.14 C ATOM 778 CD LYS A 49 10.890 13.172 5.818 1.00 12.32 C ATOM 779 CE LYS A 49 11.651 12.184 4.902 1.00 61.30 C ATOM 780 NZ LYS A 49 12.564 11.289 5.676 1.00 43.51 N ATOM 0 H LYS A 49 7.206 12.185 2.754 1.00 1.24 H new ATOM 0 HA LYS A 49 7.267 14.786 3.970 1.00 60.11 H new ATOM 0 HB2 LYS A 49 8.164 12.779 5.070 1.00 35.32 H new ATOM 0 HB3 LYS A 49 9.258 12.480 3.734 1.00 35.32 H new ATOM 0 HG2 LYS A 49 10.439 14.672 4.313 1.00 52.14 H new ATOM 0 HG3 LYS A 49 9.427 14.776 5.740 1.00 52.14 H new ATOM 0 HD2 LYS A 49 11.610 13.801 6.341 1.00 12.32 H new ATOM 0 HD3 LYS A 49 10.347 12.609 6.578 1.00 12.32 H new ATOM 0 HE2 LYS A 49 10.934 11.578 4.348 1.00 61.30 H new ATOM 0 HE3 LYS A 49 12.230 12.744 4.167 1.00 61.30 H new ATOM 0 HZ1 LYS A 49 13.548 11.464 5.388 1.00 43.51 H new ATOM 0 HZ2 LYS A 49 12.461 11.483 6.692 1.00 43.51 H new ATOM 0 HZ3 LYS A 49 12.319 10.296 5.487 1.00 43.51 H new ATOM 794 N LYS A 50 8.989 14.315 1.184 1.00 54.51 N ATOM 795 CA LYS A 50 9.697 15.019 0.079 1.00 24.14 C ATOM 796 C LYS A 50 8.876 16.229 -0.408 1.00 2.14 C ATOM 797 O LYS A 50 9.428 17.305 -0.672 1.00 22.21 O ATOM 798 CB LYS A 50 9.966 14.062 -1.123 1.00 75.55 C ATOM 799 CG LYS A 50 10.771 12.790 -0.788 1.00 4.35 C ATOM 800 CD LYS A 50 12.147 13.076 -0.150 1.00 44.51 C ATOM 801 CE LYS A 50 12.903 11.794 0.238 1.00 44.42 C ATOM 802 NZ LYS A 50 14.263 12.099 0.770 1.00 2.53 N ATOM 0 H LYS A 50 8.769 13.341 0.977 1.00 54.51 H new ATOM 0 HA LYS A 50 10.653 15.364 0.473 1.00 24.14 H new ATOM 0 HB2 LYS A 50 9.008 13.764 -1.549 1.00 75.55 H new ATOM 0 HB3 LYS A 50 10.500 14.617 -1.895 1.00 75.55 H new ATOM 0 HG2 LYS A 50 10.187 12.170 -0.108 1.00 4.35 H new ATOM 0 HG3 LYS A 50 10.917 12.212 -1.701 1.00 4.35 H new ATOM 0 HD2 LYS A 50 12.753 13.652 -0.849 1.00 44.51 H new ATOM 0 HD3 LYS A 50 12.009 13.694 0.737 1.00 44.51 H new ATOM 0 HE2 LYS A 50 12.332 11.247 0.988 1.00 44.42 H new ATOM 0 HE3 LYS A 50 12.989 11.144 -0.633 1.00 44.42 H new ATOM 0 HZ1 LYS A 50 14.744 11.212 1.022 1.00 2.53 H new ATOM 0 HZ2 LYS A 50 14.815 12.599 0.045 1.00 2.53 H new ATOM 0 HZ3 LYS A 50 14.179 12.699 1.615 1.00 2.53 H new ATOM 816 N GLN A 51 7.553 16.014 -0.493 1.00 54.22 N ATOM 817 CA GLN A 51 6.582 17.008 -0.968 1.00 64.43 C ATOM 818 C GLN A 51 5.173 16.436 -0.783 1.00 54.32 C ATOM 819 O GLN A 51 4.308 17.052 -0.157 1.00 24.31 O ATOM 820 CB GLN A 51 6.836 17.339 -2.467 1.00 52.12 C ATOM 821 CG GLN A 51 5.802 18.274 -3.116 1.00 50.24 C ATOM 822 CD GLN A 51 6.113 18.544 -4.584 1.00 11.04 C ATOM 823 OE1 GLN A 51 6.824 19.495 -4.920 1.00 74.12 O ATOM 824 NE2 GLN A 51 5.582 17.717 -5.471 1.00 60.10 N ATOM 0 H GLN A 51 7.123 15.128 -0.228 1.00 54.22 H new ATOM 0 HA GLN A 51 6.687 17.930 -0.396 1.00 64.43 H new ATOM 0 HB2 GLN A 51 7.822 17.794 -2.560 1.00 52.12 H new ATOM 0 HB3 GLN A 51 6.861 16.406 -3.029 1.00 52.12 H new ATOM 0 HG2 GLN A 51 4.810 17.830 -3.032 1.00 50.24 H new ATOM 0 HG3 GLN A 51 5.776 19.218 -2.572 1.00 50.24 H new ATOM 0 HE21 GLN A 51 4.999 16.941 -5.159 1.00 60.10 H new ATOM 0 HE22 GLN A 51 5.756 17.856 -6.466 1.00 60.10 H new ATOM 833 N GLY A 52 4.977 15.230 -1.331 1.00 61.15 N ATOM 834 CA GLY A 52 3.676 14.590 -1.369 1.00 10.10 C ATOM 835 C GLY A 52 3.608 13.565 -2.483 1.00 13.24 C ATOM 836 O GLY A 52 3.591 13.942 -3.661 1.00 50.21 O ATOM 0 H GLY A 52 5.722 14.679 -1.758 1.00 61.15 H new ATOM 0 HA2 GLY A 52 3.476 14.107 -0.413 1.00 10.10 H new ATOM 0 HA3 GLY A 52 2.901 15.342 -1.514 1.00 10.10 H new ATOM 840 N CYS A 53 3.660 12.267 -2.127 1.00 72.11 N ATOM 841 CA CYS A 53 3.365 11.178 -3.067 1.00 74.55 C ATOM 842 C CYS A 53 1.858 11.221 -3.385 1.00 14.21 C ATOM 843 O CYS A 53 1.037 10.631 -2.668 1.00 10.12 O ATOM 844 CB CYS A 53 3.805 9.810 -2.492 1.00 71.30 C ATOM 845 SG CYS A 53 3.625 8.432 -3.644 1.00 14.13 S ATOM 0 H CYS A 53 3.905 11.950 -1.189 1.00 72.11 H new ATOM 0 HA CYS A 53 3.930 11.309 -3.990 1.00 74.55 H new ATOM 0 HB2 CYS A 53 4.848 9.877 -2.183 1.00 71.30 H new ATOM 0 HB3 CYS A 53 3.220 9.600 -1.597 1.00 71.30 H new ATOM 0 HG CYS A 53 2.540 8.589 -4.342 1.00 14.13 H new ATOM 851 N LYS A 54 1.519 11.993 -4.447 1.00 20.40 N ATOM 852 CA LYS A 54 0.125 12.347 -4.795 1.00 42.23 C ATOM 853 C LYS A 54 -0.721 11.132 -5.216 1.00 25.15 C ATOM 854 O LYS A 54 -1.945 11.232 -5.317 1.00 25.41 O ATOM 855 CB LYS A 54 0.081 13.436 -5.899 1.00 35.23 C ATOM 856 CG LYS A 54 0.671 13.003 -7.261 1.00 44.44 C ATOM 857 CD LYS A 54 0.426 14.058 -8.369 1.00 63.23 C ATOM 858 CE LYS A 54 1.051 13.654 -9.714 1.00 21.45 C ATOM 859 NZ LYS A 54 2.539 13.595 -9.653 1.00 53.31 N ATOM 0 H LYS A 54 2.209 12.388 -5.087 1.00 20.40 H new ATOM 0 HA LYS A 54 -0.318 12.745 -3.882 1.00 42.23 H new ATOM 0 HB2 LYS A 54 -0.955 13.741 -6.048 1.00 35.23 H new ATOM 0 HB3 LYS A 54 0.624 14.313 -5.546 1.00 35.23 H new ATOM 0 HG2 LYS A 54 1.742 12.834 -7.153 1.00 44.44 H new ATOM 0 HG3 LYS A 54 0.227 12.054 -7.562 1.00 44.44 H new ATOM 0 HD2 LYS A 54 -0.647 14.202 -8.499 1.00 63.23 H new ATOM 0 HD3 LYS A 54 0.840 15.015 -8.053 1.00 63.23 H new ATOM 0 HE2 LYS A 54 0.663 12.680 -10.014 1.00 21.45 H new ATOM 0 HE3 LYS A 54 0.749 14.367 -10.481 1.00 21.45 H new ATOM 0 HZ1 LYS A 54 2.941 14.358 -10.234 1.00 53.31 H new ATOM 0 HZ2 LYS A 54 2.851 13.710 -8.668 1.00 53.31 H new ATOM 0 HZ3 LYS A 54 2.865 12.676 -10.014 1.00 53.31 H new ATOM 873 N ARG A 55 -0.051 10.008 -5.463 1.00 20.43 N ATOM 874 CA ARG A 55 -0.672 8.745 -5.841 1.00 53.30 C ATOM 875 C ARG A 55 0.286 7.627 -5.421 1.00 22.02 C ATOM 876 O ARG A 55 1.431 7.604 -5.848 1.00 24.01 O ATOM 877 CB ARG A 55 -0.915 8.725 -7.372 1.00 33.11 C ATOM 878 CG ARG A 55 -1.555 7.432 -7.924 1.00 3.00 C ATOM 879 CD ARG A 55 -1.595 7.428 -9.460 1.00 33.54 C ATOM 880 NE ARG A 55 -2.419 8.529 -10.006 1.00 4.31 N ATOM 881 CZ ARG A 55 -2.329 9.012 -11.263 1.00 63.42 C ATOM 882 NH1 ARG A 55 -1.435 8.531 -12.124 1.00 65.45 N ATOM 883 NH2 ARG A 55 -3.142 9.987 -11.647 1.00 52.43 N ATOM 0 H ARG A 55 0.966 9.952 -5.404 1.00 20.43 H new ATOM 0 HA ARG A 55 -1.637 8.612 -5.352 1.00 53.30 H new ATOM 0 HB2 ARG A 55 -1.556 9.567 -7.632 1.00 33.11 H new ATOM 0 HB3 ARG A 55 0.038 8.882 -7.876 1.00 33.11 H new ATOM 0 HG2 ARG A 55 -0.991 6.568 -7.573 1.00 3.00 H new ATOM 0 HG3 ARG A 55 -2.568 7.332 -7.533 1.00 3.00 H new ATOM 0 HD2 ARG A 55 -0.580 7.511 -9.847 1.00 33.54 H new ATOM 0 HD3 ARG A 55 -1.992 6.474 -9.808 1.00 33.54 H new ATOM 0 HE ARG A 55 -3.107 8.955 -9.385 1.00 4.31 H new ATOM 0 HH11 ARG A 55 -0.802 7.784 -11.838 1.00 65.45 H new ATOM 0 HH12 ARG A 55 -1.383 8.910 -13.070 1.00 65.45 H new ATOM 0 HH21 ARG A 55 -3.828 10.366 -10.994 1.00 52.43 H new ATOM 0 HH22 ARG A 55 -3.081 10.358 -12.595 1.00 52.43 H new ATOM 897 N VAL A 56 -0.160 6.739 -4.546 1.00 71.33 N ATOM 898 CA VAL A 56 0.627 5.575 -4.134 1.00 23.53 C ATOM 899 C VAL A 56 -0.078 4.355 -4.728 1.00 5.02 C ATOM 900 O VAL A 56 -1.208 4.066 -4.365 1.00 20.53 O ATOM 901 CB VAL A 56 0.690 5.457 -2.556 1.00 11.22 C ATOM 902 CG1 VAL A 56 1.549 4.256 -2.100 1.00 12.33 C ATOM 903 CG2 VAL A 56 1.176 6.774 -1.901 1.00 1.35 C ATOM 0 H VAL A 56 -1.075 6.800 -4.099 1.00 71.33 H new ATOM 0 HA VAL A 56 1.656 5.658 -4.484 