USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 751 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 19 HIS : no HE2:sc= -4.89 K(o=-5.4,f=-10!) USER MOD Set 1.2: A 82 TYR OH : rot -8:sc= -0.476 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 37 LYS NZ :NH3+ 160:sc= -0.114 (180deg=-0.536) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.406 X(o=-0.41,f=-0.017) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0.047) USER MOD Single : A 57 ASN :FLIP amide:sc=-0.00467 F(o=-0.51,f=-0.0047) USER MOD Single : A 58 MET CE :methyl -166:sc= 0 (180deg=-0.157) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.014 USER MOD Single : A 65 CYS SG : rot 57:sc= -0.136 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 70 CYS SG : rot 180:sc= -0.0105 USER MOD Single : A 71 MET CE :methyl -152:sc= -1.86 (180deg=-3.68!) USER MOD Single : A 72 TYR OH : rot 12:sc= -1.15 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot -81:sc= 0.148 USER MOD Single : A 87 GLN : amide:sc= -0.143 K(o=-0.14,f=-1.2) USER MOD Single : A 88 GLN : amide:sc= -0.0269 X(o=-0.027,f=-0.38) USER MOD Single : A 91 LYS NZ :NH3+ 154:sc= -0.0819 (180deg=-0.409) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 68 N VAL A 8 -3.487 -12.137 0.904 1.00 0.00 N ATOM 69 CA VAL A 8 -2.649 -10.944 0.902 1.00 0.00 C ATOM 70 C VAL A 8 -1.432 -11.131 0.003 1.00 0.00 C ATOM 71 O VAL A 8 -0.932 -10.174 -0.589 1.00 0.00 O ATOM 72 CB VAL A 8 -2.173 -10.587 2.322 1.00 0.00 C ATOM 73 CG1 VAL A 8 -1.472 -9.239 2.328 1.00 0.00 C ATOM 74 CG2 VAL A 8 -3.343 -10.593 3.294 1.00 0.00 C ATOM 0 HA VAL A 8 -3.262 -10.128 0.518 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.457 -11.343 2.646 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.143 -9.004 3.340 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -0.608 -9.275 1.665 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.162 -8.469 1.983 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.988 -10.339 4.293 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -4.085 -9.861 2.975 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -3.796 -11.584 3.312 1.00 0.00 H new ATOM 84 N SER A 9 -0.960 -12.369 -0.095 1.00 0.00 N ATOM 85 CA SER A 9 0.200 -12.682 -0.923 1.00 0.00 C ATOM 86 C SER A 9 -0.213 -12.914 -2.372 1.00 0.00 C ATOM 87 O SER A 9 0.546 -12.625 -3.298 1.00 0.00 O ATOM 88 CB SER A 9 0.921 -13.917 -0.382 1.00 0.00 C ATOM 89 OG SER A 9 2.158 -14.117 -1.043 1.00 0.00 O ATOM 0 H SER A 9 -1.362 -13.172 0.388 1.00 0.00 H new ATOM 0 HA SER A 9 0.879 -11.830 -0.890 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.092 -13.802 0.688 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.290 -14.796 -0.512 1.00 0.00 H new ATOM 0 HG SER A 9 2.599 -14.912 -0.677 1.00 0.00 H new ATOM 95 N GLN A 10 -1.419 -13.438 -2.563 1.00 0.00 N ATOM 96 CA GLN A 10 -1.932 -13.709 -3.900 1.00 0.00 C ATOM 97 C GLN A 10 -2.183 -12.410 -4.661 1.00 0.00 C ATOM 98 O GLN A 10 -2.055 -12.361 -5.884 1.00 0.00 O ATOM 99 CB GLN A 10 -3.224 -14.526 -3.817 1.00 0.00 C ATOM 100 CG GLN A 10 -3.246 -15.725 -4.752 1.00 0.00 C ATOM 101 CD GLN A 10 -4.398 -15.677 -5.738 1.00 0.00 C ATOM 102 OE1 GLN A 10 -5.466 -16.237 -5.489 1.00 0.00 O ATOM 103 NE2 GLN A 10 -4.186 -15.007 -6.864 1.00 0.00 N ATOM 0 H GLN A 10 -2.059 -13.683 -1.808 1.00 0.00 H new ATOM 0 HA GLN A 10 -1.181 -14.285 -4.441 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -3.360 -14.872 -2.792 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.069 -13.878 -4.050 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.305 -15.770 -5.301 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -3.315 -16.639 -4.162 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -3.285 -14.558 -7.028 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -4.924 -14.941 -7.565 1.00 0.00 H new ATOM 112 N ARG A 11 -2.543 -11.362 -3.928 1.00 0.00 N ATOM 113 CA ARG A 11 -2.812 -10.062 -4.532 1.00 0.00 C ATOM 114 C ARG A 11 -1.518 -9.396 -4.990 1.00 0.00 C ATOM 115 O ARG A 11 -0.453 -9.628 -4.416 1.00 0.00 O ATOM 116 CB ARG A 11 -3.544 -9.156 -3.540 1.00 0.00 C ATOM 117 CG ARG A 11 -4.882 -9.711 -3.081 1.00 0.00 C ATOM 118 CD ARG A 11 -5.905 -9.699 -4.206 1.00 0.00 C ATOM 119 NE ARG A 11 -6.868 -10.791 -4.082 1.00 0.00 N ATOM 120 CZ ARG A 11 -7.631 -11.222 -5.084 1.00 0.00 C ATOM 121 NH1 ARG A 11 -7.547 -10.659 -6.282 1.00 0.00 N ATOM 122 NH2 ARG A 11 -8.480 -12.221 -4.886 1.00 0.00 N ATOM 0 H ARG A 11 -2.655 -11.387 -2.915 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.446 -10.219 -5.404 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.908 -8.997 -2.669 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -3.703 -8.181 -4.001 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -4.749 -10.731 -2.719 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.254 -9.121 -2.243 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.435 -8.746 -4.204 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -5.391 -9.776 -5.164 1.00 0.00 H new ATOM 0 HE ARG A 11 -6.961 -11.249 -3.176 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -6.895 -9.891 -6.440 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -8.135 -10.994 -7.045 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -8.548 -12.658 -3.967 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -9.065 -12.552 -5.653 1.00 0.00 H new ATOM 136 N PRO A 12 -1.591 -8.554 -6.035 1.00 0.00 N ATOM 137 CA PRO A 12 -0.419 -7.852 -6.568 1.00 0.00 C ATOM 138 C PRO A 12 0.367 -7.126 -5.482 1.00 0.00 C ATOM 139 O PRO A 12 0.009 -7.176 -4.305 1.00 0.00 O ATOM 140 CB PRO A 12 -1.023 -6.848 -7.552 1.00 0.00 C ATOM 141 CG PRO A 12 -2.311 -7.464 -7.974 1.00 0.00 C ATOM 142 CD PRO A 12 -2.821 -8.219 -6.779 1.00 0.00 C ATOM 0 HA PRO A 12 0.294 -8.539 -7.023 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.183 -5.878 -7.081 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -0.364 -6.683 -8.405 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.024 -6.701 -8.287 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -2.164 -8.131 -8.823 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -3.500 -7.612 -6.180 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.369 -9.114 -7.073 1.00 0.00 H new ATOM 150 N PHE A 13 1.438 -6.451 -5.884 1.00 0.00 N ATOM 151 CA PHE A 13 2.274 -5.714 -4.943 1.00 0.00 C ATOM 152 C PHE A 13 1.659 -4.357 -4.618 1.00 0.00 C ATOM 153 O PHE A 13 1.529 -3.987 -3.450 1.00 0.00 O ATOM 154 CB PHE A 13 3.680 -5.525 -5.516 1.00 0.00 C ATOM 155 CG PHE A 13 4.653 -4.933 -4.536 1.00 0.00 C ATOM 156 CD1 PHE A 13 4.777 -5.457 -3.260 1.00 0.00 C ATOM 157 CD2 PHE A 13 5.442 -3.851 -4.892 1.00 0.00 C ATOM 158 CE1 PHE A 13 5.671 -4.915 -2.357 1.00 0.00 C ATOM 159 CE2 PHE A 13 6.338 -3.304 -3.993 1.00 0.00 C ATOM 160 CZ PHE A 13 6.453 -3.836 -2.724 1.00 0.00 C ATOM 0 H PHE A 13 1.748 -6.399 -6.854 1.00 0.00 H new ATOM 0 HA PHE A 13 2.340 -6.294 -4.022 1.00 0.00 H new ATOM 0 HB2 PHE A 13 4.059 -6.490 -5.854 1.00 0.00 H new ATOM 0 HB3 PHE A 13 3.623 -4.880 -6.393 1.00 0.00 H new ATOM 0 HD1 PHE A 13 4.168 -6.299 -2.967 1.00 0.00 H new ATOM 0 HD2 PHE A 13 5.356 -3.430 -5.883 1.00 0.00 H new ATOM 0 HE1 PHE A 13 5.759 -5.334 -1.365 1.00 0.00 H new ATOM 0 HE2 PHE A 13 6.948 -2.461 -4.283 1.00 0.00 H new ATOM 0 HZ PHE A 13 7.152 -3.410 -2.020 1.00 0.00 H new ATOM 170 N ARG A 14 1.280 -3.620 -5.656 1.00 0.00 N ATOM 171 CA ARG A 14 0.677 -2.303 -5.479 1.00 0.00 C ATOM 172 C ARG A 14 -0.607 -2.400 -4.661 1.00 0.00 C ATOM 173 O ARG A 14 -0.953 -1.480 -3.920 1.00 0.00 O ATOM 174 CB ARG A 14 0.382 -1.667 -6.838 1.00 0.00 C ATOM 175 CG ARG A 14 -0.117 -0.235 -6.744 1.00 0.00 C ATOM 176 CD ARG A 14 -0.316 0.378 -8.121 1.00 0.00 C ATOM 177 NE ARG A 14 0.944 0.511 -8.848 1.00 0.00 N ATOM 178 CZ ARG A 14 1.118 1.323 -9.888 1.00 0.00 C ATOM 179 NH1 ARG A 14 0.116 2.075 -10.328 1.00 0.00 N ATOM 180 NH2 ARG A 14 2.298 1.384 -10.492 1.00 0.00 N ATOM 0 H ARG A 14 1.379 -3.911 -6.628 1.00 0.00 H new ATOM 0 HA ARG A 14 1.386 -1.675 -4.939 1.00 0.00 H new ATOM 0 HB2 ARG A 14 1.288 -1.688 -7.444 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -0.363 -2.269 -7.358 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -1.058 -0.212 -6.195 1.00 0.00 H new ATOM 0 HG3 ARG A 14 0.597 0.364 -6.178 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -1.004 -0.241 -8.697 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -0.780 1.359 -8.018 1.00 0.00 H new ATOM 0 HE ARG A 14 1.737 -0.052 -8.540 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -0.794 2.032 -9.868 1.00 0.00 H new ATOM 0 HH12 ARG A 14 0.256 2.695 -11.126 1.00 0.00 H new ATOM 0 HH21 ARG A 14 3.072 0.809 -10.159 1.00 0.00 H new ATOM 0 HH22 ARG A 14 2.431 2.006 -11.289 1.00 0.00 H new ATOM 194 N ASP A 15 -1.307 -3.521 -4.800 1.00 0.00 N ATOM 195 CA ASP A 15 -2.553 -3.739 -4.073 1.00 0.00 C ATOM 196 C ASP A 15 -2.296 -3.837 -2.573 1.00 0.00 C ATOM 197 O ASP A 15 -3.080 -3.339 -1.764 1.00 0.00 O ATOM 198 CB ASP A 15 -3.240 -5.013 -4.567 1.00 0.00 C ATOM 199 CG ASP A 15 -3.665 -4.914 -6.020 1.00 0.00 C ATOM 200 OD1 ASP A 15 -2.986 -4.203 -6.790 1.00 0.00 O ATOM 201 OD2 ASP A 15 -4.676 -5.549 -6.387 1.00 0.00 O ATOM 0 H ASP A 15 -1.033 -4.292 -5.409 1.00 0.00 H new ATOM 0 HA ASP A 15 -3.207 -2.887 -4.258 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -2.562 -5.858 -4.446 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -4.114 -5.214 -3.948 1.00 0.00 H new ATOM 206 N ARG A 16 -1.191 -4.480 -2.208 1.00 0.00 N ATOM 207 CA ARG A 16 -0.830 -4.643 -0.804 1.00 0.00 C ATOM 208 C ARG A 16 -0.486 -3.299 -0.172 1.00 0.00 C ATOM 209 O ARG A 16 -0.873 -3.019 0.963 1.00 0.00 O ATOM 210 CB ARG A 16 0.354 -5.603 -0.669 1.00 0.00 C ATOM 211 CG ARG A 16 -0.032 -7.068 -0.807 1.00 0.00 C ATOM 212 CD ARG A 16 1.009 -7.848 -1.595 1.00 0.00 C ATOM 213 NE ARG A 16 2.065 -8.374 -0.735 1.00 0.00 N ATOM 214 CZ ARG A 16 3.154 -8.991 -1.191 1.00 0.00 C ATOM 215 NH1 ARG A 16 3.332 -9.159 -2.496 1.00 0.00 N ATOM 216 NH2 ARG A 16 4.066 -9.439 -0.340 1.00 0.00 N ATOM 0 H ARG A 16 -0.531 -4.896 -2.864 1.00 0.00 H new ATOM 0 HA ARG A 16 -1.689 -5.061 -0.279 1.00 0.00 H new ATOM 0 HB2 ARG A 16 1.098 -5.359 -1.428 1.00 0.00 H new ATOM 0 HB3 ARG A 16 0.826 -5.450 0.301 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -0.146 -7.510 0.183 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.999 -7.145 -1.304 1.00 0.00 H new ATOM 0 HD2 ARG A 16 0.525 -8.672 -2.119 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.448 -7.201 -2.354 1.00 0.00 H new ATOM 0 HE ARG A 16 1.963 -8.263 0.274 1.00 0.00 H new ATOM 0 HH11 ARG A 16 2.633 -8.815 -3.155 1.00 0.00 H new ATOM 0 HH12 ARG A 16 4.168 -9.632 -2.840 1.00 0.00 H new ATOM 0 HH21 ARG A 16 3.934 -9.311 0.663 1.00 0.00 H new ATOM 0 HH22 ARG A 16 4.900 -9.912 -0.688 1.00 0.00 H new ATOM 230 N VAL A 17 0.245 -2.472 -0.912 1.00 0.00 N ATOM 231 CA VAL A 17 0.641 -1.157 -0.424 1.00 0.00 C ATOM 232 C VAL A 17 -0.513 -0.164 -0.523 1.00 0.00 C ATOM 233 O VAL A 17 -0.695 0.682 0.351 1.00 0.00 O ATOM 234 CB VAL A 17 1.845 -0.605 -1.209 1.00 0.00 C ATOM 235 CG1 VAL A 17 2.368 0.668 -0.562 1.00 0.00 C ATOM 236 CG2 VAL A 17 2.945 -1.652 -1.306 1.00 0.00 C ATOM 0 H VAL A 17 0.575 -2.690 -1.852 1.00 0.00 H new ATOM 0 HA VAL A 17 0.924 -1.280 0.621 1.00 0.00 H new ATOM 0 HB VAL A 17 1.515 -0.362 -2.219 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.219 1.043 -1.131 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.580 1.421 -0.550 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.681 0.455 0.460 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.788 -1.244 -1.864 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.273 -1.929 -0.304 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.563 -2.534 -1.819 1.00 0.00 H new ATOM 246 N LEU A 18 -1.291 -0.275 -1.596 1.00 0.00 N ATOM 247 CA LEU A 18 -2.428 0.612 -1.809 1.00 0.00 C ATOM 248 C LEU A 18 -3.433 0.495 -0.668 1.00 0.00 C ATOM 249 O LEU A 18 -4.117 1.459 -0.327 1.00 0.00 O ATOM 250 CB LEU A 18 -3.111 0.290 -3.141 1.00 0.00 C ATOM 251 CG LEU A 18 -4.352 1.128 -3.452 1.00 0.00 C ATOM 252 CD1 LEU A 18 -3.953 2.476 -4.033 1.00 0.00 C ATOM 253 CD2 LEU A 18 -5.271 0.384 -4.409 1.00 0.00 C ATOM 0 H LEU A 18 -1.154 -0.970 -2.330 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.056 1.636 -1.837 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.388 0.427 -3.945 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.393 -0.763 -3.142 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.893 1.302 -2.522 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.849 3.059 -4.248 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.334 3.013 -3.314 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.390 2.323 -4.954 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.149 0.995 -4.619 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.740 0.180 -5.339 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.584 -0.557 -3.956 1.00 0.00 H new ATOM 265 N HIS A 19 -3.516 -0.695 -0.081 1.00 0.00 N ATOM 266 CA HIS A 19 -4.437 -0.939 1.023 1.00 0.00 C ATOM 267 C HIS A 19 -3.780 -0.611 2.361 1.00 0.00 C ATOM 268 O HIS A 19 -4.449 -0.185 3.303 1.00 0.00 O ATOM 269 CB HIS A 19 -4.902 -2.397 1.014 1.00 0.00 C ATOM 270 CG HIS A 19 -6.004 -2.666 0.037 1.00 0.00 C ATOM 271 ND1 HIS A 19 -5.802 -2.875 -1.310 1.00 0.00 N ATOM 272 CD2 HIS A 19 -7.344 -2.760 0.232 1.00 0.00 C ATOM 273 CE1 HIS A 19 -6.998 -3.083 -1.878 1.00 0.00 C ATOM 274 NE2 HIS A 19 -7.967 -3.025 -0.984 1.00 0.00 N ATOM 0 H HIS A 19 -2.957 -1.504 -0.351 1.00 0.00 H new ATOM 0 HA HIS A 19 -5.302 -0.288 0.893 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -4.053 -3.039 0.778 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -5.239 -2.669 2.014 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -4.902 -2.872 -1.790 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -7.847 -2.647 1.181 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -7.149 -3.273 -2.930 1.00 0.00 H new ATOM 282 N LEU A 20 -2.469 -0.810 2.435 1.00 0.00 N ATOM 283 CA LEU A 20 -1.722 -0.533 3.657 1.00 0.00 C ATOM 284 C LEU A 20 -1.702 0.963 3.953 1.00 0.00 C ATOM 285 O LEU A 20 -2.062 1.394 5.049 1.00 0.00 O ATOM 286 CB LEU A 20 -0.291 -1.062 3.536 1.00 0.00 C ATOM 287 CG LEU A 20 -0.053 -2.438 4.161 1.00 0.00 C ATOM 288 CD1 LEU A 20 1.280 -3.009 3.702 1.00 0.00 C ATOM 289 CD2 LEU A 20 -0.103 -2.348 5.678 1.00 0.00 C ATOM 0 H LEU A 20 -1.901 -1.162 1.664 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.220 -1.042 4.482 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.026 -1.109 2.480 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.385 -0.346 4.003 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.845 -3.110 3.830 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.432 -3.988 4.157 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.279 -3.109 2.617 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.086 -2.340 4.003 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.068 -3.335 6.107 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.669 -1.662 6.027 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.082 -1.982 5.989 1.00 0.00 H new ATOM 301 N LEU A 21 -1.281 1.750 2.969 1.00 0.00 N ATOM 302 CA LEU A 21 -1.215 3.199 3.124 1.00 0.00 C ATOM 303 C LEU A 21 -2.594 3.778 3.426 1.00 0.00 C ATOM 304 O LEU A 21 -2.718 4.767 4.147 1.00 0.00 O ATOM 305 CB LEU A 21 -0.645 3.842 1.858 1.00 0.00 C ATOM 306 CG LEU A 21 0.701 3.281 1.395 1.00 0.00 C ATOM 307 CD1 LEU A 21 1.058 3.820 0.018 1.00 0.00 C ATOM 308 CD2 LEU A 21 1.794 3.614 2.403 1.00 0.00 C ATOM 0 H LEU A 21 -0.980 1.409 2.056 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.557 3.420 3.964 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.368 3.722 1.051 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.535 4.913 2.031 1.00 0.00 H new ATOM 0 HG LEU A 21 0.618 2.196 1.327 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.018 3.410 -0.295 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.289 3.529 -0.697 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.123 4.907 0.059 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.744 3.207 2.057 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.878 4.696 2.504 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.543 3.177 3.370 1.00 0.00 H new ATOM 320 N ALA A 22 -3.628 3.154 2.870 1.00 0.00 N ATOM 321 CA ALA A 22 -4.997 3.607 3.080 1.00 0.00 C ATOM 322 C ALA A 22 -5.385 3.511 4.551 1.00 0.00 C ATOM 323 O ALA A 22 -6.015 4.416 5.098 1.00 0.00 O ATOM 324 CB ALA A 22 -5.958 2.797 2.225 1.00 0.00 C ATOM 0 H ALA A 22 -3.543 2.333 2.271 1.00 0.00 H new ATOM 0 HA ALA A 22 -5.058 4.654 2.782 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.977 3.146 2.392 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.701 2.919 1.173 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.887 1.744 2.496 1.00 0.00 H new ATOM 330 N LEU A 23 -5.006 2.407 5.188 1.00 0.00 N ATOM 331 CA LEU A 23 -5.315 2.193 6.596 1.00 0.00 C ATOM 332 C LEU A 23 -4.609 3.223 7.472 1.00 0.00 C ATOM 333 O LEU A 23 -5.192 3.753 8.418 1.00 0.00 O ATOM 334 CB LEU A 23 -4.906 0.780 7.019 1.00 0.00 C ATOM 335 CG LEU A 23 -5.933 -0.311 6.712 1.00 0.00 C ATOM 336 CD1 LEU A 23 -5.455 -1.656 7.236 1.00 0.00 C ATOM 337 CD2 LEU A 23 -7.284 0.048 7.312 1.00 0.00 C ATOM 0 H LEU A 23 -4.484 1.647 4.751 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.391 2.308 6.728 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.969 0.526 6.523 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.709 0.781 8.091 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.045 -0.386 5.630 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.198 -2.420 7.009 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.509 -1.917 6.760 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.314 -1.597 8.315 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.004 -0.738 7.085 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.187 0.149 8.393 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.631 0.991 6.889 1.00 0.00 H new ATOM 349 N ARG A 24 -3.349 3.501 7.151 1.00 0.00 N ATOM 350 CA ARG A 24 -2.563 4.468 7.908 1.00 0.00 C ATOM 351 C ARG A 24 -1.204 4.698 7.252 1.00 0.00 C ATOM 352 O ARG A 24 -0.706 3.844 6.518 1.00 0.00 O ATOM 353 CB ARG A 24 -2.372 3.986 9.348 1.00 0.00 C ATOM 354 CG ARG A 24 -1.952 2.529 9.450 1.00 0.00 C ATOM 355 CD ARG A 24 -1.044 2.290 10.646 1.00 0.00 C ATOM 356 NE ARG A 24 -1.731 1.579 11.721 1.00 0.00 N ATOM 357 CZ ARG A 24 -2.533 2.167 12.606 1.00 0.00 C ATOM 358 NH1 ARG A 24 -2.752 3.474 12.550 1.00 0.00 N ATOM 359 NH2 ARG A 24 -3.119 1.443 13.551 1.00 0.00 N ATOM 0 H ARG A 24 -2.851 3.070 6.372 1.00 0.00 H new ATOM 0 HA ARG A 24 -3.107 5.413 7.917 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -1.620 4.607 9.834 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -3.304 4.126 9.896 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.838 1.900 9.534 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.436 2.234 8.536 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.173 1.716 10.331 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -0.678 3.246 11.020 1.00 0.00 H new ATOM 0 HE ARG A 24 -1.588 0.572 11.798 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -2.305 4.035 11.825 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -3.368 3.918 13.232 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -2.955 0.437 13.599 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -3.734 1.892 14.230 1.00 0.00 H new ATOM 373 N PRO A 25 -0.581 5.861 7.510 1.00 0.00 N ATOM 374 CA PRO A 25 0.727 6.201 6.941 1.00 0.00 C ATOM 375 C PRO A 25 1.769 5.116 7.197 1.00 0.00 C ATOM 376 O PRO A 25 1.918 4.637 8.321 1.00 0.00 O ATOM 377 CB PRO A 25 1.110 7.491 7.669 1.00 0.00 C ATOM 378 CG PRO A 25 -0.188 8.091 8.084 1.00 0.00 C ATOM 379 CD PRO A 25 -1.104 6.935 8.376 1.00 0.00 C ATOM 0 HA PRO A 25 0.684 6.306 5.857 1.00 0.00 H new ATOM 0 HB2 PRO A 25 1.745 7.286 8.531 1.00 0.00 H new ATOM 0 HB3 PRO A 25 1.666 8.164 7.016 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -0.063 8.722 8.964 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -0.596 8.723 7.295 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -1.074 6.654 9.429 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -2.141 7.174 8.139 1.00 0.00 H new ATOM 387 N TYR A 26 2.488 4.734 6.146 1.00 0.00 N ATOM 388 CA TYR A 26 3.516 3.706 6.257 1.00 0.00 C ATOM 389 C TYR A 26 4.844 4.204 5.694 1.00 0.00 C ATOM 390 O TYR A 26 4.958 4.483 4.500 1.00 0.00 O ATOM 391 CB TYR A 26 3.079 2.436 5.522 1.00 0.00 C ATOM 392 CG TYR A 26 2.492 1.382 6.434 1.00 0.00 C ATOM 393 CD1 TYR A 26 3.310 0.591 7.230 1.00 0.00 C ATOM 394 CD2 TYR A 26 1.119 1.178 6.497 1.00 0.00 C ATOM 395 CE1 TYR A 26 2.778 -0.374 8.063 1.00 0.00 C ATOM 396 CE2 TYR A 26 0.578 0.215 7.329 1.00 0.00 C ATOM 397 CZ TYR A 26 1.412 -0.558 8.110 1.00 0.00 C ATOM 398 OH TYR A 26 0.877 -1.517 8.939 1.00 0.00 O ATOM 0 H TYR A 26 2.377 5.121 5.209 1.00 0.00 H new ATOM 0 HA TYR A 26 3.653 3.475 7.313 1.00 0.00 H new ATOM 0 HB2 TYR A 26 2.342 2.700 4.764 1.00 0.00 H new ATOM 0 HB3 TYR A 26 3.938 2.015 4.999 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.380 0.733 7.197 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.464 1.781 5.886 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.429 -0.981 8.675 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.491 0.069 7.367 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.099 -1.516 8.853 1.00 0.00 H new ATOM 408 N ARG A 27 5.845 4.314 6.561 1.00 0.00 N ATOM 409 CA ARG A 27 7.164 4.779 6.150 1.00 0.00 C ATOM 410 C ARG A 27 7.816 3.786 5.193 1.00 0.00 C ATOM 411 O ARG A 27 7.219 2.772 4.833 1.00 0.00 O ATOM 412 CB ARG A 27 8.058 4.989 7.374 1.00 0.00 C ATOM 413 CG ARG A 27 7.392 5.786 8.485 1.00 0.00 C ATOM 414 CD ARG A 27 7.162 4.936 9.724 1.00 0.00 C ATOM 415 NE ARG A 27 6.777 5.745 10.878 1.00 0.00 N ATOM 416 CZ ARG A 27 6.860 5.326 12.139 1.00 0.00 C ATOM 417 NH1 ARG A 27 7.314 4.109 12.412 1.00 