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 58 MET CE :methyl -159:sc= -0.126 (180deg=0) USER MOD Set 1.2: A 65 CYS SG : rot 120:sc= -1.85 USER MOD Set 2.1: A 19 HIS : no HE2:sc= -2.47 K(o=-3.2,f=-7!) USER MOD Set 2.2: A 82 TYR OH : rot 15:sc= -0.693 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+ 140:sc= -0.248 (180deg=-1.11) USER MOD Single : A 36 GLN : amide:sc= -0.0614 X(o=-0.061,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.0843 USER MOD Single : A 42 GLN : amide:sc=-0.00296 X(o=-0.003,f=-0.003) 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=-0.0029) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) 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 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.627 K(o=-0.63,f=-2.7!) USER MOD Single : A 70 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -143:sc= -4.28! (180deg=-11.7!) USER MOD Single : A 72 TYR OH : rot 2:sc= 0.0842 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -0.0582 K(o=-0.058,f=-0.67) USER MOD Single : A 77 LYS NZ :NH3+ -117:sc= -0.0946 (180deg=-0.943) USER MOD Single : A 83 SER OG : rot 36:sc= 0.286 USER MOD Single : A 87 GLN : amide:sc= -0.513 K(o=-0.51,f=-2.5) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 91 LYS NZ :NH3+ -132:sc= -0.271 (180deg=-1.38!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 68 N VAL A 8 -3.146 -12.363 -0.366 1.00 0.00 N ATOM 69 CA VAL A 8 -2.402 -11.111 -0.433 1.00 0.00 C ATOM 70 C VAL A 8 -1.323 -11.170 -1.510 1.00 0.00 C ATOM 71 O VAL A 8 -1.078 -10.189 -2.211 1.00 0.00 O ATOM 72 CB VAL A 8 -1.744 -10.775 0.918 1.00 0.00 C ATOM 73 CG1 VAL A 8 -1.146 -9.377 0.887 1.00 0.00 C ATOM 74 CG2 VAL A 8 -2.752 -10.906 2.049 1.00 0.00 C ATOM 0 HA VAL A 8 -3.120 -10.330 -0.683 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.938 -11.486 1.096 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.685 -9.157 1.850 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -0.391 -9.321 0.103 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.932 -8.649 0.686 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.269 -10.665 2.996 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -3.581 -10.219 1.879 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -3.129 -11.928 2.084 1.00 0.00 H new ATOM 84 N SER A 9 -0.683 -12.328 -1.637 1.00 0.00 N ATOM 85 CA SER A 9 0.369 -12.515 -2.629 1.00 0.00 C ATOM 86 C SER A 9 -0.219 -12.635 -4.030 1.00 0.00 C ATOM 87 O SER A 9 0.404 -12.233 -5.013 1.00 0.00 O ATOM 88 CB SER A 9 1.193 -13.762 -2.301 1.00 0.00 C ATOM 89 OG SER A 9 2.287 -13.444 -1.457 1.00 0.00 O ATOM 0 H SER A 9 -0.875 -13.151 -1.065 1.00 0.00 H new ATOM 0 HA SER A 9 1.019 -11.640 -2.601 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.559 -14.503 -1.815 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.560 -14.212 -3.223 1.00 0.00 H new ATOM 0 HG SER A 9 2.796 -14.258 -1.261 1.00 0.00 H new ATOM 95 N GLN A 10 -1.424 -13.189 -4.115 1.00 0.00 N ATOM 96 CA GLN A 10 -2.098 -13.362 -5.397 1.00 0.00 C ATOM 97 C GLN A 10 -2.436 -12.010 -6.020 1.00 0.00 C ATOM 98 O GLN A 10 -2.343 -11.836 -7.235 1.00 0.00 O ATOM 99 CB GLN A 10 -3.373 -14.190 -5.218 1.00 0.00 C ATOM 100 CG GLN A 10 -3.511 -15.318 -6.228 1.00 0.00 C ATOM 101 CD GLN A 10 -3.262 -16.683 -5.616 1.00 0.00 C ATOM 102 OE1 GLN A 10 -2.129 -17.030 -5.282 1.00 0.00 O ATOM 103 NE2 GLN A 10 -4.324 -17.467 -5.467 1.00 0.00 N ATOM 0 H GLN A 10 -1.954 -13.526 -3.311 1.00 0.00 H new ATOM 0 HA GLN A 10 -1.422 -13.891 -6.068 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -3.386 -14.610 -4.212 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.238 -13.532 -5.300 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -4.512 -15.294 -6.659 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.808 -15.157 -7.045 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -5.245 -17.139 -5.758 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -4.218 -18.397 -5.062 1.00 0.00 H new ATOM 112 N ARG A 11 -2.828 -11.059 -5.179 1.00 0.00 N ATOM 113 CA ARG A 11 -3.180 -9.723 -5.648 1.00 0.00 C ATOM 114 C ARG A 11 -1.929 -8.921 -5.997 1.00 0.00 C ATOM 115 O ARG A 11 -0.849 -9.177 -5.466 1.00 0.00 O ATOM 116 CB ARG A 11 -3.991 -8.984 -4.581 1.00 0.00 C ATOM 117 CG ARG A 11 -5.124 -9.812 -3.997 1.00 0.00 C ATOM 118 CD ARG A 11 -6.388 -9.695 -4.833 1.00 0.00 C ATOM 119 NE ARG A 11 -7.535 -10.321 -4.181 1.00 0.00 N ATOM 120 CZ ARG A 11 -7.692 -11.638 -4.062 1.00 0.00 C ATOM 121 NH1 ARG A 11 -6.778 -12.470 -4.547 1.00 0.00 N ATOM 122 NH2 ARG A 11 -8.766 -12.124 -3.454 1.00 0.00 N ATOM 0 H ARG A 11 -2.910 -11.188 -4.170 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.785 -9.829 -6.548 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -3.323 -8.678 -3.776 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -4.404 -8.074 -5.016 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -4.820 -10.857 -3.940 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.329 -9.483 -2.978 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.605 -8.643 -5.017 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.224 -10.161 -5.805 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.258 -9.714 -3.794 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -5.949 -12.101 -5.014 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -6.904 -13.478 -4.452 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -9.470 -11.489 -3.078 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -8.887 -13.133 -3.362 1.00 0.00 H new ATOM 136 N PRO A 12 -2.061 -7.933 -6.900 1.00 0.00 N ATOM 137 CA PRO A 12 -0.935 -7.092 -7.319 1.00 0.00 C ATOM 138 C PRO A 12 -0.185 -6.494 -6.133 1.00 0.00 C ATOM 139 O PRO A 12 -0.766 -6.261 -5.073 1.00 0.00 O ATOM 140 CB PRO A 12 -1.603 -5.987 -8.140 1.00 0.00 C ATOM 141 CG PRO A 12 -2.858 -6.605 -8.650 1.00 0.00 C ATOM 142 CD PRO A 12 -3.313 -7.560 -7.582 1.00 0.00 C ATOM 0 HA PRO A 12 -0.187 -7.660 -7.872 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.813 -5.110 -7.528 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -0.962 -5.658 -8.958 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.616 -5.846 -8.844 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -2.682 -7.127 -9.591 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -4.019 -7.090 -6.897 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.813 -8.430 -8.008 1.00 0.00 H new ATOM 150 N PHE A 13 1.108 -6.250 -6.319 1.00 0.00 N ATOM 151 CA PHE A 13 1.937 -5.680 -5.264 1.00 0.00 C ATOM 152 C PHE A 13 1.483 -4.265 -4.920 1.00 0.00 C ATOM 153 O PHE A 13 1.580 -3.832 -3.772 1.00 0.00 O ATOM 154 CB PHE A 13 3.406 -5.667 -5.691 1.00 0.00 C ATOM 155 CG PHE A 13 4.338 -5.170 -4.622 1.00 0.00 C ATOM 156 CD1 PHE A 13 4.673 -5.978 -3.547 1.00 0.00 C ATOM 157 CD2 PHE A 13 4.877 -3.896 -4.692 1.00 0.00 C ATOM 158 CE1 PHE A 13 5.529 -5.524 -2.562 1.00 0.00 C ATOM 159 CE2 PHE A 13 5.734 -3.437 -3.710 1.00 0.00 C ATOM 160 CZ PHE A 13 6.060 -4.252 -2.643 1.00 0.00 C ATOM 0 H PHE A 13 1.604 -6.438 -7.190 1.00 0.00 H new ATOM 0 HA PHE A 13 1.830 -6.303 -4.376 1.00 0.00 H new ATOM 0 HB2 PHE A 13 3.701 -6.676 -5.979 1.00 0.00 H new ATOM 0 HB3 PHE A 13 3.513 -5.039 -6.576 1.00 0.00 H new ATOM 0 HD1 PHE A 13 4.260 -6.974 -3.478 1.00 0.00 H new ATOM 0 HD2 PHE A 13 4.625 -3.254 -5.523 1.00 0.00 H new ATOM 0 HE1 PHE A 13 5.783 -6.164 -1.729 1.00 0.00 H new ATOM 0 HE2 PHE A 13 6.149 -2.442 -3.776 1.00 0.00 H new ATOM 0 HZ PHE A 13 6.729 -3.895 -1.874 1.00 0.00 H new ATOM 170 N ARG A 14 0.986 -3.549 -5.924 1.00 0.00 N ATOM 171 CA ARG A 14 0.515 -2.183 -5.729 1.00 0.00 C ATOM 172 C ARG A 14 -0.685 -2.149 -4.789 1.00 0.00 C ATOM 173 O ARG A 14 -0.808 -1.251 -3.956 1.00 0.00 O ATOM 174 CB ARG A 14 0.144 -1.552 -7.073 1.00 0.00 C ATOM 175 CG ARG A 14 -0.051 -0.047 -7.005 1.00 0.00 C ATOM 176 CD ARG A 14 -0.446 0.523 -8.358 1.00 0.00 C ATOM 177 NE ARG A 14 -1.825 0.194 -8.711 1.00 0.00 N ATOM 178 CZ ARG A 14 -2.889 0.703 -8.095 1.00 0.00 C ATOM 179 NH1 ARG A 14 -2.739 1.564 -7.095 1.00 0.00 N ATOM 180 NH2 ARG A 14 -4.109 0.350 -8.479 1.00 0.00 N ATOM 0 H ARG A 14 0.899 -3.892 -6.881 1.00 0.00 H new ATOM 0 HA ARG A 14 1.323 -1.608 -5.277 1.00 0.00 H new ATOM 0 HB2 ARG A 14 0.926 -1.776 -7.798 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -0.773 -2.013 -7.440 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -0.821 0.189 -6.270 1.00 0.00 H new ATOM 0 HG3 ARG A 14 0.870 0.426 -6.664 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -0.324 1.606 -8.344 1.00 0.00 H new ATOM 0 HD3 ARG A 14 0.226 0.136 -9.124 1.00 0.00 H new ATOM 0 HE ARG A 14 -1.981 -0.464 -9.474 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -1.804 1.839 -6.795 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -3.559 1.950 -6.627 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -4.231 -0.311 -9.246 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -4.925 0.740 -8.007 1.00 0.00 H new ATOM 194 N ASP A 15 -1.567 -3.133 -4.928 1.00 0.00 N ATOM 195 CA ASP A 15 -2.758 -3.216 -4.092 1.00 0.00 C ATOM 196 C ASP A 15 -2.382 -3.389 -2.623 1.00 0.00 C ATOM 197 O ASP A 15 -3.008 -2.806 -1.739 1.00 0.00 O ATOM 198 CB ASP A 15 -3.644 -4.378 -4.543 1.00 0.00 C ATOM 199 CG ASP A 15 -4.384 -4.074 -5.830 1.00 0.00 C ATOM 200 OD1 ASP A 15 -3.920 -3.196 -6.589 1.00 0.00 O ATOM 201 OD2 ASP A 15 -5.428 -4.713 -6.081 1.00 0.00 O ATOM 0 H ASP A 15 -1.479 -3.884 -5.612 1.00 0.00 H new ATOM 0 HA ASP A 15 -3.311 -2.283 -4.199 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -3.029 -5.267 -4.682 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -4.365 -4.608 -3.758 1.00 0.00 H new ATOM 206 N ARG A 16 -1.355 -4.194 -2.372 1.00 0.00 N ATOM 207 CA ARG A 16 -0.894 -4.444 -1.011 1.00 0.00 C ATOM 208 C ARG A 16 -0.453 -3.147 -0.340 1.00 0.00 C ATOM 209 O ARG A 16 -0.792 -2.888 0.815 1.00 0.00 O ATOM 210 CB ARG A 16 0.260 -5.449 -1.016 1.00 0.00 C ATOM 211 CG ARG A 16 -0.160 -6.856 -1.409 1.00 0.00 C ATOM 212 CD ARG A 16 0.833 -7.491 -2.370 1.00 0.00 C ATOM 213 NE ARG A 16 1.275 -8.806 -1.912 1.00 0.00 N ATOM 214 CZ ARG A 16 2.178 -8.992 -0.952 1.00 0.00 C ATOM 215 NH1 ARG A 16 2.736 -7.950 -0.346 1.00 0.00 N ATOM 216 NH2 ARG A 16 2.524 -10.221 -0.594 1.00 0.00 N ATOM 0 H ARG A 16 -0.826 -4.684 -3.093 1.00 0.00 H new ATOM 0 HA ARG A 16 -1.726 -4.861 -0.443 1.00 0.00 H new ATOM 0 HB2 ARG A 16 1.029 -5.103 -1.706 1.00 0.00 H new ATOM 0 HB3 ARG A 16 0.711 -5.477 -0.024 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -0.247 -7.473 -0.515 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.146 -6.826 -1.872 1.00 0.00 H new ATOM 0 HD2 ARG A 16 0.375 -7.585 -3.355 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.698 -6.837 -2.482 1.00 0.00 H new ATOM 0 HE ARG A 16 0.868 -9.630 -2.354 1.00 0.00 H new ATOM 0 HH11 ARG A 16 2.473 -7.002 -0.616 1.00 0.00 H new ATOM 0 HH12 ARG A 16 3.427 -8.098 0.389 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.098 -11.025 -1.054 1.00 0.00 H new ATOM 0 HH22 ARG A 16 3.216 -10.362 0.142 1.00 0.00 H new ATOM 230 N VAL A 17 0.305 -2.336 -1.071 1.00 0.00 N ATOM 231 CA VAL A 17 0.792 -1.067 -0.546 1.00 0.00 C ATOM 232 C VAL A 17 -0.309 -0.011 -0.554 1.00 0.00 C ATOM 233 O VAL A 17 -0.402 0.810 0.358 1.00 0.00 O ATOM 234 CB VAL A 17 1.992 -0.546 -1.359 1.00 0.00 C ATOM 235 CG1 VAL A 17 2.594 0.686 -0.698 1.00 0.00 C ATOM 236 CG2 VAL A 17 3.039 -1.638 -1.523 1.00 0.00 C ATOM 0 H VAL A 17 0.595 -2.536 -2.028 1.00 0.00 H new ATOM 0 HA VAL A 17 1.110 -1.250 0.480 1.00 0.00 H new ATOM 0 HB VAL A 17 1.639 -0.260 -2.350 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.440 1.038 -1.288 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.841 1.472 -0.639 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.933 0.431 0.306 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.880 -1.252 -2.100 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.389 -1.957 -0.541 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.600 -2.488 -2.046 1.00 0.00 H new ATOM 246 N LEU A 18 -1.141 -0.039 -1.591 1.00 0.00 N ATOM 247 CA LEU A 18 -2.237 0.915 -1.718 1.00 0.00 C ATOM 248 C LEU A 18 -3.233 0.756 -0.574 1.00 0.00 C ATOM 249 O LEU A 18 -3.877 1.719 -0.160 1.00 0.00 O ATOM 250 CB LEU A 18 -2.947 0.730 -3.060 1.00 0.00 C ATOM 251 CG LEU A 18 -4.155 1.642 -3.284 1.00 0.00 C ATOM 252 CD1 LEU A 18 -3.713 2.989 -3.834 1.00 0.00 C ATOM 253 CD2 LEU A 18 -5.151 0.982 -4.224 1.00 0.00 C ATOM 0 H LEU A 18 -1.077 -0.712 -2.355 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.819 1.920 -1.672 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.228 0.901 -3.861 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.274 -0.307 -3.141 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.644 1.808 -2.324 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.586 3.624 -3.987 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.036 3.467 -3.126 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.200 2.843 -4.784 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.004 1.644 -4.373 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.672 0.787 -5.183 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.492 0.042 -3.791 1.00 0.00 H new ATOM 265 N HIS A 19 -3.357 -0.468 -0.070 1.00 0.00 N ATOM 266 CA HIS A 19 -4.277 -0.753 1.026 1.00 0.00 C ATOM 267 C HIS A 19 -3.643 -0.421 2.372 1.00 0.00 C ATOM 268 O HIS A 19 -4.299 0.121 3.262 1.00 0.00 O ATOM 269 CB HIS A 19 -4.697 -2.223 0.996 1.00 0.00 C ATOM 270 CG HIS A 19 -5.868 -2.493 0.100 1.00 0.00 C ATOM 271 ND1 HIS A 19 -5.757 -2.772 -1.244 1.00 0.00 N ATOM 272 CD2 HIS A 19 -7.194 -2.525 0.381 1.00 0.00 C ATOM 273 CE1 HIS A 19 -6.992 -2.959 -1.727 1.00 0.00 C ATOM 274 NE2 HIS A 19 -7.901 -2.821 -0.781 1.00 0.00 N ATOM 0 H HIS A 19 -2.833 -1.277 -0.402 1.00 0.00 H new ATOM 0 HA HIS A 19 -5.159 -0.126 0.898 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -3.852 -2.827 0.667 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -4.943 -2.543 2.009 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -4.889 -2.827 -1.777 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -7.632 -2.349 1.352 