1.00 23.53 H new ATOM 0 HB VAL A 56 -0.329 5.276 -2.214 1.00 11.22 H new ATOM 0 HG11 VAL A 56 1.565 4.213 -1.011 1.00 12.33 H new ATOM 0 HG12 VAL A 56 1.123 3.333 -2.494 1.00 12.33 H new ATOM 0 HG13 VAL A 56 2.566 4.374 -2.473 1.00 12.33 H new ATOM 0 HG21 VAL A 56 1.206 6.653 -0.818 1.00 1.35 H new ATOM 0 HG22 VAL A 56 2.174 7.015 -2.266 1.00 1.35 H new ATOM 0 HG23 VAL A 56 0.491 7.582 -2.157 1.00 1.35 H new ATOM 913 N LYS A 57 0.592 3.639 -5.624 1.00 52.30 N ATOM 914 CA LYS A 57 0.002 2.484 -6.309 1.00 50.55 C ATOM 915 C LYS A 57 0.387 1.204 -5.572 1.00 70.41 C ATOM 916 O LYS A 57 1.565 0.936 -5.331 1.00 24.33 O ATOM 917 CB LYS A 57 0.484 2.409 -7.792 1.00 75.31 C ATOM 918 CG LYS A 57 -0.232 3.376 -8.755 1.00 31.30 C ATOM 919 CD LYS A 57 0.271 3.230 -10.217 1.00 23.34 C ATOM 920 CE LYS A 57 -0.685 3.859 -11.240 1.00 53.32 C ATOM 921 NZ LYS A 57 -2.015 3.189 -11.210 1.00 63.42 N ATOM 0 H LYS A 57 1.554 3.837 -5.898 1.00 52.30 H new ATOM 0 HA LYS A 57 -1.082 2.596 -6.309 1.00 50.55 H new ATOM 0 HB2 LYS A 57 1.554 2.615 -7.822 1.00 75.31 H new ATOM 0 HB3 LYS A 57 0.345 1.390 -8.153 1.00 75.31 H new ATOM 0 HG2 LYS A 57 -1.305 3.190 -8.722 1.00 31.30 H new ATOM 0 HG3 LYS A 57 -0.076 4.401 -8.420 1.00 31.30 H new ATOM 0 HD2 LYS A 57 1.252 3.697 -10.308 1.00 23.34 H new ATOM 0 HD3 LYS A 57 0.399 2.173 -10.449 1.00 23.34 H new ATOM 0 HE2 LYS A 57 -0.804 4.921 -11.027 1.00 53.32 H new ATOM 0 HE3 LYS A 57 -0.257 3.781 -12.239 1.00 53.32 H new ATOM 0 HZ1 LYS A 57 -2.234 2.809 -12.153 1.00 63.42 H new ATOM 0 HZ2 LYS A 57 -1.997 2.411 -10.520 1.00 63.42 H new ATOM 0 HZ3 LYS A 57 -2.745 3.878 -10.936 1.00 63.42 H new ATOM 935 N ILE A 58 -0.632 0.442 -5.190 1.00 12.22 N ATOM 936 CA ILE A 58 -0.466 -0.901 -4.650 1.00 72.51 C ATOM 937 C ILE A 58 -0.826 -1.884 -5.771 1.00 11.32 C ATOM 938 O ILE A 58 -1.982 -1.969 -6.187 1.00 41.22 O ATOM 939 CB ILE A 58 -1.375 -1.095 -3.370 1.00 20.34 C ATOM 940 CG1 ILE A 58 -0.899 -0.107 -2.244 1.00 52.25 C ATOM 941 CG2 ILE A 58 -1.390 -2.569 -2.887 1.00 52.23 C ATOM 942 CD1 ILE A 58 -1.703 -0.126 -0.955 1.00 15.04 C ATOM 0 H ILE A 58 -1.605 0.743 -5.247 1.00 12.22 H new ATOM 0 HA ILE A 58 0.560 -1.077 -4.325 1.00 72.51 H new ATOM 0 HB ILE A 58 -2.407 -0.858 -3.630 1.00 20.34 H new ATOM 0 HG12 ILE A 58 0.140 -0.335 -2.004 1.00 52.25 H new ATOM 0 HG13 ILE A 58 -0.918 0.906 -2.646 1.00 52.25 H new ATOM 0 HG21 ILE A 58 -2.026 -2.657 -2.006 1.00 52.23 H new ATOM 0 HG22 ILE A 58 -1.778 -3.208 -3.680 1.00 52.23 H new ATOM 0 HG23 ILE A 58 -0.376 -2.880 -2.635 1.00 52.23 H new ATOM 0 HD11 ILE A 58 -1.283 0.595 -0.254 1.00 15.04 H new ATOM 0 HD12 ILE A 58 -2.739 0.137 -1.169 1.00 15.04 H new ATOM 0 HD13 ILE A 58 -1.665 -1.123 -0.517 1.00 15.04 H new ATOM 954 N ARG A 59 0.194 -2.587 -6.279 1.00 51.54 N ATOM 955 CA ARG A 59 0.046 -3.582 -7.346 1.00 54.23 C ATOM 956 C ARG A 59 0.432 -4.942 -6.775 1.00 1.22 C ATOM 957 O ARG A 59 1.476 -5.085 -6.131 1.00 4.41 O ATOM 958 CB ARG A 59 0.918 -3.220 -8.584 1.00 11.30 C ATOM 959 CG ARG A 59 0.445 -1.964 -9.341 1.00 43.15 C ATOM 960 CD ARG A 59 1.280 -1.683 -10.604 1.00 44.32 C ATOM 961 NE ARG A 59 0.664 -0.636 -11.444 1.00 22.13 N ATOM 962 CZ ARG A 59 1.332 0.243 -12.209 1.00 64.33 C ATOM 963 NH1 ARG A 59 2.662 0.251 -12.248 1.00 3.55 N ATOM 964 NH2 ARG A 59 0.654 1.100 -12.960 1.00 71.01 N ATOM 0 H ARG A 59 1.156 -2.479 -5.956 1.00 51.54 H new ATOM 0 HA ARG A 59 -0.987 -3.604 -7.693 1.00 54.23 H new ATOM 0 HB2 ARG A 59 1.947 -3.069 -8.258 1.00 11.30 H new ATOM 0 HB3 ARG A 59 0.922 -4.066 -9.272 1.00 11.30 H new ATOM 0 HG2 ARG A 59 -0.601 -2.086 -9.622 1.00 43.15 H new ATOM 0 HG3 ARG A 59 0.498 -1.102 -8.676 1.00 43.15 H new ATOM 0 HD2 ARG A 59 2.284 -1.374 -10.315 1.00 44.32 H new ATOM 0 HD3 ARG A 59 1.384 -2.600 -11.183 1.00 44.32 H new ATOM 0 HE ARG A 59 -0.354 -0.575 -11.443 1.00 22.13 H new ATOM 0 HH11 ARG A 59 3.193 -0.418 -11.691 1.00 3.55 H new ATOM 0 HH12 ARG A 59 3.151 0.927 -12.835 1.00 3.55 H new ATOM 0 HH21 ARG A 59 -0.366 1.088 -12.953 1.00 71.01 H new ATOM 0 HH22 ARG A 59 1.152 1.771 -13.544 1.00 71.01 H new ATOM 978 N PHE A 60 -0.428 -5.926 -6.995 1.00 3.40 N ATOM 979 CA PHE A 60 -0.323 -7.238 -6.361 1.00 30.34 C ATOM 980 C PHE A 60 -1.081 -8.261 -7.226 1.00 35.25 C ATOM 981 O PHE A 60 -1.914 -7.883 -8.060 1.00 34.41 O ATOM 982 CB PHE A 60 -0.899 -7.131 -4.917 1.00 73.34 C ATOM 983 CG PHE A 60 -0.864 -8.419 -4.093 1.00 41.12 C ATOM 984 CD1 PHE A 60 0.310 -9.157 -3.966 1.00 61.15 C ATOM 985 CD2 PHE A 60 -2.006 -8.891 -3.453 1.00 41.21 C ATOM 986 CE1 PHE A 60 0.338 -10.329 -3.232 1.00 44.52 C ATOM 987 CE2 PHE A 60 -1.974 -10.061 -2.722 1.00 62.32 C ATOM 988 CZ PHE A 60 -0.804 -10.779 -2.606 1.00 5.53 C ATOM 0 H PHE A 60 -1.226 -5.838 -7.624 1.00 3.40 H new ATOM 0 HA PHE A 60 0.712 -7.573 -6.284 1.00 30.34 H new ATOM 0 HB2 PHE A 60 -0.343 -6.362 -4.380 1.00 73.34 H new ATOM 0 HB3 PHE A 60 -1.932 -6.791 -4.982 1.00 73.34 H new ATOM 0 HD1 PHE A 60 1.212 -8.809 -4.448 1.00 61.15 H new ATOM 0 HD2 PHE A 60 -2.929 -8.335 -3.529 1.00 41.21 H new ATOM 0 HE1 PHE A 60 1.256 -10.892 -3.149 1.00 44.52 H new ATOM 0 HE2 PHE A 60 -2.872 -10.416 -2.238 1.00 62.32 H new ATOM 0 HZ PHE A 60 -0.782 -11.690 -2.027 1.00 5.53 H new ATOM 998 N GLU A 61 -0.759 -9.544 -7.048 1.00 12.43 N ATOM 999 CA GLU A 61 -1.386 -10.639 -7.800 1.00 20.51 C ATOM 1000 C GLU A 61 -2.634 -11.162 -7.083 1.00 34.22 C ATOM 1001 O GLU A 61 -2.677 -11.232 -5.853 1.00 23.13 O ATOM 1002 CB GLU A 61 -0.372 -11.779 -8.005 1.00 53.12 C ATOM 1003 CG GLU A 61 0.932 -11.317 -8.670 1.00 51.22 C ATOM 1004 CD GLU A 61 1.898 -12.465 -8.924 1.00 3.02 C ATOM 1005 OE1 GLU A 61 2.635 -12.844 -7.999 1.00 74.33 O ATOM 1006 OE2 GLU A 61 1.908 -13.013 -10.047 1.00 53.14 O ATOM 0 H GLU A 61 -0.056 -9.856 -6.378 1.00 12.43 H new ATOM 0 HA GLU A 61 -1.696 -10.253 -8.771 1.00 20.51 H new ATOM 0 HB2 GLU A 61 -0.140 -12.228 -7.039 1.00 53.12 H new ATOM 0 HB3 GLU A 61 -0.829 -12.557 -8.617 1.00 53.12 H new ATOM 0 HG2 GLU A 61 0.700 -10.827 -9.615 1.00 51.22 H new ATOM 0 HG3 GLU A 61 1.415 -10.574 -8.036 1.00 51.22 H new ATOM 1013 N LYS A 62 -3.651 -11.509 -7.878 1.00 10.35 N ATOM 1014 CA LYS A 62 -4.907 -12.114 -7.406 1.00 3.31 C ATOM 1015 C LYS A 62 -5.229 -13.353 -8.249 1.00 2.13 C ATOM 1016 O LYS A 62 -4.537 -13.621 -9.242 1.00 52.31 O ATOM 1017 CB LYS A 62 -6.076 -11.100 -7.506 1.00 22.21 C ATOM 1018 CG LYS A 62 -5.916 -9.816 -6.678 1.00 41.32 C ATOM 1019 CD LYS A 62 -5.736 -10.047 -5.155 1.00 55.21 C ATOM 1020 CE LYS A 62 -6.935 -10.729 -4.487 1.00 72.51 C ATOM 1021 NZ LYS A 62 -8.213 -10.014 -4.742 1.00 4.52 N ATOM 0 H LYS A 62 -3.627 -11.376 -8.889 1.00 10.35 H new ATOM 0 HA LYS A 62 -4.784 -12.401 -6.362 1.00 3.31 H new ATOM 0 HB2 LYS A 62 -6.203 -10.822 -8.552 1.00 22.21 H new ATOM 0 HB3 LYS A 62 -6.994 -11.599 -7.195 1.00 22.21 H new ATOM 0 HG2 LYS A 62 -5.054 -9.263 -7.052 1.00 41.32 H new ATOM 0 HG3 LYS A 62 -6.792 -9.186 -6.836 1.00 41.32 H new ATOM 0 HD2 LYS A 62 -4.846 -10.655 -4.992 1.00 55.21 H new ATOM 0 HD3 LYS A 62 -5.559 -9.087 -4.670 1.00 55.21 H new ATOM 0 HE2 LYS A 62 -7.016 -11.753 -4.852 1.00 72.51 H new ATOM 0 HE3 