0.00 N ATOM 418 NH2 ARG A 27 6.489 6.126 13.129 1.00 0.00 N ATOM 0 H ARG A 27 5.768 4.087 7.553 1.00 0.00 H new ATOM 0 HA ARG A 27 7.042 5.730 5.631 1.00 0.00 H new ATOM 0 HB2 ARG A 27 8.358 4.017 7.765 1.00 0.00 H new ATOM 0 HB3 ARG A 27 8.968 5.503 7.065 1.00 0.00 H new ATOM 0 HG2 ARG A 27 8.014 6.643 8.742 1.00 0.00 H new ATOM 0 HG3 ARG A 27 6.439 6.179 8.131 1.00 0.00 H new ATOM 0 HD2 ARG A 27 6.383 4.201 9.520 1.00 0.00 H new ATOM 0 HD3 ARG A 27 8.071 4.381 9.957 1.00 0.00 H new ATOM 0 HE ARG A 27 6.424 6.687 10.708 1.00 0.00 H new ATOM 0 HH11 ARG A 27 7.601 3.490 11.654 1.00 0.00 H new ATOM 0 HH12 ARG A 27 7.376 3.793 13.380 1.00 0.00 H new ATOM 0 HH21 ARG A 27 6.140 7.062 12.925 1.00 0.00 H new ATOM 0 HH22 ARG A 27 6.553 5.805 14.095 1.00 0.00 H new ATOM 432 N LYS A 28 9.045 4.085 4.787 1.00 0.00 N ATOM 433 CA LYS A 28 9.779 3.218 3.871 1.00 0.00 C ATOM 434 C LYS A 28 10.301 1.981 4.593 1.00 0.00 C ATOM 435 O LYS A 28 10.261 0.873 4.057 1.00 0.00 O ATOM 436 CB LYS A 28 10.942 3.983 3.236 1.00 0.00 C ATOM 437 CG LYS A 28 11.133 3.681 1.758 1.00 0.00 C ATOM 438 CD LYS A 28 12.425 4.284 1.231 1.00 0.00 C ATOM 439 CE LYS A 28 13.623 3.402 1.547 1.00 0.00 C ATOM 440 NZ LYS A 28 14.747 4.181 2.135 1.00 0.00 N ATOM 0 H LYS A 28 9.554 4.920 5.077 1.00 0.00 H new ATOM 0 HA LYS A 28 9.094 2.895 3.087 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.774 5.053 3.361 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.861 3.740 3.770 1.00 0.00 H new ATOM 0 HG2 LYS A 28 11.144 2.602 1.604 1.00 0.00 H new ATOM 0 HG3 LYS A 28 10.289 4.075 1.192 1.00 0.00 H new ATOM 0 HD2 LYS A 28 12.349 4.423 0.153 1.00 0.00 H new ATOM 0 HD3 LYS A 28 12.573 5.271 1.670 1.00 0.00 H new ATOM 0 HE2 LYS A 28 13.323 2.617 2.242 1.00 0.00 H new ATOM 0 HE3 LYS A 28 13.961 2.909 0.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 15.544 3.543 2.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 15.051 4.914 1.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 14.433 4.631 3.018 1.00 0.00 H new ATOM 454 N ALA A 29 10.791 2.176 5.814 1.00 0.00 N ATOM 455 CA ALA A 29 11.320 1.076 6.610 1.00 0.00 C ATOM 456 C ALA A 29 10.196 0.277 7.258 1.00 0.00 C ATOM 457 O ALA A 29 10.233 -0.953 7.291 1.00 0.00 O ATOM 458 CB ALA A 29 12.275 1.604 7.671 1.00 0.00 C ATOM 0 H ALA A 29 10.832 3.086 6.273 1.00 0.00 H new ATOM 0 HA ALA A 29 11.867 0.409 5.944 1.00 0.00 H new ATOM 0 HB1 ALA A 29 12.663 0.772 8.258 1.00 0.00 H new ATOM 0 HB2 ALA A 29 13.103 2.125 7.189 1.00 0.00 H new ATOM 0 HB3 ALA A 29 11.745 2.295 8.327 1.00 0.00 H new ATOM 464 N GLU A 30 9.196 0.985 7.774 1.00 0.00 N ATOM 465 CA GLU A 30 8.059 0.340 8.422 1.00 0.00 C ATOM 466 C GLU A 30 7.247 -0.470 7.417 1.00 0.00 C ATOM 467 O GLU A 30 6.655 -1.493 7.762 1.00 0.00 O ATOM 468 CB GLU A 30 7.167 1.389 9.092 1.00 0.00 C ATOM 469 CG GLU A 30 6.661 0.972 10.463 1.00 0.00 C ATOM 470 CD GLU A 30 5.223 1.388 10.704 1.00 0.00 C ATOM 471 OE1 GLU A 30 4.328 0.862 10.010 1.00 0.00 O ATOM 472 OE2 GLU A 30 4.993 2.240 11.588 1.00 0.00 O ATOM 0 H GLU A 30 9.150 2.004 7.756 1.00 0.00 H new ATOM 0 HA GLU A 30 8.442 -0.341 9.182 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.725 2.320 9.188 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.313 1.594 8.446 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.744 -0.110 10.563 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.297 1.413 11.231 1.00 0.00 H new ATOM 479 N LEU A 31 7.223 -0.005 6.172 1.00 0.00 N ATOM 480 CA LEU A 31 6.482 -0.686 5.116 1.00 0.00 C ATOM 481 C LEU A 31 7.266 -1.883 4.588 1.00 0.00 C ATOM 482 O LEU A 31 6.687 -2.914 4.241 1.00 0.00 O ATOM 483 CB LEU A 31 6.177 0.283 3.972 1.00 0.00 C ATOM 484 CG LEU A 31 5.404 -0.322 2.799 1.00 0.00 C ATOM 485 CD1 LEU A 31 4.076 -0.891 3.272 1.00 0.00 C ATOM 486 CD2 LEU A 31 5.184 0.722 1.714 1.00 0.00 C ATOM 0 H LEU A 31 7.708 0.840 5.870 1.00 0.00 H new ATOM 0 HA LEU A 31 5.544 -1.046 5.538 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.606 1.122 4.369 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.118 0.687 3.598 1.00 0.00 H new ATOM 0 HG LEU A 31 5.994 -1.136 2.379 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.540 -1.317 2.424 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.257 -1.668 4.014 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.478 -0.096 3.717 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.633 0.276 0.886 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.614 1.556 2.122 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.148 1.083 1.355 1.00 0.00 H new ATOM 498 N LEU A 32 8.586 -1.741 4.527 1.00 0.00 N ATOM 499 CA LEU A 32 9.450 -2.809 4.040 1.00 0.00 C ATOM 500 C LEU A 32 9.335 -4.047 4.923 1.00 0.00 C ATOM 501 O LEU A 32 9.315 -5.175 4.429 1.00 0.00 O ATOM 502 CB LEU A 32 10.904 -2.337 3.990 1.00 0.00 C ATOM 503 CG LEU A 32 11.288 -1.557 2.732 1.00 0.00 C ATOM 504 CD1 LEU A 32 12.644 -0.892 2.910 1.00 0.00 C ATOM 505 CD2 LEU A 32 11.298 -2.476 1.519 1.00 0.00 C ATOM 0 H LEU A 32 9.081 -0.895 4.809 1.00 0.00 H new ATOM 0 HA LEU A 32 9.127 -3.072 3.033 1.00 0.00 H new ATOM 0 HB2 LEU A 32 11.097 -1.710 4.861 1.00 0.00 H new ATOM 0 HB3 LEU A 32 11.556 -3.207 4.073 1.00 0.00 H new ATOM 0 HG LEU A 32 10.543 -0.778 2.568 1.00 0.00 H new ATOM 0 HD11 LEU A 32 12.901 -0.342 2.005 1.00 0.00 H new ATOM 0 HD12 LEU A 32 12.604 -0.204 3.754 1.00 0.00 H new ATOM 0 HD13 LEU A 32 13.401 -1.653 3.099 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.573 -1.905 0.632 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.022 -3.276 1.675 1.00 0.00 H new ATOM 0 HD23 LEU A 32 10.306 -2.906 1.380 1.00 0.00 H new ATOM 517 N LEU A 33 9.260 -3.830 6.232 1.00 0.00 N ATOM 518 CA LEU A 33 9.147 -4.928 7.184 1.00 0.00 C ATOM 519 C LEU A 33 7.784 -5.606 7.076 1.00 0.00 C ATOM 520 O LEU A 33 7.684 -6.832 7.122 1.00 0.00 O ATOM 521 CB LEU A 33 9.364 -4.418 8.611 1.00 0.00 C ATOM 522 CG LEU A 33 10.714 -3.744 8.859 1.00 0.00 C ATOM 523 CD1 LEU A 33 10.683 -2.953 10.157 1.00 0.00 C ATOM 524 CD2 LEU A 33 11.828 -4.780 8.890 1.00 0.00 C ATOM 0 H LEU A 33 9.275 -2.903 6.658 1.00 0.00 H new ATOM 0 HA LEU A 33 9.917 -5.662 6.946 1.00 0.00 H new ATOM 0 HB2 LEU A 33 8.572 -3.709 8.852 1.00 0.00 H new ATOM 0 HB3 LEU A 33 9.262 -5.257 9.300 1.00 0.00 H new ATOM 0 HG LEU A 33 10.911 -3.052 8.040 1.00 0.00 H new ATOM 0 HD11 LEU A 33 11.652 -2.480 10.318 1.00 0.00 H new ATOM 0 HD12 LEU A 33 9.910 -2.187 10.098 1.00 0.00 H new ATOM 0 HD13 LEU A 33 10.465 -3.625 10.987 1.00 0.00 H new ATOM 0 HD21 LEU A 33 12.782 -4.283 9.067 1.00 0.00 H new ATOM 0 HD22 LEU A 33 11.637 -5.496 9.690 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.864 -5.304 7.935 1.00 0.00 H new ATOM 536 N ARG A 34 6.739 -4.800 6.932 1.00 0.00 N ATOM 537 CA ARG A 34 5.381 -5.320 6.818 1.00 0.00 C ATOM 538 C ARG A 34 5.249 -6.232 5.601 1.00 0.00 C ATOM 539 O ARG A 34 4.693 -7.327 5.690 1.00 0.00 O ATOM 540 CB ARG A 34 4.377 -4.169 6.722 1.00 0.00 C ATOM 541 CG ARG A 34 3.237 -4.272 7.723 1.00 0.00 C ATOM 542 CD ARG A 34 2.473 -5.577 7.569 1.00 0.00 C ATOM 543 NE ARG A 34 1.105 -5.358 7.104 1.00 0.00 N ATOM 544 CZ ARG A 34 0.128 -6.256 7.223 1.00 0.00 C ATOM 545 NH1 ARG A 34 0.365 -7.432 7.791 1.00 0.00 N ATOM 546 NH2 ARG A 34 -1.087 -5.975 6.776 1.00 0.00 N ATOM 0 H ARG A 34 6.806 -3.783 6.891 1.00 0.00 H new ATOM 0 HA ARG A 34 5.165 -5.905 7.712 1.00 0.00 H new ATOM 0 HB2 ARG A 34 4.902 -3.226 6.877 1.00 0.00 H new ATOM 0 HB3 ARG A 34 3.963 -4.142 5.714 1.00 0.00 H new ATOM 0 HG2 ARG A 34 3.634 -4.199 8.736 1.00 0.00 H new ATOM 0 HG3 ARG A 34 2.555 -3.432 7.587 1.00 0.00 H new ATOM 0 HD2 ARG A 34 2.997 -6.223 6.864 1.00 0.00 H new ATOM 0 HD3 ARG A 34 2.452 -6.100 8.525 1.00 0.00 H new ATOM 0 HE ARG A 34 0.885 -4.465 6.662 1.00 0.00 H new ATOM 0 HH11 ARG A 34 1.298 -7.652 8.139 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -0.386 -8.116 7.880 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -1.274 -5.072 6.341 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -1.835 -6.662 6.867 1.00 0.00 H new ATOM 560 N LEU A 35 5.766 -5.773 4.466 1.00 0.00 N ATOM 561 CA LEU A 35 5.705 -6.546 3.231 1.00 0.00 C ATOM 562 C LEU A 35 6.594 -7.783 3.319 1.00 0.00 C ATOM 563 O LEU A 35 6.306 -8.811 2.705 1.00 0.00 O ATOM 564 CB LEU A 35 6.131 -5.683 2.042 1.00 0.00 C ATOM 565 CG LEU A 35 5.379 -4.358 1.902 1.00 0.00 C ATOM 566 CD1 LEU A 35 6.194 -3.363 1.091 1.00 0.00 C ATOM 567 CD2 LEU A 35 4.019 -4.586 1.259 1.00 0.00 C ATOM 0 H LEU A 35 6.232 -4.870 4.376 1.00 0.00 H new ATOM 0 HA LEU A 35 4.674 -6.870 3.086 1.00 0.00 H new ATOM 0 HB2 LEU A 35 7.197 -5.471 2.130 1.00 0.00 H new ATOM 0 HB3 LEU A 35 5.995 -6.259 1.127 1.00 0.00 H new ATOM 0 HG LEU A 35 5.225 -3.942 2.898 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.642 -2.427 1.003 1.00 0.00 H new ATOM 0 HD12 LEU A 35 7.145 -3.178 1.591 1.00 0.00 H new ATOM 0 HD13 LEU A 35 6.380 -3.770 0.097 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.496 -3.634 1.166 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.153 -5.024 0.270 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.432 -5.263 1.879 1.00 0.00 H new ATOM 579 N GLN A 36 7.675 -7.677 4.084 1.00 0.00 N ATOM 580 CA GLN A 36 8.606 -8.788 4.252 1.00 0.00 C ATOM 581 C GLN A 36 7.934 -9.960 4.960 1.00 0.00 C ATOM 582 O GLN A 36 8.173 -11.120 4.624 1.00 0.00 O ATOM 583 CB GLN A 36 9.836 -8.334 5.041 1.00 0.00 C ATOM 584 CG GLN A 36 11.151 -8.807 4.442 1.00 0.00 C ATOM 585 CD GLN A 36 12.304 -8.719 5.423 1.00 0.00 C ATOM 586 OE1 GLN A 36 12.339 -7.834 6.278 1.00 0.00 O ATOM 587 NE2 GLN A 36 13.253 -9.639 5.304 1.00 0.00 N ATOM 0 H GLN A 36 7.929 -6.833 4.598 1.00 0.00 H new ATOM 0 HA GLN A 36 8.920 -9.120 3.262 1.00 0.00 H new ATOM 0 HB2 GLN A 36 9.841 -7.245 5.095 1.00 0.00 H new ATOM 0 HB3 GLN A 36 9.758 -8.703 6.064 1.00 0.00 H new ATOM 0 HG2 GLN A 36 11.043 -9.838 4.106 1.00 0.00 H new ATOM 0 HG3 GLN A 36 11.381 -8.207 3.561 1.00 0.00 H new ATOM 0 HE21 GLN A 36 13.182 -10.354 4.580 1.00 0.00 H new ATOM 0 HE22 GLN A 36 14.053 -9.631 5.937 1.00 0.00 H new ATOM 596 N LYS A 37 7.094 -9.650 5.941 1.00 0.00 N ATOM 597 CA LYS A 37 6.388 -10.678 6.696 1.00 0.00 C ATOM 598 C LYS A 37 5.487 -11.504 5.783 1.00 0.00 C ATOM 599 O LYS A 37 5.261 -12.689 6.024 1.00 0.00 O ATOM 600 CB LYS A 37 5.558 -10.043 7.813 1.00 0.00 C ATOM 601 CG LYS A 37 6.342 -9.800 9.092 1.00 0.00 C ATOM 602 CD LYS A 37 5.517 -10.130 10.325 1.00 0.00 C ATOM 603 CE LYS A 37 5.322 -11.629 10.481 1.00 0.00 C ATOM 604 NZ LYS A 37 6.620 -12.345 10.622 1.00 0.00 N ATOM 0 H LYS A 37 6.885 -8.695 6.232 1.00 0.00 H new ATOM 0 HA LYS A 37 7.131 -11.341 7.138 1.00 0.00 H new ATOM 0 HB2 LYS A 37 5.154 -9.095 7.459 1.00 0.00 H new ATOM 0 HB3 LYS A 37 4.708 -10.689 8.035 1.00 0.00 H new ATOM 0 HG2 LYS A 37 7.247 -10.408 9.086 1.00 0.00 H new ATOM 0 HG3 LYS A 37 6.658 -8.758 9.133 1.00 0.00 H new ATOM 0 HD2 LYS A 37 6.011 -9.732 11.212 1.00 0.00 H new ATOM 0 HD3 LYS A 37 4.545 -9.641 10.255 1.00 0.00 H new ATOM 0 HE2 LYS A 37 4.702 -11.826 11.356 1.00 0.00 H new ATOM 0 HE3 LYS A 37 4.785 -12.017 9.