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -7.215 -3.193 -2.758 1.00 0.00 H new ATOM 282 N LEU A 20 -2.362 -0.749 2.515 1.00 0.00 N ATOM 283 CA LEU A 20 -1.639 -0.486 3.754 1.00 0.00 C ATOM 284 C LEU A 20 -1.637 1.006 4.076 1.00 0.00 C ATOM 285 O LEU A 20 -2.038 1.416 5.166 1.00 0.00 O ATOM 286 CB LEU A 20 -0.202 -0.999 3.650 1.00 0.00 C ATOM 287 CG LEU A 20 -0.035 -2.503 3.873 1.00 0.00 C ATOM 288 CD1 LEU A 20 1.319 -2.970 3.362 1.00 0.00 C ATOM 289 CD2 LEU A 20 -0.197 -2.843 5.347 1.00 0.00 C ATOM 0 H LEU A 20 -1.804 -1.197 1.788 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.147 -1.013 4.561 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.187 -0.748 2.663 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.411 -0.469 4.379 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.811 -3.024 3.313 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.421 -4.042 3.529 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.398 -2.760 2.295 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.110 -2.443 3.895 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.075 -3.917 5.488 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.558 -2.313 5.928 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.190 -2.543 5.683 1.00 0.00 H new ATOM 301 N LEU A 21 -1.183 1.811 3.122 1.00 0.00 N ATOM 302 CA LEU A 21 -1.128 3.257 3.304 1.00 0.00 C ATOM 303 C LEU A 21 -2.517 3.824 3.584 1.00 0.00 C ATOM 304 O LEU A 21 -2.662 4.811 4.305 1.00 0.00 O ATOM 305 CB LEU A 21 -0.534 3.927 2.064 1.00 0.00 C ATOM 306 CG LEU A 21 0.819 3.373 1.612 1.00 0.00 C ATOM 307 CD1 LEU A 21 1.164 3.878 0.220 1.00 0.00 C ATOM 308 CD2 LEU A 21 1.906 3.753 2.605 1.00 0.00 C ATOM 0 H LEU A 21 -0.848 1.487 2.215 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.489 3.465 4.163 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.243 3.828 1.242 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.424 4.993 2.263 1.00 0.00 H new ATOM 0 HG LEU A 21 0.753 2.286 1.574 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.129 3.474 -0.085 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.397 3.556 -0.484 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.213 4.967 0.230 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.862 3.351 2.269 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.972 4.839 2.674 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.664 3.341 3.585 1.00 0.00 H new ATOM 320 N ALA A 22 -3.535 3.192 3.009 1.00 0.00 N ATOM 321 CA ALA A 22 -4.912 3.633 3.196 1.00 0.00 C ATOM 322 C ALA A 22 -5.302 3.610 4.670 1.00 0.00 C ATOM 323 O ALA A 22 -6.014 4.494 5.148 1.00 0.00 O ATOM 324 CB ALA A 22 -5.859 2.762 2.385 1.00 0.00 C ATOM 0 H ALA A 22 -3.432 2.373 2.410 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.988 4.662 2.843 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.884 3.102 2.534 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.603 2.833 1.328 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.770 1.726 2.711 1.00 0.00 H new ATOM 330 N LEU A 23 -4.831 2.595 5.387 1.00 0.00 N ATOM 331 CA LEU A 23 -5.131 2.459 6.807 1.00 0.00 C ATOM 332 C LEU A 23 -4.405 3.525 7.621 1.00 0.00 C ATOM 333 O LEU A 23 -5.027 4.449 8.146 1.00 0.00 O ATOM 334 CB LEU A 23 -4.736 1.066 7.302 1.00 0.00 C ATOM 335 CG LEU A 23 -5.784 -0.024 7.072 1.00 0.00 C ATOM 336 CD1 LEU A 23 -5.317 -1.347 7.658 1.00 0.00 C ATOM 337 CD2 LEU A 23 -7.119 0.387 7.676 1.00 0.00 C ATOM 0 H LEU A 23 -4.240 1.855 5.008 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.204 2.594 6.941 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.811 0.770 6.807 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.522 1.123 8.369 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.917 -0.154 5.998 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.076 -2.110 7.484 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.384 -1.648 7.180 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.155 -1.233 8.730 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -7.854 -0.399 7.504 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.000 0.544 8.748 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.460 1.311 7.209 1.00 0.00 H new ATOM 349 N ARG A 24 -3.087 3.391 7.722 1.00 0.00 N ATOM 350 CA ARG A 24 -2.277 4.345 8.471 1.00 0.00 C ATOM 351 C ARG A 24 -0.962 4.629 7.748 1.00 0.00 C ATOM 352 O ARG A 24 -0.427 3.764 7.054 1.00 0.00 O ATOM 353 CB ARG A 24 -1.993 3.814 9.879 1.00 0.00 C ATOM 354 CG ARG A 24 -1.630 2.337 9.912 1.00 0.00 C ATOM 355 CD ARG A 24 -0.378 2.083 10.739 1.00 0.00 C ATOM 356 NE ARG A 24 -0.688 1.455 12.022 1.00 0.00 N ATOM 357 CZ ARG A 24 -1.062 2.128 13.108 1.00 0.00 C ATOM 358 NH1 ARG A 24 -1.179 3.451 13.073 1.00 0.00 N ATOM 359 NH2 ARG A 24 -1.321 1.477 14.234 1.00 0.00 N ATOM 0 H ARG A 24 -2.557 2.631 7.295 1.00 0.00 H new ATOM 0 HA ARG A 24 -2.838 5.276 8.548 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -1.178 4.390 10.318 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.871 3.978 10.504 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.462 1.767 10.326 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.473 1.978 8.895 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.304 1.444 10.178 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.140 3.026 10.913 1.00 0.00 H new ATOM 0 HE ARG A 24 -0.613 0.440 12.089 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -0.982 3.958 12.210 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -1.466 3.960 13.909 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -1.234 0.461 14.268 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.608 1.992 15.066 1.00 0.00 H new ATOM 373 N PRO A 25 -0.421 5.850 7.903 1.00 0.00 N ATOM 374 CA PRO A 25 0.838 6.243 7.261 1.00 0.00 C ATOM 375 C PRO A 25 1.969 5.266 7.566 1.00 0.00 C ATOM 376 O PRO A 25 2.398 5.136 8.713 1.00 0.00 O ATOM 377 CB PRO A 25 1.138 7.615 7.868 1.00 0.00 C ATOM 378 CG PRO A 25 -0.188 8.139 8.297 1.00 0.00 C ATOM 379 CD PRO A 25 -0.992 6.940 8.715 1.00 0.00 C ATOM 0 HA PRO A 25 0.755 6.255 6.174 1.00 0.00 H new ATOM 0 HB2 PRO A 25 1.823 7.533 8.712 1.00 0.00 H new ATOM 0 HB3 PRO A 25 1.608 8.276 7.139 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -0.081 8.844 9.122 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -0.678 8.673 7.483 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -0.893 6.741 9.782 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -2.054 7.078 8.514 1.00 0.00 H new ATOM 387 N TYR A 26 2.449 4.582 6.533 1.00 0.00 N ATOM 388 CA TYR A 26 3.530 3.617 6.691 1.00 0.00 C ATOM 389 C TYR A 26 4.827 4.148 6.091 1.00 0.00 C ATOM 390 O TYR A 26 4.914 4.386 4.886 1.00 0.00 O ATOM 391 CB TYR A 26 3.155 2.289 6.032 1.00 0.00 C ATOM 392 CG TYR A 26 2.442 1.331 6.960 1.00 0.00 C ATOM 393 CD1 TYR A 26 3.120 0.708 8.000 1.00 0.00 C ATOM 394 CD2 TYR A 26 1.092 1.051 6.795 1.00 0.00 C ATOM 395 CE1 TYR A 26 2.472 -0.168 8.851 1.00 0.00 C ATOM 396 CE2 TYR A 26 0.437 0.176 7.641 1.00 0.00 C ATOM 397 CZ TYR A 26 1.130 -0.430 8.667 1.00 0.00 C ATOM 398 OH TYR