LYS A 62 -6.763 -10.787 -3.412 1.00 72.51 H new ATOM 0 HZ1 LYS A 62 -8.998 -10.543 -4.312 1.00 4.52 H new ATOM 0 HZ2 LYS A 62 -8.167 -9.062 -4.326 1.00 4.52 H new ATOM 0 HZ3 LYS A 62 -8.369 -9.936 -5.767 1.00 4.52 H new ATOM 1035 N LYS A 63 -6.306 -14.079 -7.847 1.00 74.24 N ATOM 1036 CA LYS A 63 -6.796 -15.322 -8.495 1.00 41.31 C ATOM 1037 C LYS A 63 -5.906 -16.536 -8.137 1.00 1.43 C ATOM 1038 O LYS A 63 -6.414 -17.568 -7.681 1.00 43.24 O ATOM 1039 CB LYS A 63 -6.975 -15.160 -10.044 1.00 31.34 C ATOM 1040 CG LYS A 63 -7.425 -16.439 -10.801 1.00 34.11 C ATOM 1041 CD LYS A 63 -8.805 -17.016 -10.366 1.00 43.42 C ATOM 1042 CE LYS A 63 -10.013 -16.096 -10.663 1.00 20.03 C ATOM 1043 NZ LYS A 63 -10.158 -14.995 -9.676 1.00 33.50 N ATOM 0 H LYS A 63 -6.871 -13.807 -7.042 1.00 74.24 H new ATOM 0 HA LYS A 63 -7.790 -15.518 -8.093 1.00 41.31 H new ATOM 0 HB2 LYS A 63 -7.707 -14.373 -10.228 1.00 31.34 H new ATOM 0 HB3 LYS A 63 -6.030 -14.821 -10.468 1.00 31.34 H new ATOM 0 HG2 LYS A 63 -7.462 -16.217 -11.867 1.00 34.11 H new ATOM 0 HG3 LYS A 63 -6.667 -17.210 -10.662 1.00 34.11 H new ATOM 0 HD2 LYS A 63 -8.960 -17.970 -10.870 1.00 43.42 H new ATOM 0 HD3 LYS A 63 -8.777 -17.222 -9.296 1.00 43.42 H new ATOM 0 HE2 LYS A 63 -9.903 -15.671 -11.661 1.00 20.03 H new ATOM 0 HE3 LYS A 63 -10.925 -16.693 -10.670 1.00 20.03 H new ATOM 0 HZ1 LYS A 63 -11.167 -14.799 -9.520 1.00 33.50 H new ATOM 0 HZ2 LYS A 63 -9.717 -15.275 -8.777 1.00 33.50 H new ATOM 0 HZ3 LYS A 63 -9.691 -14.140 -10.039 1.00 33.50 H new ATOM 1057 N GLY A 64 -4.578 -16.390 -8.320 1.00 65.32 N ATOM 1058 CA GLY A 64 -3.612 -17.457 -8.014 1.00 13.35 C ATOM 1059 C GLY A 64 -3.291 -17.609 -6.527 1.00 70.25 C ATOM 1060 O GLY A 64 -2.463 -18.450 -6.167 1.00 64.22 O ATOM 0 H GLY A 64 -4.151 -15.537 -8.681 1.00 65.32 H new ATOM 0 HA2 GLY A 64 -4.003 -18.403 -8.388 1.00 13.35 H new ATOM 0 HA3 GLY A 64 -2.687 -17.259 -8.555 1.00 13.35 H new ATOM 1064 N LEU A 65 -3.926 -16.788 -5.672 1.00 24.51 N ATOM 1065 CA LEU A 65 -3.836 -16.918 -4.196 1.00 44.41 C ATOM 1066 C LEU A 65 -5.088 -17.600 -3.620 1.00 44.11 C ATOM 1067 O LEU A 65 -6.057 -17.862 -4.339 1.00 33.04 O ATOM 1068 CB LEU A 65 -3.580 -15.528 -3.507 1.00 50.54 C ATOM 1069 CG LEU A 65 -4.310 -14.254 -4.075 1.00 72.35 C ATOM 1070 CD1 LEU A 65 -5.846 -14.382 -4.110 1.00 1.10 C ATOM 1071 CD2 LEU A 65 -3.900 -12.997 -3.278 1.00 62.23 C ATOM 0 H LEU A 65 -4.517 -16.015 -5.978 1.00 24.51 H new ATOM 0 HA LEU A 65 -2.978 -17.554 -3.977 1.00 44.41 H new ATOM 0 HB2 LEU A 65 -3.855 -15.625 -2.457 1.00 50.54 H new ATOM 0 HB3 LEU A 65 -2.508 -15.336 -3.540 1.00 50.54 H new ATOM 0 HG LEU A 65 -3.986 -14.159 -5.111 1.00 72.35 H new ATOM 0 HD11 LEU A 65 -6.278 -13.466 -4.513 1.00 1.10 H new ATOM 0 HD12 LEU A 65 -6.127 -15.224 -4.742 1.00 1.10 H new ATOM 0 HD13 LEU A 65 -6.221 -14.546 -3.100 1.00 1.10 H new ATOM 0 HD21 LEU A 65 -4.414 -12.125 -3.684 1.00 62.23 H new ATOM 0 HD22 LEU A 65 -4.174 -13.125 -2.231 1.00 62.23 H new ATOM 0 HD23 LEU A 65 -2.823 -12.852 -3.356 1.00 62.23 H new ATOM 1083 N ASP A 66 -5.051 -17.852 -2.306 1.00 3.52 N ATOM 1084 CA ASP A 66 -6.161 -18.476 -1.565 1.00 33.51 C ATOM 1085 C ASP A 66 -7.328 -17.471 -1.397 1.00 22.10 C ATOM 1086 O ASP A 66 -7.128 -16.260 -1.539 1.00 22.13 O ATOM 1087 CB ASP A 66 -5.631 -18.955 -0.189 1.00 54.00 C ATOM 1088 CG ASP A 66 -6.633 -19.827 0.594 1.00 75.34 C ATOM 1089 OD1 ASP A 66 -6.738 -21.034 0.285 1.00 3.44 O ATOM 1090 OD2 ASP A 66 -7.325 -19.315 1.495 1.00 34.32 O ATOM 0 H ASP A 66 -4.246 -17.628 -1.721 1.00 3.52 H new ATOM 0 HA ASP A 66 -6.545 -19.333 -2.118 1.00 33.51 H new ATOM 0 HB2 ASP A 66 -4.712 -19.521 -0.341 1.00 54.00 H new ATOM 0 HB3 ASP A 66 -5.373 -18.084 0.414 1.00 54.00 H new ATOM 1095 N ASP A 67 -8.537 -17.975 -1.082 1.00 33.21 N ATOM 1096 CA ASP A 67 -9.740 -17.130 -0.908 1.00 11.21 C ATOM 1097 C ASP A 67 -9.631 -16.239 0.360 1.00 43.24 C ATOM 1098 O ASP A 67 -10.150 -15.117 0.389 1.00 20.03 O ATOM 1099 CB ASP A 67 -11.011 -18.019 -0.872 1.00 11.33 C ATOM 1100 CG ASP A 67 -12.312 -17.212 -0.688 1.00 65.22 C ATOM 1101 OD1 ASP A 67 -12.779 -16.600 -1.668 1.00 45.41 O ATOM 1102 OD2 ASP A 67 -12.865 -17.175 0.437 1.00 41.41 O ATOM 0 H ASP A 67 -8.709 -18.970 -0.941 1.00 33.21 H new ATOM 0 HA ASP A 67 -9.815 -16.456 -1.761 1.00 11.21 H new ATOM 0 HB2 ASP A 67 -11.073 -18.590 -1.798 1.00 11.33 H new ATOM 0 HB3 ASP A 67 -10.920 -18.739 -0.059 1.00 11.33 H new ATOM 1107 N ASP A 68 -8.946 -16.740 1.401 1.00 42.45 N ATOM 1108 CA ASP A 68 -8.670 -15.952 2.622 1.00 64.11 C ATOM 1109 C ASP A 68 -7.538 -14.941 2.348 1.00 55.43 C ATOM 1110 O ASP A 68 -7.558 -13.837 2.882 1.00 20.11 O ATOM 1111 CB ASP A 68 -8.323 -16.877 3.824 1.00 33.52 C ATOM 1112 CG ASP A 68 -7.988 -16.101 5.119 1.00 51.24 C ATOM 1113 OD1 ASP A 68 -8.912 -15.554 5.752 1.00 44.02 O ATOM 1114 OD2 ASP A 68 -6.804 -16.010 5.501 1.00 2.12 O ATOM 0 H ASP A 68 -8.571 -17.688 1.425 1.00 42.45 H new ATOM 0 HA ASP A 68 -9.571 -15.401 2.892 1.00 64.11 H new ATOM 0 HB2 ASP A 68 -9.165 -17.543 4.015 1.00 33.52 H new ATOM 0 HB3 ASP A 68 -7.474 -17.506 3.556 1.00 33.52 H new ATOM 1119 N ALA A 69 -6.569 -15.329 1.485 1.00 43.55 N ATOM 1120 CA ALA A 69 -5.481 -14.433 1.015 1.00 73.32 C ATOM 1121 C ALA A 69 -6.035 -13.288 0.142 1.00 73.13 C ATOM 1122 O ALA A 69 -5.453 -12.202 0.076 1.00 60.11 O ATOM 1123 CB ALA A 69 -4.426 -15.243 0.249 1.00 42.13 C ATOM 0 H ALA A 69 -6.518 -16.270 1.095 1.00 43.55 H new ATOM 0 HA ALA A 69 -5.010 -13.980 1.887 1.00 73.32 H new ATOM 0 HB1 ALA A 69 -3.633 -14.577 -0.091 1.00 42.13 H new ATOM 0 HB2 ALA A 69 -4.004 -16.004 0.906 1.00 42.13 H new ATOM 0 HB3 ALA A 69 -4.891 -15.724 -0.612 1.00 42.13 H new ATOM 1129 N ARG A 70 -7.149 -13.587 -0.538 1.00 12.34 N ATOM 1130 CA ARG A 70 -7.936 -12.640 -1.347 1.00 4.43 C ATOM 1131 C ARG A 70 -8.502 -11.518 -0.444 1.00 73.11 C ATOM 1132 O ARG A 70 -8.507 -10.335 -0.819 1.00 70.42 O ATOM 1133 CB ARG A 70 -9.079 -13.451 -2.028 1.00 51.12 C ATOM 1134 CG ARG A 70 -9.834 -12.773 -3.186 1.00 61.14 C ATOM 1135 CD ARG A 70 -11.005 -13.650 -3.696 1.00 21.43 C ATOM 1136 NE ARG A 70 -11.449 -13.278 -5.047 1.00 21.44 N ATOM 1137 CZ ARG A 70 -12.701 -12.929 -5.405 1.00 22.43 C ATOM 1138 NH1 ARG A 70 -13.691 -12.908 -4.519 1.00 33.42 N ATOM 1139 NH2 ARG A 70 -12.950 -12.626 -6.674 1.00 75.11 N ATOM 0 H ARG A 70 -7.543 -14.528 -0.542 1.00 12.34 H new ATOM 0 HA ARG A 70 -7.319 -12.161 -2.107 1.00 4.43 H new ATOM 0 HB2 ARG A 70 -8.655 -14.383 -2.402 1.00 51.12 H new ATOM 0 HB3 ARG A 70 -9.807 -13.717 -1.261 1.00 51.12 H new ATOM 0 HG2 ARG A 70 -10.219 -11.809 -2.855 1.00 61.14 H new ATOM 0 HG3 ARG A 70 -9.143 -12.576 -4.005 1.00 61.14 H new ATOM 0 HD2 ARG A 70 -10.697 -14.696 -3.695 1.00 21.43 H new ATOM 0 HD3 ARG A 70 -11.844 -13.564 -3.006 1.00 21.43 H new ATOM 0 HE ARG A 70 -10.743 -13.285 -5.783 1.00 21.44 H new ATOM 0 HH11 ARG A 70 -13.511 -13.159 -3.547 1.00 33.42 H new ATOM 0 HH12 ARG A 70 -14.631 -12.641 -4.811 1.00 33.42 H new ATOM 0 HH21 ARG A 70 -12.199 -12.659 -7.363 1.00 75.11 H new ATOM 0 HH22 ARG A 70 -13.892 -12.360 -6.959 1.00 75.11 H new ATOM 1153 N LYS A 71 -8.944 -11.933 