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 6.457 -13.277 11.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 7.051 -12.469 9.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 7.259 -11.790 11.226 1.00 0.00 H new ATOM 618 N ASP A 38 4.974 -10.868 4.734 1.00 0.00 N ATOM 619 CA ASP A 38 4.097 -11.544 3.785 1.00 0.00 C ATOM 620 C ASP A 38 4.889 -12.073 2.594 1.00 0.00 C ATOM 621 O ASP A 38 4.582 -13.136 2.055 1.00 0.00 O ATOM 622 CB ASP A 38 3.003 -10.590 3.302 1.00 0.00 C ATOM 623 CG ASP A 38 2.164 -10.048 4.442 1.00 0.00 C ATOM 624 OD1 ASP A 38 2.742 -9.707 5.496 1.00 0.00 O ATOM 625 OD2 ASP A 38 0.928 -9.964 4.281 1.00 0.00 O ATOM 0 H ASP A 38 5.151 -9.886 4.520 1.00 0.00 H new ATOM 0 HA ASP A 38 3.634 -12.389 4.294 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.460 -9.759 2.764 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.357 -11.110 2.595 1.00 0.00 H new ATOM 630 N GLY A 39 5.909 -11.323 2.188 1.00 0.00 N ATOM 631 CA GLY A 39 6.729 -11.734 1.064 1.00 0.00 C ATOM 632 C GLY A 39 7.287 -10.555 0.291 1.00 0.00 C ATOM 633 O GLY A 39 6.613 -9.997 -0.574 1.00 0.00 O ATOM 0 H GLY A 39 6.182 -10.439 2.617 1.00 0.00 H new ATOM 0 HA2 GLY A 39 7.552 -12.350 1.425 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.136 -12.356 0.394 1.00 0.00 H new ATOM 637 N LEU A 40 8.521 -10.174 0.604 1.00 0.00 N ATOM 638 CA LEU A 40 9.170 -9.054 -0.067 1.00 0.00 C ATOM 639 C LEU A 40 10.569 -9.437 -0.538 1.00 0.00 C ATOM 640 O LEU A 40 11.387 -9.920 0.244 1.00 0.00 O ATOM 641 CB LEU A 40 9.247 -7.847 0.870 1.00 0.00 C ATOM 642 CG LEU A 40 9.940 -6.615 0.284 1.00 0.00 C ATOM 643 CD1 LEU A 40 8.939 -5.741 -0.455 1.00 0.00 C ATOM 644 CD2 LEU A 40 10.635 -5.823 1.382 1.00 0.00 C ATOM 0 H LEU A 40 9.092 -10.625 1.319 1.00 0.00 H new ATOM 0 HA LEU A 40 8.573 -8.791 -0.940 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.235 -7.570 1.165 1.00 0.00 H new ATOM 0 HB3 LEU A 40 9.773 -8.144 1.777 1.00 0.00 H new ATOM 0 HG LEU A 40 10.694 -6.949 -0.429 1.00 0.00 H new ATOM 0 HD11 LEU A 40 9.450 -4.870 -0.865 1.00 0.00 H new ATOM 0 HD12 LEU A 40 8.487 -6.312 -1.266 1.00 0.00 H new ATOM 0 HD13 LEU A 40 8.162 -5.414 0.236 1.00 0.00 H new ATOM 0 HD21 LEU A 40 11.123 -4.950 0.948 1.00 0.00 H new ATOM 0 HD22 LEU A 40 9.899 -5.499 2.118 1.00 0.00 H new ATOM 0 HD23 LEU A 40 11.381 -6.452 1.867 1.00 0.00 H new ATOM 656 N THR A 41 10.837 -9.215 -1.821 1.00 0.00 N ATOM 657 CA THR A 41 12.138 -9.537 -2.396 1.00 0.00 C ATOM 658 C THR A 41 12.858 -8.272 -2.852 1.00 0.00 C ATOM 659 O THR A 41 12.360 -7.162 -2.671 1.00 0.00 O ATOM 660 CB THR A 41 11.975 -10.497 -3.576 1.00 0.00 C ATOM 661 OG1 THR A 41 11.129 -9.938 -4.565 1.00 0.00 O ATOM 662 CG2 THR A 41 11.395 -11.837 -3.181 1.00 0.00 C ATOM 0 H THR A 41 10.171 -8.814 -2.481 1.00 0.00 H new ATOM 0 HA THR A 41 12.739 -10.019 -1.625 1.00 0.00 H new ATOM 0 HB THR A 41 12.983 -10.654 -3.961 1.00 0.00 H new ATOM 0 HG1 THR A 41 11.039 -10.566 -5.312 1.00 0.00 H new ATOM 0 HG21 THR A 41 11.306 -12.469 -4.064 1.00 0.00 H new ATOM 0 HG22 THR A 41 12.051 -12.318 -2.455 1.00 0.00 H new ATOM 0 HG23 THR A 41 10.410 -11.691 -2.739 1.00 0.00 H new ATOM 670 N GLN A 42 14.035 -8.450 -3.444 1.00 0.00 N ATOM 671 CA GLN A 42 14.825 -7.323 -3.927 1.00 0.00 C ATOM 672 C GLN A 42 14.066 -6.545 -4.998 1.00 0.00 C ATOM 673 O GLN A 42 14.208 -5.327 -5.110 1.00 0.00 O ATOM 674 CB GLN A 42 16.164 -7.816 -4.484 1.00 0.00 C ATOM 675 CG GLN A 42 17.368 -7.315 -3.703 1.00 0.00 C ATOM 676 CD GLN A 42 18.009 -6.096 -4.337 1.00 0.00 C ATOM 677 OE1 GLN A 42 19.233 -5.999 -4.424 1.00 0.00 O ATOM 678 NE2 GLN A 42 17.182 -5.159 -4.786 1.00 0.00 N ATOM 0 H GLN A 42 14.462 -9.363 -3.601 1.00 0.00 H new ATOM 0 HA GLN A 42 15.014 -6.654 -3.087 1.00 0.00 H new ATOM 0 HB2 GLN A 42 16.169 -8.906 -4.484 1.00 0.00 H new ATOM 0 HB3 GLN A 42 16.256 -7.497 -5.522 1.00 0.00 H new ATOM 0 HG2 GLN A 42 17.061 -7.072 -2.686 1.00 0.00 H new ATOM 0 HG3 GLN A 42 18.107 -8.113 -3.630 1.00 0.00 H new ATOM 0 HE21 GLN A 42 16.174 -5.281 -4.693 1.00 0.00 H new ATOM 0 HE22 GLN A 42 17.555 -4.317 -5.224 1.00 0.00 H new ATOM 687 N ALA A 43 13.262 -7.255 -5.780 1.00 0.00 N ATOM 688 CA ALA A 43 12.480 -6.631 -6.841 1.00 0.00 C ATOM 689 C ALA A 43 11.413 -5.707 -6.265 1.00 0.00 C ATOM 690 O ALA A 43 11.267 -4.565 -6.699 1.00 0.00 O ATOM 691 CB ALA A 43 11.842 -7.695 -7.722 1.00 0.00 C ATOM 0 H ALA A 43 13.134 -8.264 -5.700 1.00 0.00 H new ATOM 0 HA ALA A 43 13.154 -6.028 -7.450 1.00 0.00 H new ATOM 0 HB1 ALA A 43 11.261 -7.215 -8.510 1.00 0.00 H new ATOM 0 HB2 ALA A 43 12.621 -8.312 -8.170 1.00 0.00 H new ATOM 0 HB3 ALA A 43 11.186 -8.322 -7.118 1.00 0.00 H new ATOM 697 N ASP A 44 10.668 -6.210 -5.285 1.00 0.00 N ATOM 698 CA ASP A 44 9.614 -5.430 -4.650 1.00 0.00 C ATOM 699 C ASP A 44 10.200 -4.273 -3.848 1.00 0.00 C ATOM 700 O ASP A 44 9.582 -3.215 -3.723 1.00 0.00 O ATOM 701 CB ASP A 44 8.771 -6.322 -3.737 1.00 0.00 C ATOM 702 CG ASP A 44 7.774 -7.163 -4.511 1.00 0.00 C ATOM 703 OD1 ASP A 44 6.938 -6.579 -5.231 1.00 0.00 O ATOM 704 OD2 ASP A 44 7.829 -8.406 -4.395 1.00 0.00 O ATOM 0 H ASP A 44 10.776 -7.154 -4.914 1.00 0.00 H new ATOM 0 HA ASP A 44 8.978 -5.019 -5.434 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.429 -6.977 -3.166 1.00 0.00 H new ATOM 0 HB3 ASP A 44 8.237 -5.700 -3.018 1.00 0.00 H new ATOM 709 N LYS A 45 11.396 -4.480 -3.306 1.00 0.00 N ATOM 710 CA LYS A 45 12.065 -3.454 -2.515 1.00 0.00 C ATOM 711 C LYS A 45 12.303 -2.195 -3.343 1.00 0.00 C ATOM 712 O LYS A 45 11.760 -1.132 -3.045 1.00 0.00 O ATOM 713 CB LYS A 45 13.396 -3.982 -1.977 1.00 0.00 C ATOM 714 CG LYS A 45 13.286 -4.620 -0.601 1.00 0.00 C ATOM 715 CD LYS A 45 14.626 -4.632 0.117 1.00 0.00 C ATOM 716 CE LYS A 45 14.742 -3.477 1.098 1.00 0.00 C ATOM 717 NZ LYS A 45 16.075 -3.444 1.761 1.00 0.00 N ATOM 0 H LYS A 45 11.922 -5.349 -3.400 1.00 0.00 H new ATOM 0 HA LYS A 45 11.417 -3.199 -1.677 1.00 0.00 H new ATOM 0 HB2 LYS A 45 13.796 -4.715 -2.677 1.00 0.00 H new ATOM 0 HB3 LYS A 45 14.111 -3.161 -1.932 1.00 0.00 H new ATOM 0 HG2 LYS A 45 12.557 -4.074 -0.003 1.00 0.00 H new ATOM 0 HG3 LYS A 45 12.916 -5.641 -0.701 1.00 0.00 H new ATOM 0 HD2 LYS A 45 14.747 -5.576 0.649 1.00 0.00 H new ATOM 0 HD3 LYS A 45 15.432 -4.572 -0.614 1.00 0.00 H new ATOM 0 HE2 LYS A 45 14.574 -2.537 0.573 1.00 0.00 H new ATOM 0 HE3 LYS A 45 13.962 -3.563 1.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 16.114 -2.642 2.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 16.225 -4.331 2.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 16.818 -3.336 1.041 1.00 0.00 H new ATOM 731 N ASP A 46 13.119 -2.324 -4.385 1.00 0.00 N ATOM 732 CA ASP A 46 13.430 -1.196 -5.256 1.00 0.00 C ATOM 733 C ASP A 46 12.165 -0.643 -5.905 1.00 0.00 C ATOM 734 O ASP A 46 12.009 0.570 -6.049 1.00 0.00 O ATOM 735 CB ASP A 46 14.427 -1.619 -6.337 1.00 0.00 C ATOM 736 CG ASP A 46 15.707 -2.185 -5.753 1.00 0.00 C ATOM 737 OD1 ASP A 46 15.632 -2.876 -4.716 1.00 0.00 O ATOM 738 OD2 ASP A 46 16.785 -1.934 -6.333 1.00 0.00 O ATOM 0 H ASP A 46 13.576 -3.198 -4.646 1.00 0.00 H new ATOM 0 HA ASP A 46 13.876 -0.411 -4.645 1.00 0.00 H new ATOM 0 HB2 ASP A 46 13.964 -2.366 -6.982 1.00 0.00 H new ATOM 0 HB3 ASP A 46 14.666 -0.760 -6.964 1.00 0.00 H new ATOM 743 N ALA A 47 11.264 -1.539 -6.294 1.00 0.00 N ATOM 744 CA ALA A 47 10.013 -1.140 -6.927 1.00 0.00 C ATOM 745 C ALA A 47 9.121 -0.382 -5.951 1.00 0.00 C ATOM 746 O ALA A 47 8.376 0.515 -6.345 1.00 0.00 O ATOM 747 CB ALA A 47 9.287 -2.360 -7.472 1.00 0.00 C ATOM 0 H ALA A 47 11.377 -2.546 -6.182 1.00 0.00 H new ATOM 0 HA ALA A 47 10.249 -0.471 -7.755 1.00 0.00 H new ATOM 0 HB1 ALA A 47 8.354 -2.048 -7.942 1.00 0.00 H new ATOM 0 HB2 ALA A 47 9.916 -2.859 -8.209 1.00 0.00 H new ATOM 0 HB3 ALA A 47 9.069 -3.049 -6.656 1.00 0.00 H new ATOM 753 N LEU A 48 9.200 -0.748 -4.677 1.00 0.00 N ATOM 754 CA LEU A 48 8.399 -0.102 -3.644 1.00 0.00 C ATOM 755 C LEU A 48 8.744 1.380 -3.533 1.00 0.00 C ATOM 756 O LEU A 48 7.877 2.210 -3.257 1.00 0.00 O ATOM 757 CB LEU A 48 8.617 -0.790 -2.295 1.00 0.00 C ATOM 758 CG LEU A 48 7.769 -0.244 -1.144 1.00 0.00 C ATOM 759 CD1 LEU A 48 6.299 -0.564 -1.367 1.00 0.00 C ATOM 760 CD2 LEU A 48 8.245 -0.814 0.184 1.00 0.00 C ATOM 0 H LEU A 48 9.811 -1.489 -4.334 1.00 0.00 H new ATOM 0 HA LEU A 48 7.350 -0.192 -3.925 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.406 -1.853 -2.409 1.00 0.00 H new ATOM 0 HB3 LEU A 48 9.669 -0.701 -2.025 1.00 0.00 H new ATOM 0 HG LEU A 48 7.884 0.840 -1.114 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.711 -0.168 -0.539 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.965 -0.109 -2.299 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.166 -1.644 -1.423 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.631 -0.415 0.992 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.159 -1.900 0.165 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.286 -0.535 0.348 1.00 0.00 H new ATOM 772 N ASP A 49 10.015 1.704 -3.747 1.00 0.00 N ATOM 773 CA ASP A 49 10.474 3.087 -3.671 1.00 0.00 C ATOM 774 C ASP A 49 9.742 3.961 -4.682 1.00 0.00 C ATOM 775 O ASP A 49 9.140 4.973 -4.321 1.00 0.00 O ATOM 776 CB ASP A 49 11.983 3.158 -3.915 1.00 0.00 C ATOM 777 CG ASP A 49 12.611 4.390 -3.295 1.00 0.00 C ATOM 778 OD1 ASP A 49 12.065 4.894 -2.291 1.00 0.00 O ATOM 779 OD2 ASP A 49 13.650 4.850 -3.813 1.00 0.00 O ATOM 0 H ASP A 49 10.745 1.029 -3.974 1.00 0.00 H new ATOM 0 HA ASP A 49 10.256 3.462 -2.671 1.00 0.00 H new ATOM 0 HB2 ASP A 49 12.457 2.266 -3.505 1.00 0.00 H new ATOM 0 HB3 ASP A 49 12.175 3.156 -4.988 1.00 0.00 H new ATOM 784 N GLY A 50 9.798 3.566 -5.950 1.00 0.00 N ATOM 785 CA GLY A 50 9.136 4.327 -6.993 1.00 0.00 C ATOM 786 C GLY A 50 7.624 4.267 -6.891 1.00 0.00 C ATOM 787 O GLY A 50 6.928 5.179 -7.336 1.00 0.00 O ATOM 0 H GLY A 50 10.290 2.733 -6.273 1.00 0.00 H new ATOM 0 HA2 GLY A 50 9.459 5.367 -6.939 1.00 0.00 H new ATOM 0 HA3 GLY A 50 9.446 3.947 -7.967 1.00 0.00 H new ATOM 791 N LEU A 51 7.115 3.189 -6.303 1.00 0.00 N ATOM 792 CA LEU A 51 5.675 3.014 -6.146 1.00 0.00 C ATOM 793 C LEU A 51 5.124 3.954 -5.078 1.00 0.00 C ATOM 794 O LEU A 51 4.113 4.622 -5.289 1.00 0.00 O ATOM 795 CB LEU A 51 5.354 1.563 -5.780 1.00 0.00 C ATOM 796 CG LEU A 51 4.116 0.982 -6.468 1.00 0.00 C ATOM 797 CD1 LEU A 51 4.514 0.187 -7.701 1.00 0.00 C ATOM 798 CD2 LEU A 51 3.328 0.111 -5.500 1.00 0.00 C ATOM 0 H LEU A 51 7.677 2.425 -5.928 1.00 0.00 H new ATOM 0 HA LEU A 51 5.199 3.256 -7.096 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.215 0.942 -6.029 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.216 1.498 -4.701 1.00 0.00 H new ATOM 0 HG LEU A 51 3.478 1.808 -6.784 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.621 -0.218 -8.177 1.00 0.00 H new ATOM 0 HD12 LEU A 51 5.034 0.839 -8.402 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.173 -0.631 -7.409 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.451 -0.294 -6.006 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.957 -0.708 -5.153 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.010 0.711 -4.647 1.00 0.00 H new ATOM 810 N LEU A 52 5.795 4.000 -3.932 1.00 0.00 N ATOM 811 CA LEU A 52 5.369 4.858 -2.830 1.00 0.00 C ATOM 812 C LEU A 52 5.309 6.319 -3.265 1.00 0.00 C ATOM 813 O LEU A 52 4.320 7.009 -3.022 1.00 0.00 O ATOM 814 CB LEU A 52 6.322 4.707 -1.642 1.00 0.00 C ATOM 815 CG LEU A 52 6.160 3.413 -0.844 1.00 0.00 C ATOM 816 CD1 LEU A 52 7.326 3.228 0.116 1.00 0.00 C ATOM 817 CD2 LEU A 52 4.841 3.417 -0.086 1.00 0.00 C ATOM 0 H LEU A 52 6.635 3.454 -3.741 1.00 0.00 H new ATOM 0 HA LEU A 52 4.369 4.548 -2.529 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.347 4.764 -2.008 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.176 5.552 -0.969 1.00 0.00 H new ATOM 0 HG LEU A 52 6.154 2.576 -1.542 1.00 0.00 H new ATOM 0 HD11 LEU A 52 7.193 2.302 0.675 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.258 3.181 -0.448 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.363 4.068 0.809 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.742 2.489 0.477 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.819 4.262 0.602 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.016 3.503 -0.793 1.00 0.00 H new ATOM 829 N GLN A 53 6.373 6.784 -3.911 1.00 0.00 N ATOM 830 CA GLN A 53 6.440 8.164 -4.380 1.00 0.00 C ATOM 831 C GLN A 53 5.302 8.470 -5.350 1.00 0.00 C ATOM 832 O GLN A 53 4.913 9.625 -5.519 1.00 0.00 O ATOM 833 CB GLN A 53 7.787 8.430 -5.055 1.00 0.00 C ATOM 834 CG GLN A 53 8.889 8.816 -4.081 1.00 0.00 C ATOM 835 CD GLN A 53 9.205 10.299 -4.117 1.00 0.00 C ATOM 836 OE1 GLN A 53 9.870 10.782 -5.033 1.00 0.00 O ATOM 837 NE2 GLN A 53 8.727 11.029 -3.116 1.00 0.00 N ATOM 0 H GLN A 53 7.201 6.226 -4.122 1.00 0.00 H new ATOM 0 HA GLN A 53 6.338 8.819 -3.515 1.00 0.00 H new ATOM 0 HB2 GLN A 53 8.093 7.538 -5.602 1.00 0.00 H new ATOM 0 HB3 GLN A 53 7.666 9.227 -5.788 1.00 0.00 H new ATOM 0 HG2 GLN A 53 8.591 8.536 -3.071 1.00 0.00 H new ATOM 0 HG3 GLN A 53 9.791 8.250 -4.315 1.00 0.00 H new ATOM 0 HE21 GLN A 53 8.180 10.586 -2.378 1.00 0.00 H new ATOM 0 HE22 GLN A 53 8.907 12.033 -3.086 1.00 0.00 H new ATOM 846 N GLN A 54 4.774 7.430 -5.989 1.00 0.00 N ATOM 847 CA GLN A 54 3.684 7.594 -6.944 1.00 0.00 C ATOM 848 C GLN A 54 2.328 7.438 -6.261 1.00 0.00 C ATOM 849 O GLN A 54 1.463 8.306 -6.373 1.00 0.00 O ATOM 850 CB GLN A 54 3.819 6.577 -8.081 1.00 0.00 C ATOM 851 CG GLN A 54 3.738 7.200 -9.466 1.00 0.00 C ATOM 852 CD GLN A 54 2.310 7.380 -9.941 1.00 0.00 C ATOM 853 OE1 GLN A 54 1.549 8.164 -9.374 1.00 0.00 O ATOM 854 NE2 GLN A 54 1.938 6.651 -10.987 1.00 0.00 N ATOM 0 H GLN A 54 5.083 6.466 -5.863 1.00 0.00 H new ATOM 0 HA GLN A 54 3.745 8.601 -7.356 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.771 6.056 -7.981 1.00 0.00 H new ATOM 0 HB3 GLN A 54 3.034 5.827 -7.982 1.00 0.00 H new ATOM 0 HG2 GLN A 54 4.238 8.168 -9.455 1.00 0.00 H new ATOM 0 HG3 GLN A 54 4.277 6.571 -10.175 1.00 0.00 H new ATOM 0 HE21 GLN A 54 2.602 6.013 -11.426 1.00 0.00 H new ATOM 0 HE22 GLN A 54 0.988 6.729 -11.351 1.00 0.00 H new ATOM 863 N VAL A 55 2.148 6.324 -5.559 1.00 0.00 N ATOM 864 CA VAL A 55 0.896 6.053 -4.862 1.00 0.00 C ATOM 865 C VAL A 55 0.986 6.440 -3.389 1.00 0.00 C ATOM 866 O VAL A 55 0.355 5.818 -2.534 1.00 0.00 O ATOM 867 CB VAL A 55 0.507 4.567 -4.966 1.00 0.00 C ATOM 868 CG1 VAL A 55 0.081 4.224 -6.385 1.00 0.00 C ATOM 869 CG2 VAL A 55 1.657 3.680 -4.517 1.00 0.00 C ATOM 0 H VAL A 55 2.853 5.594 -5.458 1.00 0.00 H new ATOM 0 HA VAL A 55 0.130 6.659 -5.346 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.340 4.386 -4.304 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.190 3.170 -6.439 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.778 4.834 -6.665 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.905 4.422 -7.070 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.362 2.634 -4.598 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.526 3.862 -5.150 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.909 3.907 -3.481 1.00 0.00 H new ATOM 879 N ALA A 56 1.773 7.471 -3.098 1.00 0.00 N ATOM 880 CA ALA A 56 1.943 7.939 -1.728 1.00 0.00 C ATOM 881 C ALA A 56 2.817 9.188 -1.679 1.00 0.00 C ATOM 882 O ALA A 56 3.657 9.405 -2.553 1.00 0.00 O ATOM 883 CB ALA A 56 2.539 6.839 -0.863 1.00 0.00 C ATOM 0 H ALA A 56 2.303 7.998 -3.793 1.00 0.00 H new ATOM 0 HA ALA A 56 0.960 8.200 -1.335 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.660 7.204 0.157 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.874 5.975 -0.863 1.00 0.00 H new ATOM 0 HB3 ALA A 56 3.511 6.549 -1.262 1.00 0.00 H new ATOM 889 N ASN A 57 2.613 10.008 -0.654 1.00 0.00 N ATOM 890 CA ASN A 57 3.382 11.237 -0.492 1.00 0.00 C ATOM 891 C ASN A 57 4.371 11.111 0.663 1.00 0.00 C ATOM 892 O ASN A 57 4.001 11.256 1.828 1.00 0.00 O ATOM 893 CB ASN A 57 2.446 12.421 -0.250 1.00 0.00 C ATOM 894 CG ASN A 57 2.036 13.107 -1.538 1.00 0.00 C ATOM 895 OD1 ASN A 57 1.183 12.448 -2.314 1.00 0.00 O flip ATOM 896 ND2 ASN A 57 2.481 14.217 -1.833 1.00 0.00 N flip ATOM 0 H ASN A 57 1.921 9.844 0.078 1.00 0.00 H new ATOM 0 HA ASN A 57 3.943 11.409 -1.411 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.555 12.075 0.274 1.00 0.00 H new ATOM 0 HB3 ASN A 57 2.939 13.143 0.402 1.00 0.00 H new ATOM 0 HD21 ASN A 57 3.135 14.687 -1.207 1.00 0.00 H new ATOM 0 HD22 ASN A 57 2.196 14.666 -2.703 1.00 0.00 H new ATOM 903 N MET A 58 5.629 10.841 0.331 1.00 0.00 N ATOM 904 CA MET A 58 6.671 10.696 1.340 1.00 0.00 C ATOM 905 C MET A 58 6.856 11.992 2.122 1.00 0.00 C ATOM 906 O MET A 58 6.710 13.085 1.574 1.00 0.00 O ATOM 907 CB MET A 58 7.993 10.290 0.684 1.00 0.00 C ATOM 908 CG MET A 58 9.130 10.098 1.674 1.00 0.00 C ATOM 909 SD MET A 58 9.074 8.492 2.494 1.00 0.00 S ATOM 910 CE MET A 58 10.157 7.536 1.436 1.00 0.00 C ATOM 0 H MET A 58 5.951 10.718 -0.629 1.00 0.00 H new ATOM 0 HA MET A 58 6.362 9.915 2.034 1.00 0.00 H new ATOM 0 HB2 MET A 58 7.844 9.363 0.130 1.00 0.00 H new ATOM 0 HB3 MET A 58 8.278 11.052 -0.041 1.00 0.00 H new ATOM 0 HG2 MET A 58 10.082 10.203 1.153 1.00 0.00 H new ATOM 0 HG3 MET A 58 9.090 10.887 2.425 1.00 0.00 H new ATOM 0 HE1 MET A 58 10.036 6.475 1.655 1.00 0.00 H new ATOM 0 HE2 MET A 58 9.904 7.723 0.392 1.00 0.00 H new ATOM 0 HE3 MET A 58 11.192 7.827 1.616 1.00 0.00 H new ATOM 920 N SER A 59 7.176 11.864 3.406 1.00 0.00 N ATOM 921 CA SER A 59 7.380 13.025 4.263 1.00 0.00 C ATOM 922 C SER A 59 8.837 13.477 4.228 1.00 0.00 C ATOM 923 O SER A 59 9.747 12.660 4.085 1.00 0.00 O ATOM 924 CB SER A 59 6.970 12.702 5.701 1.00 0.00 C ATOM 925 OG SER A 59 6.985 13.867 6.509 1.00 0.00 O ATOM 0 H SER A 59 7.300 10.967 3.875 1.00 0.00 H new ATOM 0 HA SER A 59 6.756 13.836 3.888 1.00 0.00 H new ATOM 0 HB2 SER A 59 5.972 12.263 5.708 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.649 11.958 6.118 1.00 0.00 H new ATOM 0 HG SER A 59 6.718 13.635 7.423 1.00 0.00 H new ATOM 931 N ALA A 60 9.049 14.782 4.357 1.00 0.00 N ATOM 932 CA ALA A 60 10.394 15.343 4.339 1.00 0.00 C ATOM 933 C ALA A 60 10.921 15.552 5.755 1.00 0.00 C ATOM 934 O ALA A 60 11.571 16.557 6.044 1.00 0.00 O ATOM 935 CB ALA A 60 10.407 16.654 3.569 1.00 0.00 C ATOM 0 H ALA A 60 8.306 15.471 4.475 1.00 0.00 H new ATOM 0 HA ALA A 60 11.051 14.633 3.837 1.00 0.00 H new ATOM 0 HB1 ALA A 60 11.418 17.063 3.563 1.00 0.00 H new ATOM 0 HB2 ALA A 60 10.081 16.477 2.544 1.00 0.00 H new ATOM 0 HB3 ALA A 60 9.732 17.363 4.047 1.00 0.00 H new ATOM 941 N LYS A 61 10.638 14.597 6.634 1.00 0.00 N ATOM 942 CA LYS A 61 11.085 14.677 8.020 1.00 0.00 C ATOM 943 C LYS A 61 11.488 13.302 8.544 1.00 0.00 C ATOM 944 O LYS A 61 12.670 13.028 8.749 1.00 0.00 O ATOM 945 CB LYS A 61 9.982 15.269 8.899 1.00 0.00 C ATOM 946 CG LYS A 61 9.774 16.761 8.693 1.00 0.00 C ATOM 947 CD LYS A 61 9.401 17.456 9.992 1.00 0.00 C ATOM 948 CE LYS A 61 8.851 18.850 9.738 1.00 0.00 C ATOM 949 NZ LYS A 61 8.209 19.426 10.953 1.00 0.00 N ATOM 0 H LYS A 61 10.101 13.759 6.412 1.00 0.00 H new ATOM 0 HA LYS A 61 11.958 15.328 8.057 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.047 14.749 8.693 1.00 0.00 H new ATOM 0 HB3 LYS A 61 10.225 15.086 9.946 1.00 0.00 H new ATOM 0 HG2 LYS A 61 10.685 17.204 8.291 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.988 16.921 7.955 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.658 16.862 10.524 1.00 0.00 H new ATOM 0 HD3 LYS A 61 10.278 17.521 10.636 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.659 19.504 9.410 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.123 18.811 8.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.847 20.377 10.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 7.422 18.816 11.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 8.909 19.488 11.719 1.00 0.00 H new ATOM 963 N ASP A 62 10.498 12.442 8.758 1.00 0.00 N ATOM 964 CA ASP A 62 10.749 11.096 9.259 1.00 0.00 C ATOM 965 C ASP A 62 10.800 10.091 8.113 1.00 0.00 C ATOM 966 O ASP A 62 11.606 9.160 8.126 1.00 0.00 O ATOM 967 CB ASP A 62 9.667 10.692 10.262 1.00 0.00 C ATOM 968 CG ASP A 62 10.241 10.014 11.491 1.00 0.00 C ATOM 969 OD1 ASP A 62 10.840 8.927 11.344 1.00 0.00 O ATOM 970 OD2 ASP A 62 10.092 10.568 12.600 1.00 0.00 O ATOM 0 H ASP A 62 9.514 12.653 8.592 1.00 0.00 H new ATOM 0 HA ASP A 62 11.716 11.096 9.761 1.00 0.00 H new ATOM 0 HB2 ASP A 62 9.109 11.577 10.566 1.00 0.00 H new ATOM 0 HB3 ASP A 62 8.959 10.020 9.777 1.00 0.00 H new ATOM 975 N GLY A 63 9.935 10.285 7.123 1.00 0.00 N ATOM 976 CA GLY A 63 9.898 9.388 5.982 1.00 0.00 C ATOM 977 C GLY A 63 8.615 8.585 5.918 1.00 0.00 C ATOM 978 O GLY A 63 8.600 7.464 5.406 1.00 0.00 O ATOM 0 H GLY A 63 9.258 11.048 7.090 1.00 0.00 H new ATOM 0 HA2 GLY A 63 10.007 9.967 5.065 1.00 0.00 H new ATOM 0 HA3 GLY A 63 10.747 8.707 6.032 1.00 0.00 H new ATOM 982 N THR A 64 7.533 9.156 6.437 1.00 0.00 N ATOM 983 CA THR A 64 6.238 8.485 6.434 1.00 0.00 C ATOM 984 C THR A 64 5.509 8.715 5.115 1.00 0.00 C ATOM 985 O THR A 64 5.256 9.855 4.724 1.00 0.00 O ATOM 986 CB THR A 64 5.380 8.983 7.599 1.00 0.00 C ATOM 987 OG1 THR A 64 6.190 9.532 8.622 1.00 0.00 O ATOM 988 CG2 THR A 64 4.528 7.898 8.221 1.00 0.00 C ATOM 0 H THR A 64 7.527 10.082 6.865 1.00 0.00 H new ATOM 0 HA THR A 64 6.411 7.415 6.550 1.00 0.00 H new ATOM 0 HB THR A 64 4.722 9.739 7.169 1.00 0.00 H new ATOM 0 HG1 THR A 64 5.622 9.846 9.356 1.00 0.00 H new ATOM 0 HG21 THR A 64 3.945 8.318 9.040 1.00 0.00 H new ATOM 0 HG22 THR A 64 3.854 7.489 7.469 1.00 0.00 H new ATOM 0 HG23 THR A 64 5.171 7.105 8.603 1.00 0.00 H new ATOM 996 N CYS A 65 5.172 7.626 4.433 1.00 0.00 N ATOM 997 CA CYS A 65 4.472 7.709 3.156 1.00 0.00 C ATOM 998 C CYS A 65 2.970 7.520 3.348 1.00 0.00 C ATOM 999 O CYS A 65 2.513 6.442 3.730 1.00 0.00 O ATOM 1000 CB CYS A 65 5.013 6.659 2.184 1.00 0.00 C ATOM 1001 SG CYS A 65 6.284 7.281 1.060 1.00 0.00 S ATOM 0 H CYS A 65 5.372 6.675 4.743 1.00 0.00 H new ATOM 0 HA CYS A 65 4.644 8.701 2.738 1.00 0.00 H new ATOM 0 HB2 CYS A 65 5.424 5.827 2.756 1.00 0.00 H new ATOM 0 HB3 CYS A 65 4.185 6.263 1.596 1.00 0.00 