A 26 0.481 -1.301 9.511 1.00 0.00 O ATOM 0 H TYR A 26 2.106 4.678 5.577 1.00 0.00 H new ATOM 0 HA TYR A 26 3.686 3.455 7.758 1.00 0.00 H new ATOM 0 HB2 TYR A 26 2.518 2.488 5.170 1.00 0.00 H new ATOM 0 HB3 TYR A 26 4.060 1.811 5.656 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.171 0.911 8.146 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.545 1.524 5.993 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.013 -0.644 9.655 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.613 -0.032 7.499 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.459 -1.374 9.245 1.00 0.00 H new ATOM 408 N ARG A 27 5.835 4.331 6.938 1.00 0.00 N ATOM 409 CA ARG A 27 7.128 4.835 6.492 1.00 0.00 C ATOM 410 C ARG A 27 7.774 3.871 5.501 1.00 0.00 C ATOM 411 O ARG A 27 7.184 2.854 5.135 1.00 0.00 O ATOM 412 CB ARG A 27 8.057 5.050 7.688 1.00 0.00 C ATOM 413 CG ARG A 27 7.529 6.059 8.695 1.00 0.00 C ATOM 414 CD ARG A 27 8.660 6.733 9.453 1.00 0.00 C ATOM 415 NE ARG A 27 9.305 5.824 10.397 1.00 0.00 N ATOM 416 CZ ARG A 27 8.803 5.516 11.591 1.00 0.00 C ATOM 417 NH1 ARG A 27 7.651 6.041 11.989 1.00 0.00 N ATOM 418 NH2 ARG A 27 9.453 4.680 12.388 1.00 0.00 N ATOM 0 H ARG A 27 5.781 4.137 7.938 1.00 0.00 H new ATOM 0 HA ARG A 27 6.964 5.790 5.992 1.00 0.00 H new ATOM 0 HB2 ARG A 27 8.215 4.096 8.191 1.00 0.00 H new ATOM 0 HB3 ARG A 27 9.029 5.385 7.327 1.00 0.00 H new ATOM 0 HG2 ARG A 27 6.935 6.813 8.179 1.00 0.00 H new ATOM 0 HG3 ARG A 27 6.865 5.558 9.400 1.00 0.00 H new ATOM 0 HD2 ARG A 27 9.400 7.105 8.744 1.00 0.00 H new ATOM 0 HD3 ARG A 27 8.271 7.598 9.991 1.00 0.00 H new ATOM 0 HE ARG A 27 10.192 5.400 10.125 1.00 0.00 H new ATOM 0 HH11 ARG A 27 7.146 6.684 11.379 1.00 0.00 H new ATOM 0 HH12 ARG A 27 7.271 5.802 12.905 1.00 0.00 H new ATOM 0 HH21 ARG A 27 10.338 4.272 12.087 1.00 0.00 H new ATOM 0 HH22 ARG A 27 9.068 4.444 13.303 1.00 0.00 H new ATOM 432 N LYS A 28 8.988 4.197 5.071 1.00 0.00 N ATOM 433 CA LYS A 28 9.712 3.360 4.122 1.00 0.00 C ATOM 434 C LYS A 28 10.174 2.065 4.784 1.00 0.00 C ATOM 435 O LYS A 28 10.163 1.001 4.164 1.00 0.00 O ATOM 436 CB LYS A 28 10.916 4.119 3.556 1.00 0.00 C ATOM 437 CG LYS A 28 10.775 4.469 2.084 1.00 0.00 C ATOM 438 CD LYS A 28 12.075 4.240 1.327 1.00 0.00 C ATOM 439 CE LYS A 28 12.237 2.783 0.927 1.00 0.00 C ATOM 440 NZ LYS A 28 11.082 2.295 0.125 1.00 0.00 N ATOM 0 H LYS A 28 9.491 5.034 5.364 1.00 0.00 H new ATOM 0 HA LYS A 28 9.036 3.108 3.305 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.058 5.036 4.127 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.813 3.515 3.693 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.984 3.865 1.640 1.00 0.00 H new ATOM 0 HG3 LYS A 28 10.474 5.512 1.985 1.00 0.00 H new ATOM 0 HD2 LYS A 28 12.094 4.867 0.436 1.00 0.00 H new ATOM 0 HD3 LYS A 28 12.917 4.544 1.948 1.00 0.00 H new ATOM 0 HE2 LYS A 28 13.155 2.665 0.351 1.00 0.00 H new ATOM 0 HE3 LYS A 28 12.342 2.170 1.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 11.426 1.682 -0.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.437 1.755 0.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.575 3.106 -0.282 1.00 0.00 H new ATOM 454 N ALA A 29 10.577 2.161 6.047 1.00 0.00 N ATOM 455 CA ALA A 29 11.041 0.998 6.791 1.00 0.00 C ATOM 456 C ALA A 29 9.872 0.246 7.418 1.00 0.00 C ATOM 457 O ALA A 29 9.820 -0.984 7.383 1.00 0.00 O ATOM 458 CB ALA A 29 12.035 1.419 7.863 1.00 0.00 C ATOM 0 H ALA A 29 10.591 3.033 6.576 1.00 0.00 H new ATOM 0 HA ALA A 29 11.540 0.326 6.092 1.00 0.00 H new ATOM 0 HB1 ALA A 29 12.373 0.540 8.411 1.00 0.00 H new ATOM 0 HB2 ALA A 29 12.890 1.906 7.395 1.00 0.00 H new ATOM 0 HB3 ALA A 29 11.554 2.113 8.552 1.00 0.00 H new ATOM 464 N GLU A 30 8.933 0.992 7.990 1.00 0.00 N ATOM 465 CA GLU A 30 7.763 0.397 8.623 1.00 0.00 C ATOM 466 C GLU A 30 6.940 -0.391 7.609 1.00 0.00 C ATOM 467 O GLU A 30 6.318 -1.399 7.948 1.00 0.00 O ATOM 468 CB GLU A 30 6.898 1.482 9.268 1.00 0.00 C ATOM 469 CG GLU A 30 6.312 1.076 10.610 1.00 0.00 C ATOM 470 CD GLU A 30 4.891 1.569 10.800 1.00 0.00 C ATOM 471 OE1 GLU A 30 4.655 2.783 10.622 1.00 0.00 O ATOM 472 OE2 GLU A 30 4.014 0.742 11.127 1.00 0.00 O ATOM 0 H GLU A 30 8.960 2.011 8.028 1.00 0.00 H new ATOM 0 HA GLU A 30 8.108 -0.289 9.397 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.498 2.382 9.401 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.085 1.738 8.589 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.330 -0.010 10.696 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.939 1.470 11.410 1.00 0.00 H new ATOM 479 N LEU A 31 6.941 0.075 6.365 1.00 0.00 N ATOM 480 CA LEU A 31 6.194 -0.585 5.300 1.00 0.00 C ATOM 481 C LEU A 31 6.929 -1.828 4.809 1.00 0.00 C ATOM 482 O LEU A 31 6.308 -2.803 4.387 1.00 0.00 O ATOM 483 CB LEU A 31 5.965 0.380 4.135 1.00 0.00 C ATOM 484 CG LEU A 31 4.941 -0.087 3.100 1.00 0.00 C ATOM 485 CD1 LEU A 31 3.617 -0.415 3.771 1.00 0.00 C ATOM 486 CD2 LEU A 31 4.751 0.974 2.026 1.00 0.00 C ATOM 0 H LEU A 31 7.451 0.907 6.069 1.00 0.00 H new ATOM 0 HA LEU A 31 5.229 -0.892 5.704 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.641 1.340 4.537 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.917 0.550 3.631 1.00 0.00 H new ATOM 0 HG LEU A 31 5.317 -0.993 2.625 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.900 -0.746 3.019 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.767 -1.208 4.503 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.233 0.474 4.272 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.019 0.627 1.297 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.396 1.897 2.485 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.702 1.160 1.526 1.00 0.00 H new ATOM 498 N LEU A 32 8.257 -1.785 4.864 1.00 0.00 N ATOM 499 CA LEU A 32 9.078 -2.907 4.424 1.00 0.00 C ATOM 500 C LEU A 32 8.844 -4.131 5.303 1.00 0.00 C ATOM 501 O LEU A 32 8.748 -5.253 4.808 1.00 0.00 O ATOM 502 CB LEU A 32 10.558 -2.523 4.448 1.00 0.00 C ATOM 503 CG LEU A 32 11.061 -1.807 3.195 1.00 0.00 C ATOM 504 CD1 LEU A 32 12.437 -1.208 3.439 1.00 0.00 C ATOM 505 CD2 LEU A 32 11.097 -2.764 2.013 1.00 0.00 C ATOM 0 H LEU A 32 8.787 -0.985 5.209 1.00 0.00 H new ATOM 0 HA LEU A 32 8.791 -3.156 3.402 1.00 0.00 H new ATOM 0 HB2 LEU A 32 10.737 -1.882 5.311 1.00 0.00 H new ATOM 0 HB3 LEU A 32 11.150 -3.427 4.594 1.00 0.00 H new ATOM 0 HG LEU A 32 10.371 -0.997 2.961 1.00 0.00 H new ATOM 0 HD11 LEU A 32 12.779 -0.702 2.536 1.00 0.00 H new ATOM 0 HD12 LEU A 32 12.382 -0.491 4.258 1.00 0.00 H new ATOM 0 HD13 LEU A 32 13.138 -2.001 3.698 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.458 -2.237 1.129 1.00 0.00 H new ATOM 0 HD22 LEU A 32 11.765 -3.595 2.238 1.00 0.00 H new ATOM 0 HD23 LEU A 32 10.094 -3.146 1.824 1.00 0.00 H new ATOM 517 N LEU A 33 8.751 -3.907 6.610 1.00 0.00 N ATOM 518 CA LEU A 33 8.529 -4.992 7.558 1.00 0.00 C ATOM 519 C LEU A 33 7.219 -5.714 7.262 1.00 0.00 C ATOM 520 O LEU A 33 7.167 -6.944 7.246 1.00 0.00 O ATOM 521 CB LEU A 33 8.515 -4.451 8.990 1.00 0.00 C ATOM 522 CG LEU A 33 9.852 -3.898 9.486 1.00 0.00 C ATOM 523 