0.767 1.00 44.23 N ATOM 1154 CA LYS A 71 -9.447 -11.037 1.830 1.00 31.44 C ATOM 1155 C LYS A 71 -8.294 -10.238 2.463 1.00 2.52 C ATOM 1156 O LYS A 71 -8.374 -9.014 2.593 1.00 41.20 O ATOM 1157 CB LYS A 71 -10.151 -11.865 2.948 1.00 50.41 C ATOM 1158 CG LYS A 71 -10.827 -11.009 4.063 1.00 11.04 C ATOM 1159 CD LYS A 71 -10.996 -11.722 5.441 1.00 0.00 C ATOM 1160 CE LYS A 71 -11.927 -12.952 5.434 1.00 62.35 C ATOM 1161 NZ LYS A 71 -11.267 -14.178 4.912 1.00 14.11 N ATOM 0 H LYS A 71 -8.960 -12.917 1.035 1.00 44.23 H new ATOM 0 HA LYS A 71 -10.158 -10.348 1.374 1.00 31.44 H new ATOM 0 HB2 LYS A 71 -10.907 -12.502 2.489 1.00 50.41 H new ATOM 0 HB3 LYS A 71 -9.417 -12.525 3.410 1.00 50.41 H new ATOM 0 HG2 LYS A 71 -10.238 -10.104 4.211 1.00 11.04 H new ATOM 0 HG3 LYS A 71 -11.810 -10.696 3.712 1.00 11.04 H new ATOM 0 HD2 LYS A 71 -10.013 -12.033 5.794 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.380 -11.000 6.161 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -12.279 -13.140 6.448 1.00 62.35 H new ATOM 0 HE3 LYS A 71 -12.805 -12.732 4.827 1.00 62.35 H new ATOM 0 HZ1 LYS A 71 -11.819 -15.015 5.191 1.00 14.11 H new ATOM 0 HZ2 LYS A 71 -11.213 -14.128 3.875 1.00 14.11 H new ATOM 0 HZ3 LYS A 71 -10.307 -14.250 5.305 1.00 14.11 H new ATOM 1175 N LYS A 72 -7.222 -10.969 2.844 1.00 64.35 N ATOM 1176 CA LYS A 72 -6.052 -10.412 3.555 1.00 11.33 C ATOM 1177 C LYS A 72 -5.325 -9.354 2.695 1.00 52.32 C ATOM 1178 O LYS A 72 -4.699 -8.444 3.231 1.00 3.11 O ATOM 1179 CB LYS A 72 -5.053 -11.550 3.938 1.00 42.30 C ATOM 1180 CG LYS A 72 -5.510 -12.552 5.028 1.00 2.30 C ATOM 1181 CD LYS A 72 -5.672 -11.909 6.424 1.00 14.33 C ATOM 1182 CE LYS A 72 -5.906 -12.957 7.531 1.00 20.13 C ATOM 1183 NZ LYS A 72 -7.146 -13.755 7.309 1.00 62.54 N ATOM 0 H LYS A 72 -7.145 -11.970 2.664 1.00 64.35 H new ATOM 0 HA LYS A 72 -6.417 -9.930 4.462 1.00 11.33 H new ATOM 0 HB2 LYS A 72 -4.821 -12.115 3.035 1.00 42.30 H new ATOM 0 HB3 LYS A 72 -4.124 -11.087 4.272 1.00 42.30 H new ATOM 0 HG2 LYS A 72 -6.459 -12.996 4.728 1.00 2.30 H new ATOM 0 HG3 LYS A 72 -4.785 -13.364 5.092 1.00 2.30 H new ATOM 0 HD2 LYS A 72 -4.780 -11.329 6.659 1.00 14.33 H new ATOM 0 HD3 LYS A 72 -6.510 -11.212 6.405 1.00 14.33 H new ATOM 0 HE2 LYS A 72 -5.049 -13.629 7.578 1.00 20.13 H new ATOM 0 HE3 LYS A 72 -5.970 -12.454 8.496 1.00 20.13 H new ATOM 0 HZ1 LYS A 72 -7.520 -14.077 8.224 1.00 62.54 H new ATOM 0 HZ2 LYS A 72 -7.858 -13.165 6.832 1.00 62.54 H new ATOM 0 HZ3 LYS A 72 -6.926 -14.580 6.716 1.00 62.54 H new ATOM 1197 N ALA A 73 -5.374 -9.536 1.363 1.00 22.34 N ATOM 1198 CA ALA A 73 -4.808 -8.595 0.373 1.00 45.22 C ATOM 1199 C ALA A 73 -5.605 -7.296 0.354 1.00 60.35 C ATOM 1200 O ALA A 73 -5.040 -6.197 0.426 1.00 12.24 O ATOM 1201 CB ALA A 73 -4.848 -9.243 -1.016 1.00 12.42 C ATOM 0 H ALA A 73 -5.813 -10.351 0.936 1.00 22.34 H new ATOM 0 HA ALA A 73 -3.778 -8.366 0.648 1.00 45.22 H new ATOM 0 HB1 ALA A 73 -4.432 -8.554 -1.751 1.00 12.42 H new ATOM 0 HB2 ALA A 73 -4.261 -10.161 -1.006 1.00 12.42 H new ATOM 0 HB3 ALA A 73 -5.880 -9.475 -1.280 1.00 12.42 H new ATOM 1207 N LYS A 74 -6.930 -7.478 0.288 1.00 1.04 N ATOM 1208 CA LYS A 74 -7.915 -6.403 0.155 1.00 0.33 C ATOM 1209 C LYS A 74 -7.910 -5.493 1.401 1.00 75.12 C ATOM 1210 O LYS A 74 -7.945 -4.264 1.276 1.00 61.00 O ATOM 1211 CB LYS A 74 -9.300 -7.049 -0.087 1.00 64.23 C ATOM 1212 CG LYS A 74 -10.443 -6.050 -0.348 1.00 73.01 C ATOM 1213 CD LYS A 74 -11.815 -6.727 -0.563 1.00 3.15 C ATOM 1214 CE LYS A 74 -12.274 -7.546 0.653 1.00 33.14 C ATOM 1215 NZ LYS A 74 -13.586 -8.202 0.395 1.00 31.34 N ATOM 0 H LYS A 74 -7.356 -8.404 0.327 1.00 1.04 H new ATOM 0 HA LYS A 74 -7.665 -5.762 -0.691 1.00 0.33 H new ATOM 0 HB2 LYS A 74 -9.226 -7.725 -0.939 1.00 64.23 H new ATOM 0 HB3 LYS A 74 -9.558 -7.656 0.780 1.00 64.23 H new ATOM 0 HG2 LYS A 74 -10.514 -5.363 0.495 1.00 73.01 H new ATOM 0 HG3 LYS A 74 -10.200 -5.453 -1.227 1.00 73.01 H new ATOM 0 HD2 LYS A 74 -12.561 -5.963 -0.783 1.00 3.15 H new ATOM 0 HD3 LYS A 74 -11.760 -7.379 -1.434 1.00 3.15 H new ATOM 0 HE2 LYS A 74 -11.526 -8.303 0.889 1.00 33.14 H new ATOM 0 HE3 LYS A 74 -12.354 -6.895 1.524 1.00 33.14 H new ATOM 0 HZ1 LYS A 74 -13.872 -8.748 1.233 1.00 31.34 H new ATOM 0 HZ2 LYS A 74 -14.303 -7.476 0.194 1.00 31.34 H new ATOM 0 HZ3 LYS A 74 -13.500 -8.840 -0.422 1.00 31.34 H new ATOM 1229 N LYS A 75 -7.819 -6.123 2.589 1.00 10.02 N ATOM 1230 CA LYS A 75 -7.727 -5.417 3.879 1.00 20.11 C ATOM 1231 C LYS A 75 -6.375 -4.695 4.014 1.00 71.22 C ATOM 1232 O LYS A 75 -6.333 -3.545 4.458 1.00 52.24 O ATOM 1233 CB LYS A 75 -7.911 -6.406 5.069 1.00 11.25 C ATOM 1234 CG LYS A 75 -9.345 -6.965 5.223 1.00 42.34 C ATOM 1235 CD LYS A 75 -9.506 -7.856 6.482 1.00 32.21 C ATOM 1236 CE LYS A 75 -10.975 -8.227 6.766 1.00 55.11 C ATOM 1237 NZ LYS A 75 -11.824 -7.026 7.010 1.00 21.41 N ATOM 0 H LYS A 75 -7.807 -7.139 2.679 1.00 10.02 H new ATOM 0 HA LYS A 75 -8.528 -4.678 3.907 1.00 20.11 H new ATOM 0 HB2 LYS A 75 -7.221 -7.240 4.941 1.00 11.25 H new ATOM 0 HB3 LYS A 75 -7.631 -5.899 5.993 1.00 11.25 H new ATOM 0 HG2 LYS A 75 -10.050 -6.136 5.277 1.00 42.34 H new ATOM 0 HG3 LYS A 75 -9.602 -7.545 4.337 1.00 42.34 H new ATOM 0 HD2 LYS A 75 -8.924 -8.768 6.353 1.00 32.21 H new ATOM 0 HD3 LYS A 75 -9.094 -7.335 7.346 1.00 32.21 H new ATOM 0 HE2 LYS A 75 -11.376 -8.787 5.921 1.00 55.11 H new ATOM 0 HE3 LYS A 75 -11.020 -8.884 7.635 1.00 55.11 H new ATOM 0 HZ1 LYS A 75 -12.731 -7.321 7.424 1.00 21.41 H new ATOM 0 HZ2 LYS A 75 -11.336 -6.383 7.666 1.00 21.41 H new ATOM 0 HZ3 LYS A 75 -11.998 -6.535 6.110 1.00 21.41 H new ATOM 1251 N TRP A 76 -5.290 -5.394 3.601 1.00 21.20 N ATOM 1252 CA TRP A 76 -3.899 -4.911 3.724 1.00 74.33 C ATOM 1253 C TRP A 76 -3.734 -3.523 3.082 1.00 51.32 C ATOM 1254 O TRP A 76 -3.268 -2.587 3.732 1.00 13.33 O ATOM 1255 CB TRP A 76 -2.916 -5.930 3.075 1.00 32.10 C ATOM 1256 CG TRP A 76 -1.458 -5.559 3.194 1.00 34.31 C ATOM 1257 CD1 TRP A 76 -0.636 -5.817 4.244 1.00 63.11 C ATOM 1258 CD2 TRP A 76 -0.661 -4.853 2.231 1.00 42.02 C ATOM 1259 NE1 TRP A 76 0.609 -5.312 3.997 1.00 3.40 N ATOM 1260 CE2 TRP A 76 0.621 -4.711 2.781 1.00 23.34 C ATOM 1261 CE3 TRP A 76 -0.908 -4.324 0.964 1.00 35.02 C ATOM 1262 CZ2 TRP A 76 1.654 -4.061 2.119 1.00 42.21 C ATOM 1263 CZ3 TRP A 76 0.114 -3.683 0.301 1.00 23.13 C ATOM 1264 CH2 TRP A 76 1.387 -3.556 0.881 1.00 55.03 C ATOM 0 H TRP A 76 -5.360 -6.316 3.170 1.00 21.20 H new ATOM 0 HA TRP A 76 -3.664 -4.820 4.785 1.00 74.33 H new ATOM 0 HB2 TRP A 76 -3.068 -6.906 3.536 1.00 32.10 H new ATOM 0 HB3 TRP A 76 -3.166 -6.034 2.019 1.00 32.10 H new ATOM 0 HD1 TRP A 76 -0.924 -6.344 5.142 1.00 63.11 H new ATOM 0 HE1 TRP A 76 1.407 -5.377 4.629 1.00 3.40 H new ATOM 0 HE3 TRP A 76 -1.884 -4.416 0.511 1.00 35.02 H new ATOM 0 HZ2 TRP A 76 2.631 -3.959 2.567 1.00 42.21 H new ATOM 0 HZ3 TRP A 76 -0.066 -3.271 -0.681 1.00 23.13 H new ATOM 0 HH2 TRP A 76 2.169 -3.049 0.336 1.00 55.03 H new ATOM 1275 N ALA A 77 -4.165 -3.419 1.811 1.00 51.41 N ATOM 1276 CA ALA A 77 -4.049 -2.195 1.004 1.00 34.11 C ATOM 1277 C ALA A 77 -4.802 -1.009 1.627 1.00 52.34 C ATOM 1278 O ALA A 77 -4.346 0.140 1.540 1.00 31.32 O ATOM 1279 CB ALA A 77 -4.570 -2.456 -0.404 1.00 32.32 C ATOM 0 H ALA A 77 -4.608 -4.191 1.313 1.00 51.41 H new ATOM 0 HA ALA A 77 -2.993 -1.926 0.969 1.00 34.11 H new ATOM 0 HB1 ALA A 77 -4.482 -1.547 -0.999 1.00 32.32 H new ATOM 0 HB2 ALA A 77 -3.985 -3.250 -0.867 1.00 32.32 H new ATOM 0 HB3 ALA A 77 -5.616 -2.758 -0.355 1.00 32.32 H new ATOM 1285 N LEU A 78 -5.959 -1.312 2.248 1.00 33.32 N ATOM 1286 CA LEU A 78 -6.786 -0.317 2.941 1.00 73.53 C ATOM 1287 C LEU A 78 -6.064 0.195 4.196 1.00 35.23 C ATOM 1288 O LEU A 78 -5.975 1.394 4.397 1.00 2.21 O ATOM 1289 CB LEU A 78 -8.170 -0.917 3.316 1.00 13.03 C ATOM 1290 CG LEU A 78 -9.096 -1.326 2.128 1.00 74.41 C ATOM 1291 CD1 LEU A 78 -10.408 -1.961 2.642 1.00 4.31 C ATOM 1292 CD2 LEU A 78 -9.374 -0.131 1.187 1.00 73.12 C ATOM 0 H LEU A 78 -6.343 -2.256 2.280 1.00 33.32 H new ATOM 0 HA LEU A 78 -6.951 0.523 2.267 1.00 73.53 H new ATOM 0 HB2 LEU A 78 -8.003 -1.797 3.937 1.00 13.03 H new ATOM 0 HB3 LEU A 78 -8.702 -0.190 3.929 1.00 13.03 H new ATOM 0 HG LEU A 78 -8.570 -2.080 1.542 1.00 74.41 H new ATOM 0 HD11 LEU A 78 -11.035 -2.237 1.794 1.00 4.31 H new ATOM 0 HD12 LEU A 78 -10.177 -2.851 3.227 1.00 4.31 H new ATOM 0 HD13 LEU A 78 -10.939 -1.243 3.268 1.00 4.31 H new ATOM 0 HD21 LEU A 78 -10.022 -0.453 0.372 1.00 73.12 H new ATOM 0 HD22 LEU A 78 -9.864 0.666 1.746 1.00 73.12 H new ATOM 0 HD23 LEU A 78 -8.433 0.237 0.779 1.00 73.12 H new ATOM 1304 N GLU A 79 -5.517 -0.729 5.009 1.00 11.52 N ATOM 1305 CA GLU A 79 -4.862 -0.386 6.294 1.00 73.54 C ATOM 1306 C GLU A 79 -3.550 0.403 6.091 1.00 31.12 C ATOM 1307 O GLU A 79 -3.206 1.253 6.920 1.00 44.21 O ATOM 1308 CB GLU A 79 -4.622 -1.662 7.136 1.00 55.33 C ATOM 1309 CG GLU A 79 -5.902 -2.458 7.461 1.00 21.44 C ATOM 1310 CD GLU A 79 -6.942 -1.646 8.253 1.00 3.35 C ATOM 1311 OE1 GLU A 79 -6.843 -1.594 9.498 1.00 10.52 O ATOM 1312 OE2 GLU A 79 -7.859 -1.051 7.633 1.00 75.33 O ATOM 0 H GLU A 79 -5.514 -1.727 4.800 1.00 11.52 H new ATOM 0 HA GLU A 79 -5.539 0.270 6.841 1.00 73.54 H new ATOM 0 HB2 GLU A 79 -3.930 -2.312 6.600 1.00 55.33 H new ATOM 0 HB3 GLU A 79 -4.136 -1.381 8.070 1.00 55.33 H new ATOM 0 HG2 GLU A 79 -6.353 -2.802 6.530 1.00 21.44 H new ATOM 0 HG3 GLU A 79 -5.633 -3.346 8.033 1.00 21.44 H new ATOM 1319 N VAL A 80 -2.834 0.119 4.983 1.00 3.33 N ATOM 1320 CA VAL A 80 -1.686 0.931 4.529 1.00 64.21 C ATOM 1321 C VAL A 80 -2.172 2.361 4.186 1.00 72.34 C ATOM 1322 O VAL A 80 -1.612 3.352 4.675 1.00 12.11 O ATOM 1323 CB VAL A 80 -0.984 0.284 3.269 1.00 34.24 C ATOM 1324 CG1 VAL A 80 0.124 1.196 2.691 1.00 75.42 C ATOM 1325 CG2 VAL A 80 -0.415 -1.117 3.596 1.00 43.32 C ATOM 0 H VAL A 80 -3.035 -0.678 4.379 1.00 3.33 H new ATOM 0 HA VAL A 80 -0.953 0.971 5.335 1.00 64.21 H new ATOM 0 HB VAL A 80 -1.754 0.172 2.505 1.00 34.24 H new ATOM 0 HG11 VAL A 80 0.579 0.712 1.827 1.00 75.42 H new ATOM 0 HG12 VAL A 80 -0.310 2.148 2.387 1.00 75.42 H new ATOM 0 HG13 VAL A 80 0.885 1.371 3.452 1.00 75.42 H new ATOM 0 HG21 VAL A 80 0.061 -1.533 2.708 1.00 43.32 H new ATOM 0 HG22 VAL A 80 0.321 -1.033 4.396 1.00 43.32 H new ATOM 0 HG23 VAL A 80 -1.225 -1.773 3.915 1.00 43.32 H new ATOM 1335 N ALA A 81 -3.259 2.427 3.387 1.00 22.11 N ATOM 1336 CA ALA A 81 -3.874 3.688 2.933 1.00 23.52 C ATOM 1337 C ALA A 81 -4.346 4.552 4.115 1.00 23.12 C ATOM 1338 O ALA A 81 -4.112 5.763 4.136 1.00 41.13 O ATOM 1339 CB ALA A 81 -5.058 3.383 2.000 1.00 33.34 C ATOM 0 H ALA A 81 -3.737 1.597 3.037 1.00 22.11 H new ATOM 0 HA ALA A 81 -3.115 4.254 2.393 1.00 23.52 H new ATOM 0 HB1 ALA A 81 -5.509 4.318 1.667 1.00 33.34 H new ATOM 0 HB2 ALA A 81 -4.704 2.822 1.135 1.00 33.34 H new ATOM 0 HB3 ALA A 81 -5.801 2.792 2.536 1.00 33.34 H new ATOM 1345 N ASN A 82 -4.970 3.891 5.109 1.00 43.14 N ATOM 1346 CA ASN A 82 -5.570 4.557 6.275 1.00 22.33 C ATOM 1347 C ASN A 82 -4.495 5.015 7.265 1.00 73.35 C ATOM 1348 O ASN A 82 -4.709 5.991 7.983 1.00 52.34 O ATOM 1349 CB ASN A 82 -6.585 3.627 7.015 1.00 44.42 C ATOM 1350 CG ASN A 82 -7.900 3.389 6.254 1.00 41.30 C ATOM 1351 OD1 ASN A 82 -8.738 4.283 6.145 1.00 15.22 O ATOM 1352 ND2 ASN A 82 -8.134 2.164 5.811 1.00 10.34 N ATOM 0 H ASN A 82 -5.071 2.876 5.123 1.00 43.14 H new ATOM 0 HA ASN A 82 -6.105 5.427 5.895 1.00 22.33 H new ATOM 0 HB2 ASN A 82 -6.108 2.665 7.202 1.00 44.42 H new ATOM 0 HB3 ASN A 82 -6.816 4.062 7.987 1.00 44.42 H new ATOM 0 HD21 ASN A 82 -9.026 1.944 5.367 1.00 10.34 H new ATOM 0 HD22 ASN A 82 -7.423 1.440 5.913 1.00 10.34 H new ATOM 1359 N LYS A 83 -3.354 4.293 7.313 1.00 65.51 N ATOM 1360 CA LYS A 83 -2.231 4.637 8.206 1.00 54.45 C ATOM 1361 C LYS A 83 -1.624 5.979 7.755 1.00 32.14 C ATOM 1362 O LYS A 83 -1.468 6.899 8.565 1.00 74.43 O ATOM 1363 CB LYS A 83 -1.155 3.490 8.238 1.00 22.52 C ATOM 1364 CG LYS A 83 -0.136 3.560 9.425 1.00 73.12 C ATOM 1365 CD LYS A 83 0.977 4.637 9.263 1.00 20.02 C ATOM 1366 CE LYS A 83 1.715 4.946 10.581 1.00 61.12 C ATOM 1367 NZ LYS A 83 2.458 3.773 11.117 1.00 14.24 N ATOM 0 H LYS A 83 -3.188 3.465 6.740 1.00 65.51 H new ATOM 0 HA LYS A 83 -2.599 4.743 9.226 1.00 54.45 H new ATOM 0 HB2 LYS A 83 -1.672 2.531 8.281 1.00 22.52 H new ATOM 0 HB3 LYS A 83 -0.598 3.511 7.301 1.00 22.52 H new ATOM 0 HG2 LYS A 83 -0.684 3.759 10.346 1.00 73.12 H new ATOM 0 HG3 LYS A 83 0.335 2.584 9.540 1.00 73.12 H new ATOM 0 HD2 LYS A 83 1.699 4.296 8.521 1.00 20.02 H new ATOM 0 HD3 LYS A 83 0.533 5.555 8.878 1.00 20.02 H new ATOM 0 HE2 LYS A 83 2.412 5.768 10.417 1.00 61.12 H new ATOM 0 HE3 LYS A 83 0.994 5.284 11.325 1.00 61.12 H new ATOM 0 HZ1 LYS A 83 2.934 4.039 12.003 1.00 14.24 H new ATOM 0 HZ2 LYS A 83 1.793 2.995 11.301 1.00 14.24 H new ATOM 0 HZ3 LYS A 83 3.167 3.464 10.422 1.00 14.24 H new ATOM 1381 N ILE A 84 -1.323 6.080 6.445 1.00 53.45 N ATOM 1382 CA ILE A 84 -0.694 7.276 5.849 1.00 53.33 C ATOM 1383 C ILE A 84 -1.695 8.462 5.861 1.00 72.20 C ATOM 1384 O ILE A 84 -1.316 9.609 6.137 1.00 4.14 O ATOM 1385 CB ILE A 84 -0.185 6.992 4.377 1.00 62.23 C ATOM 1386 CG1 ILE A 84 0.674 5.681 4.317 1.00 74.53 C ATOM 1387 CG2 ILE A 84 0.629 8.192 3.830 1.00 74.03 C ATOM 1388 CD1 ILE A 84 0.998 5.198 2.910 1.00 2.12 C ATOM 0 H ILE A 84 -1.508 5.337 5.772 1.00 53.45 H new ATOM 0 HA ILE A 84 0.176 7.537 6.451 1.00 53.33 H new ATOM 0 HB ILE A 84 -1.064 6.854 3.747 1.00 62.23 H new ATOM 0 HG12 ILE A 84 1.608 5.850 4.853 1.00 74.53 H new ATOM 0 HG13 ILE A 84 0.142 4.890 4.845 1.00 74.53 H new ATOM 0 HG21 ILE A 84 0.967 7.971 2.818 1.00 74.03 H new ATOM 0 HG22 ILE A 84 0.000 9.082 3.817 1.00 74.03 H new ATOM 0 HG23 ILE A 84 1.493 8.368 4.471 1.00 74.03 H new ATOM 0 HD11 ILE A 84 1.594 4.287 2.966 1.00 2.12 H new ATOM 0 HD12 ILE A 84 0.072 4.993 2.373 1.00 2.12 H new ATOM 0 HD13 ILE A 84 1.560 5.968 2.382 1.00 2.12 H new ATOM 1400 N ALA A 85 -2.990 8.150 5.616 1.00 43.12 N ATOM 1401 CA ALA A 85 -4.082 9.148 5.647 1.00 63.12 C ATOM 1402 C ALA A 85 -4.304 9.696 7.073 1.00 0.34 C ATOM 1403 O ALA A 85 -4.668 10.861 7.242 1.00 13.40 O ATOM 1404 CB ALA A 85 -5.377 8.535 5.089 1.00 21.11 C ATOM 0 H ALA A 85 -3.304 7.206 5.393 1.00 43.12 H new ATOM 0 HA ALA A 85 -3.792 9.988 5.016 1.00 63.12 