H new ATOM 0 HG CYS A 65 7.269 7.774 1.750 1.00 0.00 H new ATOM 1007 N THR A 66 2.207 8.573 3.078 1.00 0.00 N ATOM 1008 CA THR A 66 0.755 8.523 3.219 1.00 0.00 C ATOM 1009 C THR A 66 0.080 8.392 1.858 1.00 0.00 C ATOM 1010 O THR A 66 0.590 8.885 0.851 1.00 0.00 O ATOM 1011 CB THR A 66 0.248 9.776 3.934 1.00 0.00 C ATOM 1012 OG1 THR A 66 0.348 10.910 3.091 1.00 0.00 O ATOM 1013 CG2 THR A 66 1.003 10.084 5.209 1.00 0.00 C ATOM 0 H THR A 66 2.569 9.472 2.760 1.00 0.00 H new ATOM 0 HA THR A 66 0.503 7.646 3.815 1.00 0.00 H new ATOM 0 HB THR A 66 -0.790 9.563 4.188 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.017 11.701 3.566 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.593 10.985 5.666 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.904 9.248 5.902 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.057 10.241 4.979 1.00 0.00 H new ATOM 1021 N LEU A 67 -1.068 7.724 1.834 1.00 0.00 N ATOM 1022 CA LEU A 67 -1.813 7.528 0.596 1.00 0.00 C ATOM 1023 C LEU A 67 -2.512 8.816 0.170 1.00 0.00 C ATOM 1024 O LEU A 67 -2.978 9.587 1.010 1.00 0.00 O ATOM 1025 CB LEU A 67 -2.842 6.408 0.767 1.00 0.00 C ATOM 1026 CG LEU A 67 -3.493 5.923 -0.528 1.00 0.00 C ATOM 1027 CD1 LEU A 67 -2.449 5.329 -1.461 1.00 0.00 C ATOM 1028 CD2 LEU A 67 -4.583 4.906 -0.227 1.00 0.00 C ATOM 0 H LEU A 67 -1.503 7.309 2.658 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.105 7.246 -0.183 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.357 5.561 1.251 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.625 6.755 1.441 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.949 6.779 -1.026 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.931 4.989 -2.378 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.704 6.087 -1.703 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.963 4.485 -0.972 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.036 4.571 -1.160 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.150 4.052 0.293 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.345 5.365 0.402 1.00 0.00 H new ATOM 1040 N GLN A 68 -2.580 9.042 -1.137 1.00 0.00 N ATOM 1041 CA GLN A 68 -3.222 10.237 -1.673 1.00 0.00 C ATOM 1042 C GLN A 68 -4.734 10.179 -1.471 1.00 0.00 C ATOM 1043 O GLN A 68 -5.277 9.154 -1.061 1.00 0.00 O ATOM 1044 CB GLN A 68 -2.901 10.390 -3.161 1.00 0.00 C ATOM 1045 CG GLN A 68 -1.412 10.361 -3.468 1.00 0.00 C ATOM 1046 CD GLN A 68 -1.111 10.670 -4.921 1.00 0.00 C ATOM 1047 OE1 GLN A 68 -2.014 10.722 -5.757 1.00 0.00 O ATOM 1048 NE2 GLN A 68 0.163 10.877 -5.230 1.00 0.00 N ATOM 0 H GLN A 68 -2.199 8.414 -1.845 1.00 0.00 H new ATOM 0 HA GLN A 68 -2.834 11.101 -1.134 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -3.393 9.590 -3.715 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -3.319 11.330 -3.520 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -0.900 11.084 -2.833 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -1.012 9.378 -3.219 1.00 0.00 H new ATOM 0 HE21 GLN A 68 0.879 10.824 -4.505 1.00 0.00 H new ATOM 0 HE22 GLN A 68 0.426 11.089 -6.192 1.00 0.00 H new ATOM 1057 N ASP A 69 -5.406 11.288 -1.763 1.00 0.00 N ATOM 1058 CA ASP A 69 -6.855 11.366 -1.614 1.00 0.00 C ATOM 1059 C ASP A 69 -7.554 10.454 -2.618 1.00 0.00 C ATOM 1060 O ASP A 69 -8.235 9.502 -2.237 1.00 0.00 O ATOM 1061 CB ASP A 69 -7.331 12.808 -1.799 1.00 0.00 C ATOM 1062 CG ASP A 69 -7.372 13.574 -0.491 1.00 0.00 C ATOM 1063 OD1 ASP A 69 -6.304 14.041 -0.043 1.00 0.00 O ATOM 1064 OD2 ASP A 69 -8.473 13.708 0.083 1.00 0.00 O ATOM 0 H ASP A 69 -4.970 12.145 -2.104 1.00 0.00 H new ATOM 0 HA ASP A 69 -7.111 11.033 -0.608 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -6.668 13.320 -2.497 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -8.325 12.805 -2.247 1.00 0.00 H new ATOM 1069 N CYS A 70 -7.380 10.753 -3.901 1.00 0.00 N ATOM 1070 CA CYS A 70 -7.994 9.961 -4.961 1.00 0.00 C ATOM 1071 C CYS A 70 -7.543 8.504 -4.888 1.00 0.00 C ATOM 1072 O CYS A 70 -8.251 7.602 -5.336 1.00 0.00 O ATOM 1073 CB CYS A 70 -7.645 10.546 -6.330 1.00 0.00 C ATOM 1074 SG CYS A 70 -5.879 10.518 -6.717 1.00 0.00 S ATOM 0 H CYS A 70 -6.819 11.538 -4.232 1.00 0.00 H new ATOM 0 HA CYS A 70 -9.075 9.994 -4.823 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -8.183 9.991 -7.098 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -7.999 11.576 -6.374 1.00 0.00 H new ATOM 0 HG CYS A 70 -5.685 11.031 -7.895 1.00 0.00 H new ATOM 1080 N MET A 71 -6.361 8.281 -4.321 1.00 0.00 N ATOM 1081 CA MET A 71 -5.817 6.934 -4.190 1.00 0.00 C ATOM 1082 C MET A 71 -6.779 6.027 -3.428 1.00 0.00 C ATOM 1083 O MET A 71 -6.873 4.832 -3.705 1.00 0.00 O ATOM 1084 CB MET A 71 -4.464 6.975 -3.476 1.00 0.00 C ATOM 1085 CG MET A 71 -3.277 7.022 -4.424 1.00 0.00 C ATOM 1086 SD MET A 71 -2.734 5.381 -4.936 1.00 0.00 S ATOM 1087 CE MET A 71 -3.343 5.333 -6.620 1.00 0.00 C ATOM 0 H MET A 71 -5.762 9.016 -3.945 1.00 0.00 H new ATOM 0 HA MET A 71 -5.681 6.527 -5.192 1.00 0.00 H new ATOM 0 HB2 MET A 71 -4.433 7.848 -2.824 1.00 0.00 H new ATOM 0 HB3 MET A 71 -4.373 6.097 -2.837 1.00 0.00 H new ATOM 0 HG2 MET A 71 -3.544 7.604 -5.306 1.00 0.00 H new ATOM 0 HG3 MET A 71 -2.449 7.540 -3.939 1.00 0.00 H new ATOM 0 HE1 MET A 71 -3.546 4.300 -6.904 1.00 0.00 H new ATOM 0 HE2 MET A 71 -4.261 5.916 -6.692 1.00 0.00 H new ATOM 0 HE3 MET A 71 -2.593 5.753 -7.290 1.00 0.00 H new ATOM 1097 N TYR A 72 -7.491 6.605 -2.465 1.00 0.00 N ATOM 1098 CA TYR A 72 -8.446 5.849 -1.661 1.00 0.00 C ATOM 1099 C TYR A 72 -9.510 5.200 -2.543 1.00 0.00 C ATOM 1100 O TYR A 72 -10.048 4.146 -2.207 1.00 0.00 O ATOM 1101 CB TYR A 72 -9.109 6.761 -0.628 1.00 0.00 C ATOM 1102 CG TYR A 72 -8.277 6.972 0.617 1.00 0.00 C ATOM 1103 CD1 TYR A 72 -8.164 5.973 1.576 1.00 0.00 C ATOM 1104 CD2 TYR A 72 -7.605 8.168 0.832 1.00 0.00 C ATOM 1105 CE1 TYR A 72 -7.403 6.162 2.715 1.00 0.00 C ATOM 1106 CE2 TYR A 72 -6.842 8.364 1.968 1.00 0.00 C ATOM 1107 CZ TYR A 72 -6.745 7.358 2.907 1.00 0.00 C ATOM 1108 OH TYR A 72 -5.987 7.549 4.038 1.00 0.00 O ATOM 0 H TYR A 72 -7.425 7.594 -2.223 1.00 0.00 H new ATOM 0 HA TYR A 72 -7.901 5.060 -1.143 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -9.312 7.728 -1.087 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -10.071 6.335 -0.344 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -8.678 5.035 1.430 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -7.680 8.958 0.100 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -7.324 5.376 3.451 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -6.325 9.300 2.120 1.00 0.00 H new ATOM 0 HH TYR A 72 -5.865 6.693 4.498 1.00 0.00 H new ATOM 1118 N LYS A 73 -9.806 5.837 -3.671 1.00 0.00 N ATOM 1119 CA LYS A 73 -10.806 5.321 -4.600 1.00 0.00 C ATOM 1120 C LYS A 73 -10.365 3.983 -5.184 1.00 0.00 C ATOM 1121 O LYS A 73 -11.195 3.134 -5.509 1.00 0.00 O ATOM 1122 CB LYS A 73 -11.051 6.325 -5.728 1.00 0.00 C ATOM 1123 CG LYS A 73 -11.211 7.759 -5.244 1.00 0.00 C ATOM 1124 CD LYS A 73 -12.630 8.265 -5.451 1.00 0.00 C ATOM 1125 CE LYS A 73 -12.683 9.784 -5.463 1.00 0.00 C ATOM 1126 NZ LYS A 73 -13.735 10.295 -6.385 1.00 0.00 N ATOM 0 H LYS A 73 -9.368 6.711 -3.964 1.00 0.00 H new ATOM 0 HA LYS A 73 -11.734 5.170 -4.049 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -10.220 6.279 -6.431 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -11.948 6.033 -6.275 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.954 7.817 -4.186 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.513 8.404 -5.778 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -13.022 7.879 -6.392 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -13.273 7.884 -4.658 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -12.876 10.149 -4.454 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -11.713 10.179 -5.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -13.739 11.335 -6.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -13.537 9.968 -7.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -14.664 9.939 -6.083 1.00 0.00 H new ATOM 1140 N ASP A 74 -9.055 3.801 -5.314 1.00 0.00 N ATOM 1141 CA ASP A 74 -8.504 2.566 -5.859 1.00 0.00 C ATOM 1142 C ASP A 74 -8.641 1.418 -4.863 1.00 0.00 C ATOM 1143 O ASP A 74 -8.770 0.258 -5.251 1.00 0.00 O ATOM 1144 CB ASP A 74 -7.033 2.759 -6.231 1.00 0.00 C ATOM 1145 CG ASP A 74 -6.858 3.622 -7.465 1.00 0.00 C ATOM 1146 OD1 ASP A 74 -7.649 3.466 -8.418 1.00 0.00 O ATOM 1147 OD2 ASP A 74 -5.927 4.456 -7.479 1.00 0.00 O ATOM 0 H ASP A 74 -8.355 4.494 -5.049 1.00 0.00 H new ATOM 0 HA ASP A 74 -9.070 2.313 -6.756 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.506 3.216 -5.393 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -6.574 1.786 -6.403 1.00 0.00 H new ATOM 1152 N VAL A 75 -8.613 1.751 -3.575 1.00 0.00 N ATOM 1153 CA VAL A 75 -8.733 0.748 -2.525 1.00 0.00 C ATOM 1154 C VAL A 75 -10.048 -0.017 -2.644 1.00 0.00 C ATOM 1155 O VAL A 75 -11.112 0.579 -2.806 1.00 0.00 O ATOM 1156 CB VAL A 75 -8.649 1.386 -1.124 1.00 0.00 C ATOM 1157 CG1 VAL A 75 -8.634 0.313 -0.045 1.00 0.00 C ATOM 1158 CG2 VAL A 75 -7.420 2.278 -1.015 1.00 0.00 C ATOM 0 H VAL A 75 -8.508 2.707 -3.235 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.900 0.057 -2.652 1.00 0.00 H new ATOM 0 HB VAL A 75 -9.534 2.005 -0.975 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.574 0.784 0.936 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -9.547 -0.279 -0.108 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.770 -0.336 -0.189 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.378 2.719 -0.019 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.523 1.684 -1.187 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -7.478 3.071 -1.761 1.00 0.00 H new ATOM 1168 N GLN A 76 -9.966 -1.341 -2.562 1.00 0.00 N ATOM 1169 CA GLN A 76 -11.148 -2.188 -2.659 1.00 0.00 C ATOM 1170 C GLN A 76 -11.904 -2.222 -1.336 1.00 0.00 C ATOM 1171 O GLN A 76 -11.487 -1.605 -0.355 1.00 0.00 O ATOM 1172 CB GLN A 76 -10.754 -3.608 -3.070 1.00 0.00 C ATOM 1173 CG GLN A 76 -10.264 -3.713 -4.505 1.00 0.00 C ATOM 1174 CD GLN A 76 -9.712 -5.086 -4.833 1.00 0.00 C ATOM 1175 OE1 GLN A 76 -10.438 -6.081 -4.811 1.00 0.00 O ATOM 1176 NE2 GLN A 76 -8.422 -5.149 -5.139 1.00 0.00 N ATOM 0 H GLN A 76 -9.092 -1.850 -2.429 1.00 0.00 H new ATOM 0 HA GLN A 76 -11.803 -1.765 -3.421 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -9.972 -3.967 -2.401 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -11.613 -4.266 -2.939 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -11.086 -3.484 -5.183 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -9.491 -2.964 -4.677 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -7.857 -4.300 -5.145 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -7.995 -6.047 -5.368 1.00 0.00 H new ATOM 1185 N LYS A 77 -13.017 -2.948 -1.316 1.00 0.00 N ATOM 1186 CA LYS A 77 -13.833 -3.064 -0.112 1.00 0.00 C ATOM 1187 C LYS A 77 -13.764 -4.475 0.465 1.00 0.00 C ATOM 1188 O LYS A 77 -13.999 -4.680 1.656 1.00 0.00 O ATOM 1189 CB LYS A 77 -15.286 -2.699 -0.420 1.00 0.00 C ATOM 1190 CG LYS A 77 -15.534 -1.200 -0.496 1.00 0.00 C ATOM 1191 CD LYS A 77 -16.248 -0.685 0.745 1.00 0.00 C ATOM 1192 CE LYS A 77 -17.597 -0.073 0.400 1.00 0.00 C ATOM 1193 NZ LYS A 77 -17.898 1.121 1.239 1.00 0.00 N ATOM 0 H LYS A 77 -13.375 -3.465 -2.119 1.00 0.00 H new ATOM 0 HA LYS A 77 -13.438 -2.370 0.630 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -15.573 -3.155 -1.367 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -15.930 -3.127 0.348 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -14.584 -0.679 -0.612 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -16.131 -0.974 -1.380 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -16.389 -1.504 1.451 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -15.626 0.060 1.241 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -17.608 0.211 -0.652 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -18.380 -0.819 0.