CD1 LEU A 33 9.649 -3.054 10.735 1.00 0.00 C ATOM 524 CD2 LEU A 33 10.828 -5.032 9.760 1.00 0.00 C ATOM 0 H LEU A 33 8.826 -2.983 7.036 1.00 0.00 H new ATOM 0 HA LEU A 33 9.347 -5.705 7.454 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.766 -3.662 9.057 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.198 -5.250 9.661 1.00 0.00 H new ATOM 0 HG LEU A 33 10.273 -3.263 8.707 1.00 0.00 H new ATOM 0 HD11 LEU A 33 10.611 -2.669 11.074 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.984 -2.221 10.507 1.00 0.00 H new ATOM 0 HD13 LEU A 33 9.206 -3.667 11.520 1.00 0.00 H new ATOM 0 HD21 LEU A 33 11.774 -4.621 10.112 1.00 0.00 H new ATOM 0 HD22 LEU A 33 10.414 -5.693 10.522 1.00 0.00 H new ATOM 0 HD23 LEU A 33 10.997 -5.596 8.843 1.00 0.00 H new ATOM 536 N ARG A 34 6.163 -4.942 7.028 1.00 0.00 N ATOM 537 CA ARG A 34 4.853 -5.508 6.732 1.00 0.00 C ATOM 538 C ARG A 34 4.893 -6.335 5.451 1.00 0.00 C ATOM 539 O ARG A 34 4.476 -7.493 5.434 1.00 0.00 O ATOM 540 CB ARG A 34 3.810 -4.396 6.600 1.00 0.00 C ATOM 541 CG ARG A 34 2.422 -4.804 7.067 1.00 0.00 C ATOM 542 CD ARG A 34 2.435 -5.293 8.507 1.00 0.00 C ATOM 543 NE ARG A 34 1.490 -4.557 9.344 1.00 0.00 N ATOM 544 CZ ARG A 34 0.172 -4.732 9.304 1.00 0.00 C ATOM 545 NH1 ARG A 34 -0.362 -5.617 8.470 1.00 0.00 N ATOM 546 NH2 ARG A 34 -0.616 -4.021 10.098 1.00 0.00 N ATOM 0 H ARG A 34 6.189 -3.922 7.038 1.00 0.00 H new ATOM 0 HA ARG A 34 4.575 -6.162 7.558 1.00 0.00 H new ATOM 0 HB2 ARG A 34 4.138 -3.531 7.176 1.00 0.00 H new ATOM 0 HB3 ARG A 34 3.756 -4.082 5.558 1.00 0.00 H new ATOM 0 HG2 ARG A 34 1.744 -3.956 6.977 1.00 0.00 H new ATOM 0 HG3 ARG A 34 2.036 -5.591 6.419 1.00 0.00 H new ATOM 0 HD2 ARG A 34 2.190 -6.355 8.531 1.00 0.00 H new ATOM 0 HD3 ARG A 34 3.440 -5.188 8.916 1.00 0.00 H new ATOM 0 HE ARG A 34 1.863 -3.868 9.998 1.00 0.00 H new ATOM 0 HH11 ARG A 34 0.239 -6.167 7.856 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -1.373 -5.747 8.443 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -0.212 -3.339 10.740 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -1.627 -4.156 10.067 1.00 0.00 H new ATOM 560 N LEU A 35 5.398 -5.732 4.379 1.00 0.00 N ATOM 561 CA LEU A 35 5.493 -6.412 3.093 1.00 0.00 C ATOM 562 C LEU A 35 6.373 -7.653 3.197 1.00 0.00 C ATOM 563 O LEU A 35 6.167 -8.635 2.483 1.00 0.00 O ATOM 564 CB LEU A 35 6.052 -5.463 2.030 1.00 0.00 C ATOM 565 CG LEU A 35 5.236 -4.190 1.806 1.00 0.00 C ATOM 566 CD1 LEU A 35 6.009 -3.205 0.944 1.00 0.00 C ATOM 567 CD2 LEU A 35 3.896 -4.522 1.167 1.00 0.00 C ATOM 0 H LEU A 35 5.748 -4.774 4.376 1.00 0.00 H new ATOM 0 HA LEU A 35 4.490 -6.724 2.800 1.00 0.00 H new ATOM 0 HB2 LEU A 35 7.066 -5.181 2.313 1.00 0.00 H new ATOM 0 HB3 LEU A 35 6.123 -6.002 1.085 1.00 0.00 H new ATOM 0 HG LEU A 35 5.050 -3.726 2.774 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.412 -2.305 0.795 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.944 -2.943 1.440 1.00 0.00 H new ATOM 0 HD13 LEU A 35 6.226 -3.660 -0.022 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.328 -3.604 1.015 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.062 -5.010 0.206 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.336 -5.190 1.821 1.00 0.00 H new ATOM 579 N GLN A 36 7.358 -7.602 4.088 1.00 0.00 N ATOM 580 CA GLN A 36 8.270 -8.723 4.285 1.00 0.00 C ATOM 581 C GLN A 36 7.587 -9.855 5.047 1.00 0.00 C ATOM 582 O GLN A 36 7.898 -11.029 4.845 1.00 0.00 O ATOM 583 CB GLN A 36 9.520 -8.262 5.039 1.00 0.00 C ATOM 584 CG GLN A 36 10.739 -8.093 4.147 1.00 0.00 C ATOM 585 CD GLN A 36 12.042 -8.238 4.908 1.00 0.00 C ATOM 586 OE1 GLN A 36 12.841 -7.304 4.979 1.00 0.00 O ATOM 587 NE2 GLN A 36 12.265 -9.415 5.481 1.00 0.00 N ATOM 0 H GLN A 36 7.545 -6.796 4.685 1.00 0.00 H new ATOM 0 HA GLN A 36 8.563 -9.098 3.305 1.00 0.00 H new ATOM 0 HB2 GLN A 36 9.307 -7.314 5.533 1.00 0.00 H new ATOM 0 HB3 GLN A 36 9.750 -8.985 5.822 1.00 0.00 H new ATOM 0 HG2 GLN A 36 10.705 -8.833 3.347 1.00 0.00 H new ATOM 0 HG3 GLN A 36 10.706 -7.111 3.674 1.00 0.00 H new ATOM 0 HE21 GLN A 36 11.575 -10.162 5.397 1.00 0.00 H new ATOM 0 HE22 GLN A 36 13.126 -9.572 6.005 1.00 0.00 H new ATOM 596 N LYS A 37 6.654 -9.493 5.922 1.00 0.00 N ATOM 597 CA LYS A 37 5.927 -10.479 6.714 1.00 0.00 C ATOM 598 C LYS A 37 5.175 -11.455 5.814 1.00 0.00 C ATOM 599 O LYS A 37 4.988 -12.620 6.166 1.00 0.00 O ATOM 600 CB LYS A 37 4.948 -9.782 7.661 1.00 0.00 C ATOM 601 CG LYS A 37 5.599 -9.254 8.928 1.00 0.00 C ATOM 602 CD LYS A 37 5.462 -10.240 10.078 1.00 0.00 C ATOM 603 CE LYS A 37 6.732 -10.305 10.914 1.00 0.00 C ATOM 604 NZ LYS A 37 7.235 -11.699 11.053 1.00 0.00 N ATOM 0 H LYS A 37 6.384 -8.526 6.100 1.00 0.00 H new ATOM 0 HA LYS A 37 6.652 -11.041 7.302 1.00 0.00 H new ATOM 0 HB2 LYS A 37 4.473 -8.954 7.134 1.00 0.00 H new ATOM 0 HB3 LYS A 37 4.158 -10.482 7.933 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.654 -9.056 8.741 1.00 0.00 H new ATOM 0 HG3 LYS A 37 5.141 -8.304 9.205 1.00 0.00 H new ATOM 0 HD2 LYS A 37 4.624 -9.948 10.711 1.00 0.00 H new ATOM 0 HD3 LYS A 37 5.234 -11.230 9.684 1.00 0.00 H new ATOM 0 HE2 LYS A 37 7.502 -9.686 10.453 1.00 0.00 H new ATOM 0 HE3 LYS A 37 6.537 -9.889 11.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 8.101 -11.700 11.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 6.511 -12.285 11.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 7.445 -12.088 10.112 1.00 0.00 H new ATOM 618 N ASP A 38 4.748 -10.971 4.653 1.00 0.00 N ATOM 619 CA ASP A 38 4.017 -11.801 3.703 1.00 0.00 C ATOM 620 C ASP A 38 4.942 -12.316 2.605 1.00 0.00 C ATOM 621 O ASP A 38 4.764 -13.423 2.097 1.00 0.00 O ATOM 622 CB ASP A 38 2.862 -11.009 3.083 1.00 0.00 C ATOM 623 CG ASP A 38 1.601 -11.837 2.945 1.00 0.00 C ATOM 624 OD1 ASP A 38 1.714 -13.048 2.658 1.00 0.00 O ATOM 625 OD2 ASP A 38 0.499 -11.276 3.125 1.00 0.00 O ATOM 0 H ASP A 38 4.895 -10.009 4.347 1.00 0.00 H new ATOM 0 HA ASP A 38 3.613 -12.657 4.244 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.653 -10.134 3.699 1.00 0.00 H new ATOM 0 HB3 ASP A 38 3.162 -10.643 2.101 1.00 0.00 H new ATOM 630 N GLY A 39 5.932 -11.506 2.245 1.00 0.00 N ATOM 631 CA GLY A 39 6.871 -11.897 1.211 1.00 0.00 C ATOM 632 C GLY A 39 7.344 -10.719 0.382 1.00 0.00 C ATOM 633 O GLY A 39 6.581 -10.156 -0.401 1.00 0.00 O ATOM 0 H GLY A 39 6.101 -10.586 2.651 1.00 0.00 H new ATOM 0 HA2 GLY A 39 7.732 -12.383 1.671 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.402 -12.632 0.557 1.00 0.00 H new ATOM 637 N LEU A 40 8.609 -10.346 0.554 1.00 0.00 N ATOM 638 CA LEU A 40 9.183 -9.228 -0.183 1.00 0.00 C ATOM 639 C LEU A 40 10.640 -9.502 -0.542 1.00 0.00 C ATOM 640 O LEU A 40 11.425 -9.939 0.299 1.00 0.00 O ATOM 641 CB LEU A 40 9.083 -7.941 0.640 1.00 0.00 C ATOM 642 CG LEU A 40 9.648 -6.692 -0.041 1.00 0.00 C ATOM 643 CD1 LEU A 40 8.555 -5.965 -0.809 1.00 0.00 C ATOM 644 CD2 LEU A 40 10.286 -5.768 0.986 1.00 0.00 C ATOM 0 H LEU A 40 9.255 -10.803 1.198 1.00 0.00 H new ATOM 0 HA LEU A 40 8.616 -9.107 -1.106 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.035 -7.762 0.881 