H new ATOM 0 HB1 ALA A 85 -6.173 9.279 5.117 1.00 21.11 H new ATOM 0 HB2 ALA A 85 -5.214 8.216 4.059 1.00 21.11 H new ATOM 0 HB3 ALA A 85 -5.663 7.675 5.694 1.00 21.11 H new ATOM 1410 N ASN A 86 -4.080 8.840 8.084 1.00 43.44 N ATOM 1411 CA ASN A 86 -4.185 9.215 9.514 1.00 3.21 C ATOM 1412 C ASN A 86 -2.977 10.069 9.948 1.00 50.44 C ATOM 1413 O ASN A 86 -3.138 11.076 10.651 1.00 42.11 O ATOM 1414 CB ASN A 86 -4.280 7.934 10.387 1.00 52.13 C ATOM 1415 CG ASN A 86 -4.329 8.210 11.898 1.00 51.25 C ATOM 1416 OD1 ASN A 86 -3.300 8.248 12.569 1.00 25.41 O ATOM 1417 ND2 ASN A 86 -5.514 8.430 12.441 1.00 63.34 N ATOM 0 H ASN A 86 -3.820 7.865 7.938 1.00 43.44 H new ATOM 0 HA ASN A 86 -5.087 9.811 9.652 1.00 3.21 H new ATOM 0 HB2 ASN A 86 -5.172 7.377 10.101 1.00 52.13 H new ATOM 0 HB3 ASN A 86 -3.423 7.296 10.172 1.00 52.13 H new ATOM 0 HD21 ASN A 86 -5.588 8.637 13.437 1.00 63.34 H new ATOM 0 HD22 ASN A 86 -6.354 8.393 11.864 1.00 63.34 H new ATOM 1424 N GLU A 87 -1.783 9.646 9.500 1.00 10.21 N ATOM 1425 CA GLU A 87 -0.484 10.213 9.916 1.00 64.43 C ATOM 1426 C GLU A 87 -0.370 11.673 9.430 1.00 1.30 C ATOM 1427 O GLU A 87 -0.052 12.574 10.208 1.00 72.33 O ATOM 1428 CB GLU A 87 0.664 9.313 9.338 1.00 51.12 C ATOM 1429 CG GLU A 87 2.050 9.392 10.040 1.00 44.03 C ATOM 1430 CD GLU A 87 2.843 10.695 9.797 1.00 71.01 C ATOM 1431 OE1 GLU A 87 3.559 10.787 8.777 1.00 53.40 O ATOM 1432 OE2 GLU A 87 2.767 11.621 10.635 1.00 1.45 O ATOM 0 H GLU A 87 -1.689 8.886 8.826 1.00 10.21 H new ATOM 0 HA GLU A 87 -0.401 10.226 11.003 1.00 64.43 H new ATOM 0 HB2 GLU A 87 0.328 8.276 9.368 1.00 51.12 H new ATOM 0 HB3 GLU A 87 0.801 9.573 8.288 1.00 51.12 H new ATOM 0 HG2 GLU A 87 1.902 9.272 11.113 1.00 44.03 H new ATOM 0 HG3 GLU A 87 2.656 8.550 9.705 1.00 44.03 H new ATOM 1439 N LEU A 88 -0.671 11.892 8.142 1.00 3.45 N ATOM 1440 CA LEU A 88 -0.533 13.211 7.495 1.00 51.21 C ATOM 1441 C LEU A 88 -1.829 14.022 7.593 1.00 64.23 C ATOM 1442 O LEU A 88 -1.798 15.231 7.821 1.00 61.25 O ATOM 1443 CB LEU A 88 -0.123 13.048 5.996 1.00 22.54 C ATOM 1444 CG LEU A 88 1.335 12.561 5.723 1.00 62.34 C ATOM 1445 CD1 LEU A 88 2.375 13.459 6.420 1.00 43.43 C ATOM 1446 CD2 LEU A 88 1.548 11.069 6.065 1.00 73.11 C ATOM 0 H LEU A 88 -1.017 11.163 7.518 1.00 3.45 H new ATOM 0 HA LEU A 88 0.251 13.754 8.024 1.00 51.21 H new ATOM 0 HB2 LEU A 88 -0.811 12.344 5.528 1.00 22.54 H new ATOM 0 HB3 LEU A 88 -0.261 14.008 5.498 1.00 22.54 H new ATOM 0 HG LEU A 88 1.488 12.651 4.648 1.00 62.34 H new ATOM 0 HD11 LEU A 88 3.377 13.088 6.206 1.00 43.43 H new ATOM 0 HD12 LEU A 88 2.280 14.480 6.051 1.00 43.43 H new ATOM 0 HD13 LEU A 88 2.205 13.445 7.497 1.00 43.43 H new ATOM 0 HD21 LEU A 88 2.581 10.791 5.854 1.00 73.11 H new ATOM 0 HD22 LEU A 88 1.337 10.904 7.122 1.00 73.11 H new ATOM 0 HD23 LEU A 88 0.877 10.458 5.461 1.00 73.11 H new ATOM 1458 N GLY A 89 -2.957 13.341 7.405 1.00 61.15 N ATOM 1459 CA GLY A 89 -4.246 14.006 7.248 1.00 42.33 C ATOM 1460 C GLY A 89 -4.499 14.221 5.774 1.00 55.54 C ATOM 1461 O GLY A 89 -4.427 15.348 5.273 1.00 24.40 O ATOM 0 H GLY A 89 -3.003 12.323 7.358 1.00 61.15 H new ATOM 0 HA2 GLY A 89 -5.040 13.400 7.684 1.00 42.33 H new ATOM 0 HA3 GLY A 89 -4.247 14.960 7.775 1.00 42.33 H new ATOM 1465 N ALA A 90 -4.745 13.108 5.076 1.00 74.44 N ATOM 1466 CA ALA A 90 -4.782 13.055 3.610 1.00 33.21 C ATOM 1467 C ALA A 90 -5.985 12.219 3.129 1.00 74.35 C ATOM 1468 O ALA A 90 -6.752 11.702 3.949 1.00 51.50 O ATOM 1469 CB ALA A 90 -3.437 12.494 3.097 1.00 60.31 C ATOM 0 H ALA A 90 -4.926 12.207 5.518 1.00 74.44 H new ATOM 0 HA ALA A 90 -4.915 14.057 3.201 1.00 33.21 H new ATOM 0 HB1 ALA A 90 -3.453 12.450 2.008 1.00 60.31 H new ATOM 0 HB2 ALA A 90 -2.624 13.143 3.422 1.00 60.31 H new ATOM 0 HB3 ALA A 90 -3.284 11.492 3.498 1.00 60.31 H new ATOM 1475 N LYS A 91 -6.128 12.101 1.796 1.00 62.44 N ATOM 1476 CA LYS A 91 -7.277 11.435 1.136 1.00 30.53 C ATOM 1477 C LYS A 91 -7.308 9.897 1.378 1.00 51.03 C ATOM 1478 O LYS A 91 -6.469 9.337 2.092 1.00 53.31 O ATOM 1479 CB LYS A 91 -7.204 11.719 -0.390 1.00 73.42 C ATOM 1480 CG LYS A 91 -7.209 13.207 -0.810 1.00 52.12 C ATOM 1481 CD LYS A 91 -8.567 13.902 -0.585 1.00 44.52 C ATOM 1482 CE LYS A 91 -8.589 15.337 -1.140 1.00 32.44 C ATOM 1483 NZ LYS A 91 -9.934 15.966 -1.008 1.00 12.42 N ATOM 0 H LYS A 91 -5.443 12.468 1.135 1.00 62.44 H new ATOM 0 HA LYS A 91 -8.191 11.840 1.571 1.00 30.53 H new ATOM 0 HB2 LYS A 91 -6.298 11.256 -0.781 1.00 73.42 H new ATOM 0 HB3 LYS A 91 -8.048 11.225 -0.871 1.00 73.42 H new ATOM 0 HG2 LYS A 91 -6.440 13.738 -0.249 1.00 52.12 H new ATOM 0 HG3 LYS A 91 -6.942 13.280 -1.864 1.00 52.12 H new ATOM 0 HD2 LYS A 91 -9.354 13.318 -1.062 1.00 44.52 H new ATOM 0 HD3 LYS A 91 -8.789 13.924 0.482 1.00 44.52 H new ATOM 0 HE2 LYS A 91 -7.852 15.942 -0.611 1.00 32.44 H new ATOM 0 HE3 LYS A 91 -8.296 15.324 -2.190 1.00 32.44 H new ATOM 0 HZ1 LYS A 91 -9.905 16.931 -1.394 1.00 12.42 H new ATOM 0 HZ2 LYS A 91 -10.633 15.404 -1.534 1.00 12.42 H new ATOM 0 HZ3 LYS A 91 -10.203 16.002 -0.004 1.00 12.42 H new ATOM 1497 N GLN A 92 -8.305 9.231 0.765 1.00 20.03 N ATOM 1498 CA GLN A 92 -8.474 7.756 0.808 1.00 54.11 C ATOM 1499 C GLN A 92 -7.891 7.099 -0.465 1.00 20.40 C ATOM 1500 O GLN A 92 -7.187 7.745 -1.256 1.00 73.51 O ATOM 1501 CB GLN A 92 -9.990 7.387 0.983 1.00 65.23 C ATOM 1502 CG GLN A 92 -10.517 7.406 2.440 1.00 5.04 C ATOM 1503 CD GLN A 92 -10.346 8.747 3.159 1.00 25.11 C ATOM 1504 OE1 GLN A 92 -11.216 9.613 3.101 1.00 20.50 O ATOM 1505 NE2 GLN A 92 -9.224 8.926 3.847 1.00 62.04 N ATOM 0 H GLN A 92 -9.026 9.702 0.219 1.00 20.03 H new ATOM 0 HA GLN A 92 -7.924 7.370 1.666 1.00 54.11 H new ATOM 0 HB2 GLN A 92 -10.586 8.081 0.391 1.00 65.23 H new ATOM 0 HB3 GLN A 92 -10.154 6.392 0.569 1.00 65.23 H new ATOM 0 HG2 GLN A 92 -11.575 7.144 2.434 1.00 5.04 H new ATOM 0 HG3 GLN A 92 -10.000 6.634 3.010 1.00 5.04 H new ATOM 0 HE21 GLN A 92 -8.520 8.188 3.876 1.00 62.04 H new ATOM 0 HE22 GLN A 92 -9.066 9.801 4.346 1.00 62.04 H new ATOM 1514 N SER A 93 -8.182 5.795 -0.636 1.00 50.54 N ATOM 1515 CA SER A 93 -7.764 5.008 -1.803 1.00 33.41 C ATOM 1516 C SER A 93 -8.979 4.544 -2.619 1.00 62.44 C ATOM 1517 O SER A 93 -10.073 4.365 -2.069 1.00 31.34 O ATOM 1518 CB SER A 93 -6.951 3.784 -1.325 1.00 44.54 C ATOM 1519 OG SER A 93 -7.654 3.029 -0.343 1.00 33.03 O ATOM 0 H SER A 93 -8.720 5.256 0.042 1.00 50.54 H new ATOM 0 HA SER A 93 -7.146 5.635 -2.446 1.00 33.41 H new ATOM 0 HB2 SER A 93 -6.721 3.145 -2.178 1.00 44.54 H new ATOM 0 HB3 SER A 93 -5.999 4.119 -0.912 1.00 44.54 H new ATOM 0 HG SER A 93 -7.109 2.263 -0.067 1.00 33.03 H new ATOM 1525 N THR A 94 -8.781 4.377 -3.935 1.00 13.20 N ATOM 1526 CA THR A 94 -9.716 3.653 -4.797 1.00 43.10 C ATOM 1527 C THR A 94 -9.218 2.197 -4.906 1.00 63.22 C ATOM 1528 O THR A 94 -8.006 1.953 -4.982 1.00 12.12 O ATOM 1529 CB THR A 94 -9.839 4.325 -6.207 1.00 30.20 C ATOM 1530 OG1 THR A 94 -10.845 3.655 -6.979 1.00 45.11 O ATOM 1531 CG2 THR A 94 -8.512 4.343 -6.995 1.00 73.04 C ATOM 0 H THR A 94 -7.966 4.742 -4.428 1.00 13.20 H new ATOM 0 HA THR A 94 -10.716 3.676 -4.365 1.00 43.10 H new ATOM 0 HB