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -18.826 1.508 0.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -17.913 0.846 2.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -17.166 1.844 1.089 1.00 0.00 H new ATOM 1207 N ASP A 78 -13.442 -5.447 -0.385 1.00 0.00 N ATOM 1208 CA ASP A 78 -13.346 -6.837 0.046 1.00 0.00 C ATOM 1209 C ASP A 78 -11.892 -7.300 0.082 1.00 0.00 C ATOM 1210 O ASP A 78 -11.578 -8.422 -0.316 1.00 0.00 O ATOM 1211 CB ASP A 78 -14.161 -7.736 -0.887 1.00 0.00 C ATOM 1212 CG ASP A 78 -15.058 -8.694 -0.128 1.00 0.00 C ATOM 1213 OD1 ASP A 78 -15.672 -8.266 0.872 1.00 0.00 O ATOM 1214 OD2 ASP A 78 -15.147 -9.872 -0.533 1.00 0.00 O ATOM 0 H ASP A 78 -13.244 -5.297 -1.374 1.00 0.00 H new ATOM 0 HA ASP A 78 -13.752 -6.908 1.055 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -14.770 -7.116 -1.544 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -13.483 -8.304 -1.523 1.00 0.00 H new ATOM 1219 N TRP A 79 -11.009 -6.430 0.563 1.00 0.00 N ATOM 1220 CA TRP A 79 -9.591 -6.754 0.652 1.00 0.00 C ATOM 1221 C TRP A 79 -9.363 -7.933 1.600 1.00 0.00 C ATOM 1222 O TRP A 79 -9.696 -7.859 2.782 1.00 0.00 O ATOM 1223 CB TRP A 79 -8.799 -5.536 1.135 1.00 0.00 C ATOM 1224 CG TRP A 79 -7.324 -5.785 1.238 1.00 0.00 C ATOM 1225 CD1 TRP A 79 -6.583 -5.850 2.382 1.00 0.00 C ATOM 1226 CD2 TRP A 79 -6.412 -5.998 0.155 1.00 0.00 C ATOM 1227 NE1 TRP A 79 -5.265 -6.093 2.076 1.00 0.00 N ATOM 1228 CE2 TRP A 79 -5.134 -6.187 0.716 1.00 0.00 C ATOM 1229 CE3 TRP A 79 -6.550 -6.049 -1.236 1.00 0.00 C ATOM 1230 CZ2 TRP A 79 -4.006 -6.424 -0.065 1.00 0.00 C ATOM 1231 CZ3 TRP A 79 -5.429 -6.283 -2.009 1.00 0.00 C ATOM 1232 CH2 TRP A 79 -4.171 -6.468 -1.422 1.00 0.00 C ATOM 0 H TRP A 79 -11.251 -5.497 0.896 1.00 0.00 H new ATOM 0 HA TRP A 79 -9.242 -7.035 -0.342 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -8.972 -4.705 0.451 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -9.177 -5.230 2.111 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -6.975 -5.728 3.381 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -4.507 -6.188 2.752 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -7.516 -5.908 -1.698 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -3.035 -6.568 0.385 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -5.524 -6.324 -3.084 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -3.314 -6.649 -2.054 1.00 0.00 H new ATOM 1243 N PRO A 80 -8.790 -9.042 1.094 1.00 0.00 N ATOM 1244 CA PRO A 80 -8.525 -10.233 1.909 1.00 0.00 C ATOM 1245 C PRO A 80 -7.760 -9.903 3.186 1.00 0.00 C ATOM 1246 O PRO A 80 -7.884 -10.600 4.193 1.00 0.00 O ATOM 1247 CB PRO A 80 -7.675 -11.113 0.989 1.00 0.00 C ATOM 1248 CG PRO A 80 -8.052 -10.694 -0.389 1.00 0.00 C ATOM 1249 CD PRO A 80 -8.358 -9.224 -0.306 1.00 0.00 C ATOM 0 HA PRO A 80 -9.446 -10.709 2.244 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -6.611 -10.964 1.171 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -7.881 -12.171 1.152 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -7.240 -10.884 -1.091 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -8.918 -11.253 -0.744 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -7.482 -8.618 -0.538 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -9.140 -8.936 -1.008 1.00 0.00 H new ATOM 1257 N GLY A 81 -6.970 -8.836 3.138 1.00 0.00 N ATOM 1258 CA GLY A 81 -6.196 -8.433 4.298 1.00 0.00 C ATOM 1259 C GLY A 81 -7.069 -8.127 5.500 1.00 0.00 C ATOM 1260 O GLY A 81 -6.814 -8.616 6.600 1.00 0.00 O ATOM 0 H GLY A 81 -6.852 -8.243 2.317 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.493 -9.226 4.555 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -5.605 -7.552 4.048 1.00 0.00 H new ATOM 1264 N TYR A 82 -8.100 -7.316 5.289 1.00 0.00 N ATOM 1265 CA TYR A 82 -9.013 -6.945 6.364 1.00 0.00 C ATOM 1266 C TYR A 82 -9.930 -8.109 6.726 1.00 0.00 C ATOM 1267 O TYR A 82 -10.020 -9.092 5.989 1.00 0.00 O ATOM 1268 CB TYR A 82 -9.850 -5.729 5.957 1.00 0.00 C ATOM 1269 CG TYR A 82 -9.058 -4.654 5.244 1.00 0.00 C ATOM 1270 CD1 TYR A 82 -7.757 -4.352 5.627 1.00 0.00 C ATOM 1271 CD2 TYR A 82 -9.613 -3.942 4.189 1.00 0.00 C ATOM 1272 CE1 TYR A 82 -7.032 -3.370 4.978 1.00 0.00 C ATOM 1273 CE2 TYR A 82 -8.895 -2.958 3.535 1.00 0.00 C ATOM 1274 CZ TYR A 82 -7.605 -2.677 3.933 1.00 0.00 C ATOM 1275 OH TYR A 82 -6.886 -1.699 3.284 1.00 0.00 O ATOM 0 H TYR A 82 -8.324 -6.903 4.384 1.00 0.00 H new ATOM 0 HA TYR A 82 -8.416 -6.690 7.240 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -10.662 -6.059 5.309 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -10.307 -5.300 6.848 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -7.305 -4.893 6.445 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -10.623 -4.161 3.874 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -6.022 -3.147 5.288 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -9.342 -2.413 2.717 1.00 0.00 H new ATOM 0 HH TYR A 82 -6.047 -1.537 3.764 1.00 0.00 H new ATOM 1285 N SER A 83 -10.607 -7.992 7.863 1.00 0.00 N ATOM 1286 CA SER A 83 -11.517 -9.034 8.322 1.00 0.00 C ATOM 1287 C SER A 83 -12.620 -8.447 9.198 1.00 0.00 C ATOM 1288 O SER A 83 -13.802 -8.716 8.988 1.00 0.00 O ATOM 1289 CB SER A 83 -10.749 -10.106 9.098 1.00 0.00 C ATOM 1290 OG SER A 83 -11.584 -11.206 9.414 1.00 0.00 O ATOM 0 H SER A 83 -10.542 -7.185 8.484 1.00 0.00 H new ATOM 0 HA SER A 83 -11.978 -9.490 7.446 1.00 0.00 H new ATOM 0 HB2 SER A 83 -9.900 -10.449 8.507 1.00 0.00 H new ATOM 0 HB3 SER A 83 -10.346 -9.676 10.015 1.00 0.00 H new ATOM 0 HG SER A 83 -12.121 -10.992 10.205 1.00 0.00 H new ATOM 1296 N GLU A 84 -12.223 -7.645 10.181 1.00 0.00 N ATOM 1297 CA GLU A 84 -13.178 -7.020 11.089 1.00 0.00 C ATOM 1298 C GLU A 84 -12.628 -5.708 11.638 1.00 0.00 C ATOM 1299 O GLU A 84 -13.222 -4.646 11.446 1.00 0.00 O ATOM 1300 CB GLU A 84 -13.514 -7.969 12.241 1.00 0.00 C ATOM 1301 CG GLU A 84 -14.740 -8.830 11.981 1.00 0.00 C ATOM 1302 CD GLU A 84 -14.392 -10.164 11.350 1.00 0.00 C ATOM 1303 OE1 GLU A 84 -13.511 -10.865 11.892 1.00 0.00 O ATOM 1304 OE2 GLU A 84 -15.001 -10.508 10.316 1.00 0.00 O ATOM 0 H GLU A 84 -11.248 -7.413 10.369 1.00 0.00 H new ATOM 0 HA GLU A 84 -14.088 -6.805 10.528 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.658 -8.617 12.428 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -13.676 -7.385 13.147 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -15.264 -9.003 12.921 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -15.426 -8.291 11.328 1.00 0.00 H new ATOM 1311 N GLY A 85 -11.492 -5.787 12.321 1.00 0.00 N ATOM 1312 CA GLY A 85 -10.881 -4.599 12.887 1.00 0.00 C ATOM 1313 C GLY A 85 -10.439 -3.612 11.825 1.00 0.00 C ATOM 1314 O GLY A 85 -10.670 -2.410 11.951 1.00 0.00 O ATOM 0 H GLY A 85 -10.983 -6.654 12.493 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -11.590 -4.113 13.557 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -10.020 -4.889 13.490 1.00 0.00 H new ATOM 1318 N ASP A 86 -9.802 -4.121 10.777 1.00 0.00 N ATOM 1319 CA ASP A 86 -9.325 -3.276 9.687 1.00 0.00 C ATOM 1320 C ASP A 86 -10.494 -2.728 8.872 1.00 0.00 C ATOM 1321 O ASP A 86 -10.451 -1.597 8.389 1.00 0.00 O ATOM 1322 CB ASP A 86 -8.380 -4.063 8.779 1.00 0.00 C ATOM 1323 CG ASP A 86 -7.105 -4.472 9.488 1.00 0.00 C ATOM 1324 OD1 ASP A 86 -6.552 -3.642 10.241 1.00 0.00 O ATOM 1325 OD2 ASP A 86 -6.657 -5.621 9.291 1.00 0.00 O ATOM 0 H ASP A 86 -9.604 -5.114 10.658 1.00 0.00 H new ATOM 0 HA ASP A 86 -8.783 -2.436 10.122 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.890 -4.954 8.413 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -8.130 -3.458 7.908 1.00 0.00 H new ATOM 1330 N GLN A 87 -11.537 -3.539 8.726 1.00 0.00 N ATOM 1331 CA GLN A 87 -12.717 -3.136 7.971 1.00 0.00 C ATOM 1332 C GLN A 87 -13.358 -1.896 8.584 1.00 0.00 C ATOM 1333 O GLN A 87 -13.597 -0.903 7.896 1.00 0.00 O ATOM 1334 CB GLN A 87 -13.733 -4.279 7.924 1.00 0.00 C ATOM 1335 CG GLN A 87 -13.188 -5.553 7.299 1.00 0.00 C ATOM 1336 CD GLN A 87 -14.208 -6.257 6.426 1.00 0.00 C ATOM 1337 OE1 GLN A 87 -15.412 -6.026 6.548 1.00 0.00 O ATOM 1338 NE2 GLN A 87 -13.731 -7.122 5.538 1.00 0.00 N ATOM 0 H GLN A 87 -11.589 -4.478 9.120 1.00 0.00 H new ATOM 0 HA GLN A 87 -12.403 -2.896 6.955 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -14.069 -4.497 8.938 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -14.608 -3.953 7.361 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -12.308 -5.313 6.702 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -12.862 -6.230 8.089 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -12.726 -7.282 5.471 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -14.370 -7.626 4.923 1.00 0.00 H new ATOM 1347 N GLN A 88 -13.635 -1.959 9.883 1.00 0.00 N ATOM 1348 CA GLN A 88 -14.248 -0.840 10.588 1.00 0.00 C ATOM 1349 C GLN A 88 -13.324 0.373 10.591 1.00 0.00 C ATOM 1350 O GLN A 88 -13.775 1.509 10.452 1.00 0.00 O ATOM 1351 CB GLN A 88 -14.588 -1.242 12.025 1.00 0.00 C ATOM 1352 CG GLN A 88 -15.732 -2.238 12.124 1.00 0.00 C ATOM 1353 CD GLN A 88 -16.796 -1.810 13.115 1.00 0.00 C ATOM 1354 OE1 GLN A 88 -16.492 -1.240 14.163 1.00 0.00 O ATOM 1355 NE2 GLN A 88 -18.053 -2.084 12.788 1.00 0.00 N ATOM 0 H GLN A 88 -13.445 -2.773 10.468 1.00 0.00 H new ATOM 0 HA GLN A 88 -15.166 -0.572 10.066 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -13.702 -1.672 12.493 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -14.846 -0.348 12.592 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -16.186 -2.363 11.141 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -15.337 -3.210 12.418 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -18.260 -2.558 11.909 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -18.812 -1.820 13.416 1.00 0.00 H new ATOM 1364 N LEU A 89 -12.029 0.123 10.750 1.00 0.00 N ATOM 1365 CA LEU A 89 -11.041 1.196 10.770 1.00 0.00 C ATOM 1366 C LEU A 89 -10.900 1.832 9.391 1.00 0.00 C ATOM 1367 O LEU A 89 -10.663 3.034 9.272 1.00 0.00 O ATOM 1368 CB LEU A 89 -9.685 0.661 11.239 1.00 0.00 C ATOM 1369 CG LEU A 89 -8.623 1.730 11.500 1.00 0.00 C ATOM 1370 