1.00 0.00 H new ATOM 0 HB3 LEU A 40 9.607 -8.090 1.584 1.00 0.00 H new ATOM 0 HG LEU A 40 10.417 -7.002 -0.748 1.00 0.00 H new ATOM 0 HD11 LEU A 40 8.974 -5.079 -1.287 1.00 0.00 H new ATOM 0 HD12 LEU A 40 8.143 -6.628 -1.570 1.00 0.00 H new ATOM 0 HD13 LEU A 40 7.764 -5.666 -0.121 1.00 0.00 H new ATOM 0 HD21 LEU A 40 10.682 -4.885 0.484 1.00 0.00 H new ATOM 0 HD22 LEU A 40 9.537 -5.464 1.717 1.00 0.00 H new ATOM 0 HD23 LEU A 40 11.096 -6.292 1.493 1.00 0.00 H new ATOM 656 N THR A 41 10.994 -9.244 -1.797 1.00 0.00 N ATOM 657 CA THR A 41 12.357 -9.464 -2.267 1.00 0.00 C ATOM 658 C THR A 41 12.935 -8.190 -2.875 1.00 0.00 C ATOM 659 O THR A 41 12.299 -7.136 -2.852 1.00 0.00 O ATOM 660 CB THR A 41 12.387 -10.594 -3.297 1.00 0.00 C ATOM 661 OG1 THR A 41 13.711 -10.843 -3.730 1.00 0.00 O ATOM 662 CG2 THR A 41 11.548 -10.308 -4.524 1.00 0.00 C ATOM 0 H THR A 41 10.356 -8.883 -2.506 1.00 0.00 H new ATOM 0 HA THR A 41 12.969 -9.746 -1.411 1.00 0.00 H new ATOM 0 HB THR A 41 11.970 -11.462 -2.786 1.00 0.00 H new ATOM 0 HG1 THR A 41 13.709 -11.570 -4.387 1.00 0.00 H new ATOM 0 HG21 THR A 41 11.614 -11.149 -5.214 1.00 0.00 H new ATOM 0 HG22 THR A 41 10.509 -10.161 -4.228 1.00 0.00 H new ATOM 0 HG23 THR A 41 11.916 -9.407 -5.015 1.00 0.00 H new ATOM 670 N GLN A 42 14.143 -8.294 -3.419 1.00 0.00 N ATOM 671 CA GLN A 42 14.805 -7.150 -4.034 1.00 0.00 C ATOM 672 C GLN A 42 13.980 -6.604 -5.196 1.00 0.00 C ATOM 673 O GLN A 42 13.886 -5.391 -5.387 1.00 0.00 O ATOM 674 CB GLN A 42 16.202 -7.544 -4.521 1.00 0.00 C ATOM 675 CG GLN A 42 17.322 -7.048 -3.622 1.00 0.00 C ATOM 676 CD GLN A 42 17.560 -5.556 -3.756 1.00 0.00 C ATOM 677 OE1 GLN A 42 17.878 -5.062 -4.837 1.00 0.00 O ATOM 678 NE2 GLN A 42 17.404 -4.832 -2.655 1.00 0.00 N ATOM 0 H GLN A 42 14.683 -9.159 -3.446 1.00 0.00 H new ATOM 0 HA GLN A 42 14.899 -6.367 -3.282 1.00 0.00 H new ATOM 0 HB2 GLN A 42 16.259 -8.630 -4.593 1.00 0.00 H new ATOM 0 HB3 GLN A 42 16.352 -7.149 -5.526 1.00 0.00 H new ATOM 0 HG2 GLN A 42 17.081 -7.282 -2.585 1.00 0.00 H new ATOM 0 HG3 GLN A 42 18.241 -7.582 -3.864 1.00 0.00 H new ATOM 0 HE21 GLN A 42 17.139 -5.285 -1.780 1.00 0.00 H new ATOM 0 HE22 GLN A 42 17.549 -3.823 -2.684 1.00 0.00 H new ATOM 687 N ALA A 43 13.385 -7.506 -5.969 1.00 0.00 N ATOM 688 CA ALA A 43 12.569 -7.115 -7.111 1.00 0.00 C ATOM 689 C ALA A 43 11.399 -6.239 -6.675 1.00 0.00 C ATOM 690 O ALA A 43 10.998 -5.321 -7.391 1.00 0.00 O ATOM 691 CB ALA A 43 12.063 -8.348 -7.845 1.00 0.00 C ATOM 0 H ALA A 43 13.453 -8.513 -5.825 1.00 0.00 H new ATOM 0 HA ALA A 43 13.192 -6.532 -7.789 1.00 0.00 H new ATOM 0 HB1 ALA A 43 11.455 -8.041 -8.696 1.00 0.00 H new ATOM 0 HB2 ALA A 43 12.911 -8.935 -8.198 1.00 0.00 H new ATOM 0 HB3 ALA A 43 11.460 -8.953 -7.168 1.00 0.00 H new ATOM 697 N ASP A 44 10.856 -6.529 -5.497 1.00 0.00 N ATOM 698 CA ASP A 44 9.732 -5.768 -4.964 1.00 0.00 C ATOM 699 C ASP A 44 10.218 -4.564 -4.163 1.00 0.00 C ATOM 700 O ASP A 44 9.531 -3.546 -4.077 1.00 0.00 O ATOM 701 CB ASP A 44 8.856 -6.661 -4.084 1.00 0.00 C ATOM 702 CG ASP A 44 8.399 -7.914 -4.804 1.00 0.00 C ATOM 703 OD1 ASP A 44 9.241 -8.563 -5.461 1.00 0.00 O ATOM 704 OD2 ASP A 44 7.198 -8.247 -4.713 1.00 0.00 O ATOM 0 H ASP A 44 11.176 -7.286 -4.893 1.00 0.00 H new ATOM 0 HA ASP A 44 9.141 -5.406 -5.805 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.412 -6.942 -3.189 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.984 -6.097 -3.753 1.00 0.00 H new ATOM 709 N LYS A 45 11.404 -4.689 -3.576 1.00 0.00 N ATOM 710 CA LYS A 45 11.981 -3.611 -2.780 1.00 0.00 C ATOM 711 C LYS A 45 12.131 -2.338 -3.609 1.00 0.00 C ATOM 712 O LYS A 45 11.629 -1.279 -3.232 1.00 0.00 O ATOM 713 CB LYS A 45 13.342 -4.034 -2.224 1.00 0.00 C ATOM 714 CG LYS A 45 13.252 -5.089 -1.133 1.00 0.00 C ATOM 715 CD LYS A 45 13.449 -4.482 0.248 1.00 0.00 C ATOM 716 CE LYS A 45 14.919 -4.235 0.543 1.00 0.00 C ATOM 717 NZ LYS A 45 15.220 -4.348 1.997 1.00 0.00 N ATOM 0 H LYS A 45 11.984 -5.526 -3.636 1.00 0.00 H new ATOM 0 HA LYS A 45 11.304 -3.404 -1.951 1.00 0.00 H new ATOM 0 HB2 LYS A 45 13.955 -4.418 -3.039 1.00 0.00 H new ATOM 0 HB3 LYS A 45 13.852 -3.156 -1.828 1.00 0.00 H new ATOM 0 HG2 LYS A 45 12.280 -5.581 -1.180 1.00 0.00 H new ATOM 0 HG3 LYS A 45 14.006 -5.857 -1.305 1.00 0.00 H new ATOM 0 HD2 LYS A 45 12.900 -3.543 0.315 1.00 0.00 H new ATOM 0 HD3 LYS A 45 13.032 -5.149 1.003 1.00 0.00 H new ATOM 0 HE2 LYS A 45 15.526 -4.952 -0.010 1.00 0.00 H new ATOM 0 HE3 LYS A 45 15.198 -3.242 0.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 16.233 -4.173 2.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 14.660 -3.647 2.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 14.978 -5.304 2.328 1.00 0.00 H new ATOM 731 N ASP A 46 12.825 -2.450 -4.736 1.00 0.00 N ATOM 732 CA ASP A 46 13.040 -1.308 -5.617 1.00 0.00 C ATOM 733 C ASP A 46 11.712 -0.742 -6.112 1.00 0.00 C ATOM 734 O ASP A 46 11.590 0.458 -6.356 1.00 0.00 O ATOM 735 CB ASP A 46 13.914 -1.712 -6.806 1.00 0.00 C ATOM 736 CG ASP A 46 15.354 -1.263 -6.644 1.00 0.00 C ATOM 737 OD1 ASP A 46 15.946 -1.543 -5.580 1.00 0.00 O ATOM 738 OD2 ASP A 46 15.889 -0.634 -7.581 1.00 0.00 O ATOM 0 H ASP A 46 13.248 -3.319 -5.061 1.00 0.00 H new ATOM 0 HA ASP A 46 13.552 -0.533 -5.047 1.00 0.00 H new ATOM 0 HB2 ASP A 46 13.885 -2.795 -6.923 1.00 0.00 H new ATOM 0 HB3 ASP A 46 13.502 -1.281 -7.719 1.00 0.00 H new ATOM 743 N ALA A 47 10.721 -1.615 -6.258 1.00 0.00 N ATOM 744 CA ALA A 47 9.402 -1.202 -6.723 1.00 0.00 C ATOM 745 C ALA A 47 8.647 -0.449 -5.634 1.00 0.00 C ATOM 746 O ALA A 47 7.848 0.442 -5.920 1.00 0.00 O ATOM 747 CB ALA A 47 8.602 -2.412 -7.182 1.00 0.00 C ATOM 0 H ALA A 47 10.806 -2.612 -6.061 1.00 0.00 H new ATOM 0 HA ALA A 47 9.537 -0.527 -7.568 1.00 0.00 H new ATOM 0 HB1 ALA A 47 7.620 -2.089 -7.526 1.00 0.00 H new ATOM 0 HB2 ALA A 47 9.128 -2.908 -7.998 1.00 0.00 H new ATOM 0 HB3 ALA A 47 8.485 -3.107 -6.351 1.00 0.00 H new ATOM 753 N LEU A 48 8.906 -0.813 -4.382 1.00 0.00 N ATOM 754 CA LEU A 48 8.252 -0.173 -3.247 1.00 0.00 C ATOM 755 C LEU A 48 8.548 1.323 -3.220 1.00 0.00 C ATOM 756 O LEU A 48 7.639 2.145 -3.098 1.00 0.00 O ATOM 757 CB LEU A 48 8.710 -0.819 -1.939 1.00 0.00 C ATOM 758 CG LEU A 48 8.017 -0.296 -0.679 1.00 0.00 C ATOM 759 CD1 LEU A 48 6.542 -0.667 -0.686 1.00 0.00 C ATOM 760 CD2 LEU A 48 8.700 -0.842 0.566 1.00 0.00 C ATOM 0 H LEU A 48 9.565 -1.549 -4.128 1.00 0.00 H new ATOM 0 HA LEU A 48 7.176 -0.309 -3.355 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.545 -1.894 -2.006 1.00 0.00 H new ATOM 0 HB3 LEU A 48 9.784 -0.667 -1.834 1.00 0.00 H new ATOM 0 HG LEU A 48 8.095 0.791 -0.668 1.00 0.00 H new ATOM 0 HD11 LEU A 48 6.067 -0.286 0.218 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.061 -0.229 -1.561 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.440 -1.752 -0.720 1.00 0.00 H new ATOM 0 HD21 LEU A 48 8.196 -0.461 1.454 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.651 -1.931 0.560 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.743 -0.526 0.577 1.00 0.00 H new ATOM 772 N ASP A 49 9.826 1.670 -3.334 