THR A 94 -10.117 5.364 -6.032 1.00 30.20 H new ATOM 0 HG1 THR A 94 -10.919 4.080 -7.859 1.00 45.11 H new ATOM 0 HG21 THR A 94 -8.669 4.822 -7.961 1.00 73.04 H new ATOM 0 HG22 THR A 94 -7.762 4.899 -6.432 1.00 73.04 H new ATOM 0 HG23 THR A 94 -8.166 3.321 -7.149 1.00 73.04 H new ATOM 1539 N THR A 95 -10.146 1.232 -4.878 1.00 75.22 N ATOM 1540 CA THR A 95 -9.809 -0.196 -4.767 1.00 15.15 C ATOM 1541 C THR A 95 -10.384 -1.027 -5.935 1.00 14.11 C ATOM 1542 O THR A 95 -11.601 -1.132 -6.108 1.00 41.11 O ATOM 1543 CB THR A 95 -10.265 -0.779 -3.378 1.00 54.24 C ATOM 1544 OG1 THR A 95 -10.074 -2.207 -3.342 1.00 24.51 O ATOM 1545 CG2 THR A 95 -11.730 -0.439 -3.034 1.00 62.33 C ATOM 0 H THR A 95 -11.148 1.416 -4.931 1.00 75.22 H new ATOM 0 HA THR A 95 -8.723 -0.272 -4.829 1.00 15.15 H new ATOM 0 HB THR A 95 -9.638 -0.303 -2.624 1.00 54.24 H new ATOM 0 HG1 THR A 95 -10.361 -2.554 -2.471 1.00 24.51 H new ATOM 0 HG21 THR A 95 -11.985 -0.868 -2.065 1.00 62.33 H new ATOM 0 HG22 THR A 95 -11.853 0.643 -2.995 1.00 62.33 H new ATOM 0 HG23 THR A 95 -12.388 -0.852 -3.798 1.00 62.33 H new ATOM 1553 N THR A 96 -9.474 -1.572 -6.754 1.00 11.54 N ATOM 1554 CA THR A 96 -9.773 -2.620 -7.742 1.00 12.20 C ATOM 1555 C THR A 96 -9.128 -3.921 -7.243 1.00 50.31 C ATOM 1556 O THR A 96 -7.898 -4.029 -7.172 1.00 64.44 O ATOM 1557 CB THR A 96 -9.224 -2.238 -9.161 1.00 50.43 C ATOM 1558 OG1 THR A 96 -9.823 -1.006 -9.584 1.00 21.30 O ATOM 1559 CG2 THR A 96 -9.493 -3.325 -10.225 1.00 64.12 C ATOM 0 H THR A 96 -8.493 -1.293 -6.749 1.00 11.54 H new ATOM 0 HA THR A 96 -10.852 -2.740 -7.844 1.00 12.20 H new ATOM 0 HB THR A 96 -8.143 -2.137 -9.070 1.00 50.43 H new ATOM 0 HG1 THR A 96 -9.481 -0.763 -10.470 1.00 21.30 H new ATOM 0 HG21 THR A 96 -9.090 -3.002 -11.185 1.00 64.12 H new ATOM 0 HG22 THR A 96 -9.012 -4.256 -9.924 1.00 64.12 H new ATOM 0 HG23 THR A 96 -10.567 -3.485 -10.318 1.00 64.12 H new ATOM 1567 N THR A 97 -9.958 -4.895 -6.858 1.00 54.30 N ATOM 1568 CA THR A 97 -9.491 -6.176 -6.316 1.00 50.41 C ATOM 1569 C THR A 97 -9.968 -7.311 -7.233 1.00 32.23 C ATOM 1570 O THR A 97 -11.136 -7.335 -7.658 1.00 32.23 O ATOM 1571 CB THR A 97 -9.967 -6.392 -4.825 1.00 13.24 C ATOM 1572 OG1 THR A 97 -9.310 -7.530 -4.236 1.00 72.23 O ATOM 1573 CG2 THR A 97 -11.491 -6.561 -4.677 1.00 71.45 C ATOM 0 H THR A 97 -10.974 -4.818 -6.913 1.00 54.30 H new ATOM 0 HA THR A 97 -8.401 -6.172 -6.289 1.00 50.41 H new ATOM 0 HB THR A 97 -9.689 -5.478 -4.300 1.00 13.24 H new ATOM 0 HG1 THR A 97 -8.397 -7.284 -3.979 1.00 72.23 H new ATOM 0 HG21 THR A 97 -11.741 -6.705 -3.626 1.00 71.45 H new ATOM 0 HG22 THR A 97 -11.994 -5.669 -5.051 1.00 71.45 H new ATOM 0 HG23 THR A 97 -11.818 -7.429 -5.250 1.00 71.45 H new ATOM 1581 N ASP A 98 -9.017 -8.191 -7.594 1.00 25.02 N ATOM 1582 CA ASP A 98 -9.284 -9.465 -8.296 1.00 61.01 C ATOM 1583 C ASP A 98 -9.767 -9.236 -9.751 1.00 1.25 C ATOM 1584 O ASP A 98 -9.647 -8.123 -10.283 1.00 54.01 O ATOM 1585 CB ASP A 98 -10.262 -10.368 -7.460 1.00 70.21 C ATOM 1586 CG ASP A 98 -9.869 -11.856 -7.479 1.00 4.32 C ATOM 1587 OD1 ASP A 98 -9.041 -12.271 -6.640 1.00 2.01 O ATOM 1588 OD2 ASP A 98 -10.386 -12.611 -8.312 1.00 53.34 O ATOM 0 H ASP A 98 -8.027 -8.038 -7.405 1.00 25.02 H new ATOM 0 HA ASP A 98 -8.343 -10.008 -8.381 1.00 61.01 H new ATOM 0 HB2 ASP A 98 -10.281 -10.016 -6.429 1.00 70.21 H new ATOM 0 HB3 ASP A 98 -11.273 -10.260 -7.853 1.00 70.21 H new ATOM 1593 N GLY A 99 -10.281 -10.306 -10.400 1.00 21.53 N ATOM 1594 CA GLY A 99 -10.638 -10.265 -11.823 1.00 22.20 C ATOM 1595 C GLY A 99 -9.432 -10.578 -12.694 1.00 42.24 C ATOM 1596 O GLY A 99 -9.454 -11.519 -13.500 1.00 20.34 O ATOM 0 H GLY A 99 -10.455 -11.206 -9.953 1.00 21.53 H new ATOM 0 HA2 GLY A 99 -11.433 -10.984 -12.024 1.00 22.20 H new ATOM 0 HA3 GLY A 99 -11.028 -9.279 -12.076 1.00 22.20 H new ATOM 1600 N ASP A 100 -8.370 -9.782 -12.511 1.00 22.40 N ATOM 1601 CA ASP A 100 -7.072 -9.987 -13.157 1.00 23.43 C ATOM 1602 C ASP A 100 -5.959 -9.632 -12.153 1.00 30.24 C ATOM 1603 O ASP A 100 -5.287 -10.523 -11.622 1.00 52.43 O ATOM 1604 CB ASP A 100 -6.981 -9.127 -14.453 1.00 24.42 C ATOM 1605 CG ASP A 100 -5.663 -9.324 -15.218 1.00 1.13 C ATOM 1606 OD1 ASP A 100 -5.486 -10.399 -15.825 1.00 24.33 O ATOM 1607 OD2 ASP A 100 -4.804 -8.420 -15.218 1.00 33.05 O ATOM 0 H ASP A 100 -8.392 -8.966 -11.900 1.00 22.40 H new ATOM 0 HA ASP A 100 -6.953 -11.029 -13.452 1.00 23.43 H new ATOM 0 HB2 ASP A 100 -7.815 -9.379 -15.108 1.00 24.42 H new ATOM 0 HB3 ASP A 100 -7.088 -8.074 -14.191 1.00 24.42 H new ATOM 1612 N THR A 101 -5.819 -8.329 -11.855 1.00 15.22 N ATOM 1613 CA THR A 101 -4.760 -7.797 -10.970 1.00 61.45 C ATOM 1614 C THR A 101 -5.391 -7.021 -9.783 1.00 20.31 C ATOM 1615 O THR A 101 -6.557 -6.604 -9.833 1.00 31.44 O ATOM 1616 CB THR A 101 -3.779 -6.880 -11.799 1.00 15.04 C ATOM 1617 OG1 THR A 101 -3.183 -7.659 -12.849 1.00 11.42 O ATOM 1618 CG2 THR A 101 -2.647 -6.261 -10.953 1.00 24.40 C ATOM 0 H THR A 101 -6.440 -7.608 -12.222 1.00 15.22 H new ATOM 0 HA THR A 101 -4.185 -8.626 -10.558 1.00 61.45 H new ATOM 0 HB THR A 101 -4.379 -6.058 -12.189 1.00 15.04 H new ATOM 0 HG1 THR A 101 -3.851 -7.838 -13.543 1.00 11.42 H new ATOM 0 HG21 THR A 101 -2.013 -5.644 -11.589 1.00 24.40 H new ATOM 0 HG22 THR A 101 -3.078 -5.645 -10.164 1.00 24.40 H new ATOM 0 HG23 THR A 101 -2.049 -7.056 -10.507 1.00 24.40 H new ATOM 1626 N PHE A 102 -4.618 -6.895 -8.702 1.00 32.43 N ATOM 1627 CA PHE A 102 -4.939 -6.043 -7.549 1.00 41.12 C ATOM 1628 C PHE A 102 -4.293 -4.666 -7.770 1.00 22.33 C ATOM 1629 O PHE A 102 -3.063 -4.557 -7.763 1.00 42.12 O ATOM 1630 CB PHE A 102 -4.372 -6.701 -6.269 1.00 32.14 C ATOM 1631 CG PHE A 102 -4.851 -6.114 -4.953 1.00 12.23 C ATOM 1632 CD1 PHE A 102 -6.141 -6.372 -4.496 1.00 61.13 C ATOM 1633 CD2 PHE A 102 -4.012 -5.337 -4.160 1.00 72.33 C ATOM 1634 CE1 PHE A 102 -6.577 -5.869 -3.294 1.00 63.11 C ATOM 1635 CE2 PHE A 102 -4.449 -4.840 -2.957 1.00 74.51 C ATOM 1636 CZ PHE A 102 -5.733 -5.106 -2.525 1.00 30.31 C ATOM 0 H PHE A 102 -3.733 -7.391 -8.599 1.00 32.43 H new ATOM 0 HA PHE A 102 -6.017 -5.926 -7.441 1.00 41.12 H new ATOM 0 HB2 PHE A 102 -4.626 -7.761 -6.286 1.00 32.14 H new ATOM 0 HB3 PHE A 102 -3.285 -6.633 -6.300 1.00 32.14 H new ATOM 0 HD1 PHE A 102 -6.808 -6.975 -5.094 1.00 61.13 H new ATOM 0 HD2 PHE A 102 -3.008 -5.123 -4.494 1.00 72.33 H new ATOM 0 HE1 PHE A 102 -7.582 -6.073 -2.955 1.00 63.11 H new ATOM 0 HE2 PHE A 102 -3.788 -4.241 -2.348 1.00 74.51 H new ATOM 0 HZ PHE A 102 -6.075 -4.713 -1.579 1.00 30.31 H new ATOM 1646 N GLU A 103 -5.119 -3.644 -8.010 1.00 1.35 N ATOM 1647 CA GLU A 103 -4.663 -2.253 -8.172 1.00 71.04 C ATOM 1648 C GLU A 103 -5.447 -1.384 -7.185 1.00 4.24 C ATOM 1649 O GLU A 103 -6.647 -1.179 -7.363 1.00 12.13 O ATOM 1650 CB GLU A 103 -4.935 -1.783 -9.629 1.00 60.30 C ATOM 1651 CG GLU A 103 -4.502 -0.329 -9.956 1.00 52.12 C ATOM 1652 CD GLU A 103 -2.983 -0.125 -10.047 1.00 44.12 C ATOM 1653 OE1 GLU A 103 -2.344 -0.825 -10.852 1.00 34.50 O ATOM 1654 OE2 GLU A 103 -2.431 0.770 -9.373 1.00 44.40 O ATOM 0 H GLU A 103 -6.129 -3.755 -8.099 1.00 1.35 H new ATOM 0 HA GLU A 103 -3.594 -2.173 -7.976 1.00 71.04 H new ATOM 0 HB2 GLU A 103 -4.420 -2.459 -10.312 1.00 60.30 H new ATOM 0 HB3 GLU A 103 -6.002 -1.879 -9.830 1.00 60.30 H new ATOM 0 HG2 GLU A 103 -4.954 -0.033 -10.903 1.00 52.12 H new ATOM 0 HG3 GLU A 103 -4.901 0.337 -9.190 1.00 52.12 H new ATOM 1661 N VAL A 104 -4.767 -0.891 -6.145 1.00 4.42 N ATOM 1662 CA VAL A 104 -5.354 0.046 -5.168 1.00 15.00 C ATOM 1663 C VAL A 104 -4.498 1.316 -5.137 1.00 72.32 C ATOM 1664 O VAL A 104 -3.381 1.315 -4.616 1.00 63.41 O ATOM 1665 CB VAL A 104 -5.464 -0.600 -3.730 1.00 23.32 C ATOM 1666 CG1 VAL A 104 -5.939 0.422 -2.663 1.00 21.13 C ATOM 1667 CG2 VAL A 104 -6.394 -1.831 -3.764 1.00 40.14 C ATOM 0 H VAL A 104 -3.794 -1.127 -5.952 1.00 4.42 H new ATOM 0 HA VAL A 104 -6.370 0.292 -5.475 1.00 15.00 H new ATOM 0 HB VAL A 104 -4.464 -0.921 -3.439 1.00 23.32 H new ATOM 0 HG11 VAL A 104 -5.999 -0.068 -1.691 1.00 21.13 H new ATOM 0 HG12 VAL A 104 -5.230 1.248 -2.609 1.00 21.13 H new ATOM 0 HG13 VAL A 104 -6.922 0.805 -2.938 1.00 21.13 H new ATOM 0 HG21 VAL A 104 -6.460 -2.265 -2.766 1.00 40.14 H new ATOM 0 HG22 VAL A 104 -7.388 -1.527 -4.094 1.00 40.14 H new ATOM 0 HG23 VAL A 104 -5.993 -2.571 -4.456 1.00 40.14 H new ATOM 1677 N GLU A 105 -5.042 2.396 -5.706 1.00 34.51 N ATOM 1678 CA GLU A 105 -4.355 3.686 -5.809 1.00 22.54 C ATOM 1679 C GLU A 105 -4.792 4.574 -4.651 1.00 0.23 C ATOM 1680 O GLU A 105 -5.964 4.974 -4.575 1.00 12.05 O ATOM 1681 CB GLU A 105 -4.680 4.356 -7.167 1.00 70.31 C ATOM 1682 CG GLU A 105 -4.344 3.475 -8.378 1.00 72.34 C ATOM 1683 CD GLU A 105 -4.653 4.144 -9.722 1.00 72.03 C ATOM 1684 OE1 GLU A 105 -3.904 5.052 -10.119 1.00 53.51 O ATOM 1685 OE2 GLU A 105 -5.624 3.751 -10.394 1.00 61.11 O ATOM 0 H GLU A 105 -5.978 2.399 -6.111 1.00 34.51 H new ATOM 0 HA GLU A 105 -3.277 3.535 -5.757 1.00 22.54 H new ATOM 0 HB2 GLU A 105 -5.740 4.609 -7.194 1.00 70.31 H new ATOM 0 HB3 GLU A 105 -4.127 5.292 -7.243 1.00 70.31 H new ATOM 0 HG2 GLU A 105 -3.286 3.214 -8.345 1.00 72.34 H new ATOM 0 HG3 GLU A 105 -4.905 2.543 -8.307 1.00 72.34 H new ATOM 1692 N VAL A 106 -3.847 4.895 -3.762 1.00 72.24 N ATOM 1693 CA VAL A 106 -4.087 5.801 -2.649 1.00 44.01 C ATOM 1694 C VAL A 106 -3.657 7.190 -3.123 1.00 23.33 C ATOM 1695 O VAL A 106 -2.474 7.531 -3.085 1.00 5.15 O ATOM 1696 CB VAL A 106 -3.251 5.386 -1.365 1.00 24.24 C ATOM 1697 CG1 VAL A 106 -3.749 6.138 -0.111 1.00 73.52 C ATOM 1698 CG2 VAL A 106 -3.233 3.849 -1.145 1.00 1.15 C ATOM 0 H VAL A 106 -2.895 4.530 -3.799 1.00 72.24 H new ATOM 0 HA VAL A 106 -5.138 5.775 -2.362 1.00 44.01 H new ATOM 0 HB VAL A 106 -2.218 5.684 -1.543 1.00 24.24 H new ATOM 0 HG11 VAL A 106 -3.159 5.834 0.754 1.00 73.52 H new ATOM 0 HG12 VAL A 106 -3.642 7.212 -0.264 1.00 73.52 H new ATOM 0 HG13 VAL A 106 -4.798 5.899 0.064 1.00 73.52 H new ATOM 0 HG21 VAL A 106 -2.649 3.616 -0.255 1.00 1.15 H new ATOM 0 HG22 VAL A 106 -4.253 3.488 -1.014 1.00 1.15 H new ATOM 0 HG23 VAL A 106 -2.784 3.363 -2.011 1.00 1.15 H new ATOM 1708 N ILE A 107 -4.626 8.006 -3.543 1.00 31.21 N ATOM 1709 CA ILE A 107 -4.340 9.286 -4.196 1.00 73.04 C ATOM 1710 C ILE A 107 -4.384 10.387 -3.142 1.00 3.03 C ATOM 1711 O ILE A 107 -5.454 10.873 -2.780 1.00 13.04 O ATOM 1712 CB ILE A 107 -5.347 9.557 -5.379 1.00 22.41 C ATOM 1713 CG1 ILE A 107 -5.236 8.411 -6.443 1.00 43.55 C ATOM 1714 CG2 ILE A 107 -5.105 10.951 -6.011 1.00 51.40 C ATOM 1715 CD1 ILE A 107 -6.189 8.518 -7.627 1.00 45.01 C ATOM 0 H ILE A 107 -5.620 7.802 -3.442 1.00 31.21 H new ATOM 0 HA ILE A 107 -3.346 9.263 -4.642 1.00 73.04 H new ATOM 0 HB ILE A 107 -6.363 9.561 -4.984 1.00 22.41 H new ATOM 0 HG12 ILE A 107 -4.214 8.390 -6.823 1.00 43.55 H new ATOM 0 HG13 ILE A 107 -5.411 7.458 -5.944 1.00 43.55 H new ATOM 0 HG21 ILE A 107 -5.814 11.110 -6.824 1.00 51.40 H new ATOM 0 HG22 ILE A 107 -5.242 11.723 -5.254 1.00 51.40 H new ATOM 0 HG23 ILE A 107 -4.088 11.002 -6.401 1.00 51.40 H new ATOM 0 HD11 ILE A 107 -6.028 7.676 -8.301 1.00 45.01 H new ATOM 0 HD12 ILE A 107 -7.218 8.504 -7.268 1.00 45.01 H new ATOM 0 HD13 ILE A 107 -6.003 9.450 -8.160 1.00 45.01 H new ATOM 1727 N LEU A 108 -3.205 10.748 -2.632 1.00 2.41 N ATOM 1728 CA LEU A 108 -3.072 11.708 -1.538 1.00 32.31 C ATOM 1729 C LEU A 108 -2.735 13.084 -2.121 1.00 51.22 C ATOM 1730 O LEU A 108 -1.586 13.378 -2.441 1.00 1.23 O ATOM 1731 CB LEU A 108 -1.974 11.198 -0.564 1.00 20.14 C ATOM 1732 CG LEU A 108 -2.205 9.754 -0.017 1.00 12.24 C ATOM 1733 CD1 LEU A 108 -1.036 9.273 0.849 1.00 14.40 C ATOM 1734 CD2 LEU A 108 -3.542 9.655 0.741 1.00 33.22 C ATOM 0 H LEU A 108 -2.314 10.381 -2.968 1.00 2.41 H new ATOM 0 HA LEU A 108 -4.003 11.805 -0.979 1.00 32.31 H new ATOM 0 HB2 LEU A 108 -1.012 11.228 -1.075 1.00 20.14 H new ATOM 0 HB3 LEU A 108 -1.909 11.885 0.280 1.00 20.14 H new ATOM 0 HG LEU A 108 -2.257 9.088 -0.878 1.00 12.24 H new ATOM 0 HD11 LEU A 108 -1.240 8.264 1.208 1.00 14.40 H new ATOM 0 HD12 LEU A 108 -0.121 9.269 0.256 1.00 14.40 H new ATOM 0 HD13 LEU A 108 -0.914 9.943 1.700 1.00 14.40 H new ATOM 0 HD21 LEU A 108 -3.676 8.638 1.111 1.00 33.22 H new ATOM 0 HD22 LEU A 108 -3.536 10.349 1.582 1.00 33.22 H new ATOM 0 HD23 LEU A 108 -4.361 9.908 0.068 1.00 33.22 H new ATOM 1746 N GLU A 109 -3.759 13.934 -2.245 1.00 52.22 N ATOM 1747 CA GLU A 109 -3.624 15.271 -2.829 1.00 15.22 C ATOM 1748 C GLU A 109 -3.112 16.250 -1.765 1.00 64.32 C ATOM 1749 O GLU A 109 -3.907 16.867 -1.048 1.00 3.23 O ATOM 1750 CB GLU A 109 -4.996 15.725 -3.401 1.00 33.33 C ATOM 1751 CG GLU A 109 -5.578 14.787 -4.485 1.00 51.14 C ATOM 1752 CD GLU A 109 -7.006 15.167 -4.921 1.00 61.30 C ATOM 1753 OE1 GLU A 109 -7.164 16.107 -5.729 1.00 43.24 O ATOM 1754 OE2 GLU A 109 -7.983 14.535 -4.447 1.00 34.42 O ATOM 0 H GLU A 109 -4.708 13.713 -1.942 1.00 52.22 H new ATOM 0 HA GLU A 109 -2.902 15.251 -3.645 1.00 15.22 H new ATOM 0 HB2 GLU A 109 -5.711 15.801 -2.581 1.00 33.33 H new ATOM 0 HB3 GLU A 109 -4.888 16.724 -3.823 1.00 33.33 H new ATOM 0 HG2 GLU A 109 -4.924 14.802 -5.357 1.00 51.14 H new ATOM 0 HG3 GLU A 109 -5.582 13.765 -4.106 1.00 51.14 H new ATOM 1761 N LEU A 110 -1.779 16.317 -1.598 1.00 55.40 N ATOM 1762 CA LEU A 110 -1.148 17.267 -0.676 1.00 73.50 C ATOM 1763 C LEU A 110 -0.988 18.642 -1.368 1.00 53.32 C ATOM 1764 O LEU A 110 0.121 19.101 -1.682 1.00 41.44 O ATOM 1765 CB LEU A 110 0.194 16.708 -0.095 1.00 12.33 C ATOM 1766 CG LEU A 110 0.082 15.506 0.930 1.00 35.32 C ATOM 1767 CD1 LEU A 110 -1.085 15.695 1.922 1.00 3.34 C ATOM 1768 CD2 LEU A 110 0.013 14.134 0.236 1.00 30.12 C ATOM 0 H LEU A 110 -1.118 15.719 -2.094 1.00 55.40 H new ATOM 0 HA LEU A 110 -1.798 17.410 0.187 1.00 73.50 H new ATOM 0 HB2 LEU A 110 0.818 16.386 -0.929 1.00 12.33 H new ATOM 0 HB3 LEU A 110 0.718 17.527 0.398 1.00 12.33 H new ATOM 0 HG LEU A 110 1.007 15.519 1.507 1.00 35.32 H new ATOM 0 HD11 LEU A 110 -1.123 14.847 2.605 1.00 3.34 H new ATOM 0 HD12 LEU A 110 -0.934 16.613 2.491 1.00 3.34 H new ATOM 0 HD13 LEU A 110 -2.024 15.760 1.372 1.00 3.34 H new ATOM 0 HD21 LEU A 110 -0.063 13.349 0.988 1.00 30.12 H new ATOM 0 HD22 LEU A 110 -0.861 14.099 -0.414 1.00 30.12 H new ATOM 0 HD23 LEU A 110 0.914 13.981 -0.358 1.00 30.12 H new