CD1 LEU A 89 -8.717 2.235 12.932 1.00 0.00 C ATOM 1371 CD2 LEU A 89 -7.234 1.181 11.216 1.00 0.00 C ATOM 0 H LEU A 89 -11.639 -0.812 10.867 1.00 0.00 H new ATOM 0 HA LEU A 89 -11.384 1.959 11.469 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -9.834 0.088 12.154 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -9.305 -0.031 10.488 1.00 0.00 H new ATOM 0 HG LEU A 89 -8.804 2.569 10.828 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -7.954 2.995 13.101 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -9.703 2.667 13.101 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -8.561 1.405 13.621 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -6.491 1.955 11.407 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -7.042 0.325 11.863 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -7.172 0.868 10.174 1.00 0.00 H new ATOM 1383 N LEU A 90 -11.050 1.017 8.352 1.00 0.00 N ATOM 1384 CA LEU A 90 -10.940 1.500 6.980 1.00 0.00 C ATOM 1385 C LEU A 90 -12.135 2.375 6.614 1.00 0.00 C ATOM 1386 O LEU A 90 -12.012 3.311 5.823 1.00 0.00 O ATOM 1387 CB LEU A 90 -10.841 0.322 6.010 1.00 0.00 C ATOM 1388 CG LEU A 90 -10.561 0.703 4.555 1.00 0.00 C ATOM 1389 CD1 LEU A 90 -9.072 0.621 4.259 1.00 0.00 C ATOM 1390 CD2 LEU A 90 -11.344 -0.194 3.607 1.00 0.00 C ATOM 0 H LEU A 90 -11.248 0.020 8.434 1.00 0.00 H new ATOM 0 HA LEU A 90 -10.035 2.102 6.904 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -10.051 -0.346 6.353 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -11.774 -0.241 6.049 1.00 0.00 H new ATOM 0 HG LEU A 90 -10.886 1.732 4.401 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -8.892 0.895 3.220 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -8.533 1.306 4.914 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.722 -0.397 4.431 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -11.132 0.092 2.577 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -11.051 -1.232 3.763 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -12.411 -0.085 3.801 1.00 0.00 H new ATOM 1402 N LYS A 91 -13.289 2.065 7.194 1.00 0.00 N ATOM 1403 CA LYS A 91 -14.506 2.823 6.929 1.00 0.00 C ATOM 1404 C LYS A 91 -14.347 4.278 7.354 1.00 0.00 C ATOM 1405 O LYS A 91 -14.541 5.194 6.555 1.00 0.00 O ATOM 1406 CB LYS A 91 -15.693 2.193 7.662 1.00 0.00 C ATOM 1407 CG LYS A 91 -16.038 0.795 7.175 1.00 0.00 C ATOM 1408 CD LYS A 91 -17.294 0.793 6.317 1.00 0.00 C ATOM 1409 CE LYS A 91 -18.202 -0.376 6.660 1.00 0.00 C ATOM 1410 NZ LYS A 91 -18.730 -0.281 8.050 1.00 0.00 N ATOM 0 H LYS A 91 -13.407 1.294 7.851 1.00 0.00 H new ATOM 0 HA LYS A 91 -14.693 2.796 5.855 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -15.470 2.152 8.728 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -16.565 2.836 7.543 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -15.204 0.394 6.600 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -16.181 0.136 8.031 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -17.835 1.729 6.460 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -17.016 0.742 5.264 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -19.034 -0.407 5.957 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -17.651 -1.309 6.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -19.634 -0.791 8.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -18.047 -0.704 8.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -18.878 0.718 8.298 1.00 0.00 H new ATOM 1424 N ARG A 92 -13.993 4.484 8.619 1.00 0.00 N ATOM 1425 CA ARG A 92 -13.808 5.828 9.154 1.00 0.00 C ATOM 1426 C ARG A 92 -12.780 6.607 8.340 1.00 0.00 C ATOM 1427 O ARG A 92 -12.963 7.793 8.062 1.00 0.00 O ATOM 1428 CB ARG A 92 -13.368 5.760 10.619 1.00 0.00 C ATOM 1429 CG ARG A 92 -12.142 4.891 10.847 1.00 0.00 C ATOM 1430 CD ARG A 92 -11.784 4.808 12.322 1.00 0.00 C ATOM 1431 NE ARG A 92 -12.737 3.992 13.071 1.00 0.00 N ATOM 1432 CZ ARG A 92 -12.483 3.465 14.267 1.00 0.00 C ATOM 1433 NH1 ARG A 92 -11.309 3.668 14.853 1.00 0.00 N ATOM 1434 NH2 ARG A 92 -13.404 2.735 14.879 1.00 0.00 N ATOM 0 H ARG A 92 -13.828 3.736 9.293 1.00 0.00 H new ATOM 0 HA ARG A 92 -14.763 6.349 9.090 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -13.159 6.769 10.974 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -14.192 5.375 11.220 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -12.328 3.889 10.460 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -11.298 5.297 10.289 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -10.784 4.388 12.429 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -11.755 5.812 12.745 1.00 0.00 H new ATOM 0 HE ARG A 92 -13.651 3.816 12.653 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -10.597 4.230 14.387 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -11.119 3.262 15.769 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -14.308 2.577 14.434 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -13.209 2.331 15.795 1.00 0.00 H new ATOM 1448 N VAL A 93 -11.699 5.934 7.959 1.00 0.00 N ATOM 1449 CA VAL A 93 -10.643 6.564 7.176 1.00 0.00 C ATOM 1450 C VAL A 93 -11.180 7.081 5.845 1.00 0.00 C ATOM 1451 O VAL A 93 -10.864 8.195 5.428 1.00 0.00 O ATOM 1452 CB VAL A 93 -9.484 5.585 6.905 1.00 0.00 C ATOM 1453 CG1 VAL A 93 -8.333 6.296 6.208 1.00 0.00 C ATOM 1454 CG2 VAL A 93 -9.013 4.940 8.199 1.00 0.00 C ATOM 0 H VAL A 93 -11.532 4.952 8.180 1.00 0.00 H new ATOM 0 HA VAL A 93 -10.270 7.402 7.764 1.00 0.00 H new ATOM 0 HB VAL A 93 -9.848 4.798 6.245 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -7.525 5.588 6.026 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -8.679 6.704 5.258 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -7.970 7.106 6.840 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -8.195 4.252 7.986 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -8.668 5.713 8.886 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -9.838 4.392 8.654 1.00 0.00 H new ATOM 1464 N LEU A 94 -11.994 6.264 5.183 1.00 0.00 N ATOM 1465 CA LEU A 94 -12.575 6.639 3.900 1.00 0.00 C ATOM 1466 C LEU A 94 -13.506 7.837 4.053 1.00 0.00 C ATOM 1467 O LEU A 94 -13.521 8.736 3.211 1.00 0.00 O ATOM 1468 CB LEU A 94 -13.339 5.459 3.298 1.00 0.00 C ATOM 1469 CG LEU A 94 -12.468 4.410 2.606 1.00 0.00 C ATOM 1470 CD1 LEU A 94 -13.230 3.104 2.445 1.00 0.00 C ATOM 1471 CD2 LEU A 94 -11.993 4.921 1.254 1.00 0.00 C ATOM 0 H LEU A 94 -12.266 5.338 5.515 1.00 0.00 H new ATOM 0 HA LEU A 94 -11.762 6.917 3.229 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -13.908 4.972 4.090 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -14.061 5.843 2.577 1.00 0.00 H new ATOM 0 HG LEU A 94 -11.594 4.222 3.230 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -12.594 2.370 1.951 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -13.521 2.729 3.426 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -14.122 3.275 1.843 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -11.374 4.162 0.775 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -12.855 5.137 0.623 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -11.408 5.830 1.394 1.00 0.00 H new ATOM 1483 N VAL A 95 -14.284 7.843 5.131 1.00 0.00 N ATOM 1484 CA VAL A 95 -15.219 8.930 5.393 1.00 0.00 C ATOM 1485 C VAL A 95 -14.484 10.200 5.810 1.00 0.00 C ATOM 1486 O VAL A 95 -14.907 11.309 5.484 1.00 0.00 O ATOM 1487 CB VAL A 95 -16.228 8.551 6.493 1.00 0.00 C ATOM 1488 CG1 VAL A 95 -17.306 9.616 6.620 1.00 0.00 C ATOM 1489 CG2 VAL A 95 -16.844 7.188 6.205 1.00 0.00 C ATOM 0 H VAL A 95 -14.285 7.107 5.837 1.00 0.00 H new ATOM 0 HA VAL A 95 -15.758 9.113 4.463 1.00 0.00 H new ATOM 0 HB VAL A 95 -15.697 8.491 7.443 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -18.009 9.330 7.402 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -16.846 10.570 6.876 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -17.836 9.712 5.673 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -17.554 6.936 6.992 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -17.361 7.218 5.246 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -16.058 6.433 6.171 1.00 0.00 H new ATOM 1499 N ARG A 96 -13.381 10.030 6.532 1.00 0.00 N ATOM 1500 CA ARG A 96 -12.589 11.164 6.994 1.00 0.00 C ATOM 1501 C ARG A 96 -11.847 11.819 5.831 1.00 0.00 C ATOM 1502 O ARG A 96 -11.637 13.031 5.820 1.00 0.00 O ATOM 1503 CB ARG A 96 -11.593 10.714 8.066 1.00 0.00 C ATOM 1504 CG ARG A 96 -11.749 11.451 9.387 1.00 0.00 C ATOM 1505 CD ARG A 96 -12.778 10.779 10.282 1.00 0.00 C ATOM 1506 NE ARG A 96 -14.090 11.414 10.180 1.00 0.00 N ATOM 1507 CZ ARG A 96 -15.062 11.254 11.075 1.00 0.00 C ATOM 1508 NH1 ARG A 96 -14.874 10.481 12.138 1.00 0.00 N ATOM 1509 NH2 ARG A 96 -16.224 11.869 10.907 1.00 0.00 N ATOM 0 H ARG A 96 -13.016 9.119 6.809 1.00 0.00 H new ATOM 0 HA ARG A 96 -13.268 11.899 7.427 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -11.716 9.645 8.239 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -10.579 10.862 7.694 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -10.788 11.488 9.900 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -12.049 12.482 9.197 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -12.862 9.727 10.011 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -12.437 10.815 11.317 1.00 0.00 H new ATOM 0 HE ARG A 96 -14.272 12.015 9.376 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -13.981 10.006 12.272 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -15.622 10.362 12.821 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -16.373 12.464 10.092 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -16.969 11.747 11.592 1.00 0.00 H new ATOM 1523 N LYS A 97 -11.454 11.006 4.855 1.00 0.00 N ATOM 1524 CA LYS A 97 -10.736 11.506 3.688 1.00 0.00 C ATOM 1525 C LYS A 97 -11.710 11.980 2.613 1.00 0.00 C ATOM 1526 O LYS A 97 -11.701 13.148 2.224 1.00 0.00 O ATOM 1527 CB LYS A 97 -9.823 10.419 3.120 1.00 0.00 C ATOM 1528 CG LYS A 97 -8.837 9.862 4.134 1.00 0.00 C ATOM 1529 CD LYS A 97 -7.591 10.728 4.234 1.00 0.00 C ATOM 1530 CE LYS A 97 -6.602 10.167 5.243 1.00 0.00 C ATOM 1531 NZ LYS A 97 -6.678 10.879 6.549 1.00 0.00 N ATOM 0 H LYS A 97 -11.620 10.000 4.849 1.00 0.00 H new ATOM 0 HA LYS A 97 -10.128 12.354 4.003 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -10.437 9.604 2.737 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -9.270 10.826 2.274 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -9.316 9.797 5.111 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -8.555 8.848 3.850 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -7.115 10.797 3.256 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -7.873 11.740 4.523 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -6.801 9.106 5.396 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -5.591 10.247 4.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -5.988 10.467 7.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -6.463 11.887 6.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -7.636 10.781 6.943 1.00 0.00 H new