1.00 0.00 N ATOM 773 CA ASP A 49 10.244 3.067 -3.323 1.00 0.00 C ATOM 774 C ASP A 49 9.613 3.835 -4.480 1.00 0.00 C ATOM 775 O ASP A 49 9.117 4.947 -4.302 1.00 0.00 O ATOM 776 CB ASP A 49 11.768 3.165 -3.400 1.00 0.00 C ATOM 777 CG ASP A 49 12.314 4.336 -2.606 1.00 0.00 C ATOM 778 OD1 ASP A 49 11.568 5.319 -2.410 1.00 0.00 O ATOM 779 OD2 ASP A 49 13.485 4.269 -2.179 1.00 0.00 O ATOM 0 H ASP A 49 10.590 1.002 -3.435 1.00 0.00 H new ATOM 0 HA ASP A 49 9.905 3.514 -2.388 1.00 0.00 H new ATOM 0 HB2 ASP A 49 12.208 2.240 -3.027 1.00 0.00 H new ATOM 0 HB3 ASP A 49 12.071 3.264 -4.442 1.00 0.00 H new ATOM 784 N GLY A 50 9.639 3.235 -5.666 1.00 0.00 N ATOM 785 CA GLY A 50 9.069 3.878 -6.835 1.00 0.00 C ATOM 786 C GLY A 50 7.555 3.945 -6.782 1.00 0.00 C ATOM 787 O GLY A 50 6.951 4.895 -7.278 1.00 0.00 O ATOM 0 H GLY A 50 10.045 2.315 -5.838 1.00 0.00 H new ATOM 0 HA2 GLY A 50 9.471 4.887 -6.923 1.00 0.00 H new ATOM 0 HA3 GLY A 50 9.374 3.335 -7.729 1.00 0.00 H new ATOM 791 N LEU A 51 6.941 2.932 -6.179 1.00 0.00 N ATOM 792 CA LEU A 51 5.488 2.878 -6.064 1.00 0.00 C ATOM 793 C LEU A 51 4.984 3.892 -5.043 1.00 0.00 C ATOM 794 O LEU A 51 4.049 4.647 -5.311 1.00 0.00 O ATOM 795 CB LEU A 51 5.039 1.472 -5.667 1.00 0.00 C ATOM 796 CG LEU A 51 3.570 1.156 -5.955 1.00 0.00 C ATOM 797 CD1 LEU A 51 3.421 0.520 -7.328 1.00 0.00 C ATOM 798 CD2 LEU A 51 3.000 0.243 -4.879 1.00 0.00 C ATOM 0 H LEU A 51 7.427 2.138 -5.763 1.00 0.00 H new ATOM 0 HA LEU A 51 5.063 3.127 -7.036 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.661 0.747 -6.192 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.222 1.336 -4.601 1.00 0.00 H new ATOM 0 HG LEU A 51 3.009 2.090 -5.946 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.370 0.302 -7.516 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.791 1.207 -8.089 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.996 -0.406 -7.365 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.954 0.029 -5.100 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.564 -0.689 -4.856 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.072 0.735 -3.909 1.00 0.00 H new ATOM 810 N LEU A 52 5.609 3.903 -3.869 1.00 0.00 N ATOM 811 CA LEU A 52 5.225 4.822 -2.802 1.00 0.00 C ATOM 812 C LEU A 52 5.216 6.266 -3.296 1.00 0.00 C ATOM 813 O LEU A 52 4.270 7.012 -3.047 1.00 0.00 O ATOM 814 CB LEU A 52 6.179 4.684 -1.614 1.00 0.00 C ATOM 815 CG LEU A 52 5.910 3.486 -0.703 1.00 0.00 C ATOM 816 CD1 LEU A 52 7.147 3.150 0.114 1.00 0.00 C ATOM 817 CD2 LEU A 52 4.726 3.766 0.210 1.00 0.00 C ATOM 0 H LEU A 52 6.385 3.285 -3.632 1.00 0.00 H new ATOM 0 HA LEU A 52 4.215 4.563 -2.483 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.198 4.611 -1.993 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.125 5.594 -1.017 1.00 0.00 H new ATOM 0 HG LEU A 52 5.667 2.626 -1.327 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.937 2.295 0.757 1.00 0.00 H new ATOM 0 HD12 LEU A 52 7.971 2.906 -0.557 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.421 4.007 0.729 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.549 2.903 0.851 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.941 4.638 0.827 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.839 3.958 -0.393 1.00 0.00 H new ATOM 829 N GLN A 53 6.276 6.653 -4.000 1.00 0.00 N ATOM 830 CA GLN A 53 6.388 8.007 -4.528 1.00 0.00 C ATOM 831 C GLN A 53 5.228 8.328 -5.467 1.00 0.00 C ATOM 832 O GLN A 53 4.872 9.492 -5.652 1.00 0.00 O ATOM 833 CB GLN A 53 7.717 8.181 -5.265 1.00 0.00 C ATOM 834 CG GLN A 53 8.925 8.213 -4.341 1.00 0.00 C ATOM 835 CD GLN A 53 9.605 9.568 -4.314 1.00 0.00 C ATOM 836 OE1 GLN A 53 8.958 10.597 -4.112 1.00 0.00 O ATOM 837 NE2 GLN A 53 10.916 9.576 -4.519 1.00 0.00 N ATOM 0 H GLN A 53 7.068 6.048 -4.217 1.00 0.00 H new ATOM 0 HA GLN A 53 6.351 8.699 -3.687 1.00 0.00 H new ATOM 0 HB2 GLN A 53 7.837 7.366 -5.978 1.00 0.00 H new ATOM 0 HB3 GLN A 53 7.685 9.106 -5.841 1.00 0.00 H new ATOM 0 HG2 GLN A 53 8.612 7.948 -3.331 1.00 0.00 H new ATOM 0 HG3 GLN A 53 9.642 7.457 -4.661 1.00 0.00 H new ATOM 0 HE21 GLN A 53 11.412 8.700 -4.682 1.00 0.00 H new ATOM 0 HE22 GLN A 53 11.428 10.458 -4.513 1.00 0.00 H new ATOM 846 N GLN A 54 4.643 7.290 -6.057 1.00 0.00 N ATOM 847 CA GLN A 54 3.526 7.465 -6.978 1.00 0.00 C ATOM 848 C GLN A 54 2.191 7.379 -6.243 1.00 0.00 C ATOM 849 O GLN A 54 1.370 8.294 -6.318 1.00 0.00 O ATOM 850 CB GLN A 54 3.584 6.413 -8.088 1.00 0.00 C ATOM 851 CG GLN A 54 3.623 7.006 -9.486 1.00 0.00 C ATOM 852 CD GLN A 54 2.584 6.399 -10.409 1.00 0.00 C ATOM 853 OE1 GLN A 54 1.494 6.945 -10.581 1.00 0.00 O ATOM 854 NE2 GLN A 54 2.918 5.262 -11.009 1.00 0.00 N ATOM 0 H GLN A 54 4.924 6.320 -5.914 1.00 0.00 H new ATOM 0 HA GLN A 54 3.607 8.457 -7.423 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.467 5.791 -7.942 1.00 0.00 H new ATOM 0 HB3 GLN A 54 2.716 5.760 -8.004 1.00 0.00 H new ATOM 0 HG2 GLN A 54 3.463 8.082 -9.424 1.00 0.00 H new ATOM 0 HG3 GLN A 54 4.615 6.855 -9.913 1.00 0.00 H new ATOM 0 HE21 GLN A 54 3.833 4.844 -10.837 1.00 0.00 H new ATOM 0 HE22 GLN A 54 2.260 4.807 -11.641 1.00 0.00 H new ATOM 863 N VAL A 55 1.978 6.273 -5.536 1.00 0.00 N ATOM 864 CA VAL A 55 0.740 6.070 -4.792 1.00 0.00 C ATOM 865 C VAL A 55 0.905 6.450 -3.324 1.00 0.00 C ATOM 866 O VAL A 55 0.323 5.822 -2.439 1.00 0.00 O ATOM 867 CB VAL A 55 0.264 4.606 -4.883 1.00 0.00 C ATOM 868 CG1 VAL A 55 -0.025 4.227 -6.328 1.00 0.00 C ATOM 869 CG2 VAL A 55 1.293 3.666 -4.272 1.00 0.00 C ATOM 0 H VAL A 55 2.645 5.505 -5.463 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.009 6.718 -5.246 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.661 4.510 -4.314 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.360 3.191 -6.372 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.804 4.877 -6.726 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.881 4.341 -6.922 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.937 2.639 -4.347 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.237 3.763 -4.808 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.443 3.923 -3.223 1.00 0.00 H new ATOM 879 N ALA A 56 1.702 7.484 -3.070 1.00 0.00 N ATOM 880 CA ALA A 56 1.941 7.947 -1.708 1.00 0.00 C ATOM 881 C ALA A 56 2.807 9.204 -1.700 1.00 0.00 C ATOM 882 O ALA A 56 3.528 9.480 -2.659 1.00 0.00 O ATOM 883 CB ALA A 56 2.594 6.846 -0.884 1.00 0.00 C ATOM 0 H ALA A 56 2.192 8.016 -3.789 1.00 0.00 H new ATOM 0 HA ALA A 56 0.979 8.198 -1.260 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.767 7.205 0.131 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.938 5.976 -0.854 1.00 0.00 H new ATOM 0 HB3 ALA A 56 3.545 6.568 -1.337 1.00 0.00 H new ATOM 889 N ASN A 57 2.729 9.962 -0.610 1.00 0.00 N ATOM 890 CA ASN A 57 3.503 11.190 -0.475 1.00 0.00 C ATOM 891 C ASN A 57 4.424 11.119 0.740 1.00 0.00 C ATOM 892 O ASN A 57 4.039 10.613 1.794 1.00 0.00 O ATOM 893 CB ASN A 57 2.571 12.396 -0.352 1.00 0.00 C ATOM 894 CG ASN A 57 2.245 13.013 -1.698 1.00 0.00 C ATOM 895 OD1 ASN A 57 3.074 13.701 -2.295 1.00 0.00 O ATOM 896 ND2 ASN A 57 1.032 12.771 -2.183 1.00 0.00 N ATOM 0 H ASN A 57 2.137 9.747 0.192 1.00 0.00 H new ATOM 0 HA ASN A 57 4.116 11.304 -1.369 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.647 12.089 0.138 1.00 0.00 H new ATOM 0 HB3 ASN A 57 3.036 13.147 0.286 1.00 0.00 H new ATOM 0 HD21 ASN A 57 0.756 13.161 -3.084 1.00 0.00 H new ATOM 0 HD22 ASN A 57 0.377 12.195 -1.654 1.00 0.00 H new ATOM 903 N MET A 58 5.641 11.630 0.583 1.00 0.00 N ATOM 904 CA MET A 58 6.616 11.625 1.668 1.00 0.00 C ATOM 905 C MET A 58 6.400 12.814 2.599 1.00 0.00 C ATOM 906 O MET A 58 6.065 13.912 2.153 1.00 0.00 O ATOM 907 CB MET A 58 8.038 11.654 1.105 1.00 0.00 C ATOM 908 CG MET A 58 9.047 10.908 1.963 1.00 0.00 C ATOM 909 SD MET A 58 10.232 9.966 0.982 1.00 0.00 S ATOM 910 CE MET A 58 9.758 8.290 1.394 1.00 0.00 C ATOM 0 H MET A 58 5.975 12.052 -0.283 1.00 0.00 H new ATOM 0 HA MET A 58 6.479 10.708 2.241 1.00 0.00 H new ATOM 0 HB2 MET A 58 8.033 11.220 0.105 1.00 0.00 H new ATOM 0 HB3 MET A 58 8.358 12.691 1.001 1.00 0.00 H new ATOM 0 HG2 MET A 58 9.584 11.621 2.588 1.00 0.00 H new ATOM 0 HG3 MET A 58 8.518 10.232 2.634 1.00 0.00 H new ATOM 0 HE1 MET A 58 10.589 7.615 1.186 1.00 0.00 H new ATOM 0 HE2 MET A 58 9.501 8.234 2.452 1.00 0.00 H new ATOM 0 HE3 MET A 58 8.895 7.998 0.795 1.00 0.00 H new ATOM 920 N SER A 59 6.596 12.589 3.894 1.00 0.00 N ATOM 921 CA SER A 59 6.423 13.641 4.888 1.00 0.00 C ATOM 922 C SER A 59 7.594 14.617 4.858 1.00 0.00 C ATOM 923 O SER A 59 8.602 14.373 4.195 1.00 0.00 O ATOM 924 CB SER A 59 6.286 13.033 6.285 1.00 0.00 C ATOM 925 OG SER A 59 5.365 13.767 7.073 1.00 0.00 O ATOM 0 H SER A 59 6.875 11.687 4.279 1.00 0.00 H new ATOM 0 HA SER A 59 5.512 14.188 4.646 1.00 0.00 H new ATOM 0 HB2 SER A 59 5.955 11.998 6.203 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.259 13.019 6.776 1.00 0.00 H new ATOM 0 HG SER A 59 5.294 13.357 7.960 1.00 0.00 H new ATOM 931 N ALA A 60 7.454 15.723 5.582 1.00 0.00 N ATOM 932 CA ALA A 60 8.501 16.737 5.639 1.00 0.00 C ATOM 933 C ALA A 60 9.046 16.882 7.056 1.00 0.00 C ATOM 934 O ALA A 60 9.448 17.970 7.468 1.00 0.00 O ATOM 935 CB ALA A 60 7.970 18.070 5.136 1.00 0.00 C ATOM 0 H ALA A 60 6.626 15.940 6.137 1.00 0.00 H new ATOM 0 HA ALA A 60 9.320 16.418 4.994 1.00 0.00 H new ATOM 0 HB1 ALA A 60 8.761 18.818 5.184 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.634 17.962 4.105 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.133 18.387 5.759 1.00 0.00 H new ATOM 941 N LYS A 61 9.057 15.779 7.796 1.00 0.00 N ATOM 942 CA LYS A 61 9.554 15.782 9.166 1.00 0.00 C ATOM 943 C LYS A 61 10.469 14.587 9.416 1.00 0.00 C ATOM 944 O LYS A 61 11.567 14.735 9.952 1.00 0.00 O ATOM 945 CB LYS A 61 8.386 15.760 10.154 1.00 0.00 C ATOM 946 CG LYS A 61 7.289 16.758 9.824 1.00 0.00 C ATOM 947 CD LYS A 61 6.498 17.147 11.062 1.00 0.00 C ATOM 948 CE LYS A 61 5.670 18.400 10.823 1.00 0.00 C ATOM 949 NZ LYS A 61 4.350 18.333 11.507 1.00 0.00 N ATOM 0 H LYS A 61 8.727 14.871 7.469 1.00 0.00 H new ATOM 0 HA LYS A 61 10.130 16.695 9.315 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.959 14.758 10.176 1.00 0.00 H new ATOM 0 HB3 LYS A 61 8.764 15.967 11.155 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.729 17.650 9.377 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.616 16.329 9.081 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.842 16.325 11.349 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.182 17.315 11.894 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.219 19.271 11.179 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.517 18.535 9.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.817 19.206 11.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.815 17.516 11.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.495 18.230 12.532 1.00 0.00 H new ATOM 963 N ASP A 62 10.008 13.403 9.024 1.00 0.00 N ATOM 964 CA ASP A 62 10.785 12.182 9.206 1.00 0.00 C ATOM 965 C ASP A 62 10.918 11.422 7.890 1.00 0.00 C ATOM 966 O ASP A 62 12.024 11.213 7.391 1.00 0.00 O ATOM 967 CB ASP A 62 10.131 11.288 10.261 1.00 0.00 C ATOM 968 CG ASP A 62 11.151 10.571 11.123 1.00 0.00 C ATOM 969 OD1 ASP A 62 12.185 10.132 10.577 1.00 0.00 O ATOM 970 OD2 ASP A 62 10.915 10.448 12.344 1.00 0.00 O ATOM 0 H ASP A 62 9.101 13.263 8.579 1.00 0.00 H new ATOM 0 HA ASP A 62 11.782 12.462 9.546 1.00 0.00 H new ATOM 0 HB2 ASP A 62 9.484 11.893 10.896 1.00 0.00 H new ATOM 0 HB3 ASP A 62 9.496 10.553 9.767 1.00 0.00 H new ATOM 975 N GLY A 63 9.784 11.010 7.333 1.00 0.00 N ATOM 976 CA GLY A 63 9.795 10.277 6.080 1.00 0.00 C ATOM 977 C GLY A 63 8.663 9.274 5.985 1.00 0.00 C ATOM 978 O GLY A 63 8.872 8.130 5.581 1.00 0.00 O ATOM 0 H GLY A 63 8.857 11.171 7.727 1.00 0.00 H new ATOM 0 HA2 GLY A 63 9.723 10.981 5.251 1.00 0.00 H new ATOM 0 HA3 GLY A 63 10.747 9.757 5.975 1.00 0.00 H new ATOM 982 N THR A 64 7.462 9.703 6.357 1.00 0.00 N ATOM 983 CA THR A 64 6.292 8.835 6.313 1.00 0.00 C ATOM 984 C THR A 64 5.604 8.915 4.955 1.00 0.00 C ATOM 985 O THR A 64 5.552 9.978 4.335 1.00 0.00 O ATOM 986 CB THR A 64 5.307 9.216 7.420 1.00 0.00 C ATOM 987 OG1 THR A 64 5.991 9.756 8.536 1.00 0.00 O ATOM 988 CG2 THR A 64 4.478 8.049 7.911 1.00 0.00 C ATOM 0 H THR A 64 7.273 10.648 6.693 1.00 0.00 H new ATOM 0 HA THR A 64 6.626 7.809 6.470 1.00 0.00 H new ATOM 0 HB THR A 64 4.640 9.952 6.972 1.00 0.00 H new ATOM 0 HG1 THR A 64 5.344 9.995 9.232 1.00 0.00 H new ATOM 0 HG21 THR A 64 3.801 8.388 8.695 1.00 0.00 H new ATOM 0 HG22 THR A 64 3.899 7.640 7.083 1.00 0.00 H new ATOM 0 HG23 THR A 64 5.136 7.277 8.309 1.00 0.00 H new ATOM 996 N CYS A 65 5.078 7.784 4.495 1.00 0.00 N ATOM 997 CA CYS A 65 4.393 7.726 3.209 1.00 0.00 C ATOM 998 C CYS A 65 2.881 7.666 3.399 1.00 0.00 C ATOM 999 O CYS A 65 2.344 6.664 3.871 1.00 0.00 O ATOM 1000 CB CYS A 65 4.865 6.510 2.410 1.00 0.00 C ATOM 1001 SG CYS A 65 6.288 6.835 1.343 1.00 0.00 S ATOM 0 H CYS A 65 5.113 6.895 4.994 1.00 0.00 H new ATOM 0 HA CYS A 65 4.636 8.633 2.656 1.00 0.00 H new ATOM 0 HB2 CYS A 65 5.120 5.709 3.104 1.00 0.00 H new ATOM 0 HB3 CYS A 65 4.039 6.149 1.797 1.00 0.00 H new ATOM 0 HG CYS A 65 7.276 6.066 1.691 1.00 0.00 H new ATOM 1007 N THR A 66 2.199 8.745 3.029 1.00 0.00 N ATOM 1008 CA THR A 66 0.749 8.815 3.158 1.00 0.00 C ATOM 1009 C THR A 66 0.072 8.606 1.807 1.00 0.00 C ATOM 1010 O THR A 66 0.577 9.044 0.774 1.00 0.00 O ATOM 1011 CB THR A 66 0.332 10.165 3.746 1.00 0.00 C ATOM 1012 OG1 THR A 66 0.847 11.231 2.969 1.00 0.00 O ATOM 1013 CG2 THR A 66 0.801 10.367 5.171 1.00 0.00 C ATOM 0 H THR A 66 2.628 9.583 2.637 1.00 0.00 H new ATOM 0 HA THR A 66 0.431 8.019 3.831 1.00 0.00 H new ATOM 0 HB THR A 66 -0.758 10.160 3.736 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.568 12.085 3.360 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.472 11.343 5.527 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.380 9.588 5.807 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.889 10.315 5.207 1.00 0.00 H new ATOM 1021 N LEU A 67 -1.075 7.934 1.823 1.00 0.00 N ATOM 1022 CA LEU A 67 -1.821 7.667 0.599 1.00 0.00 C ATOM 1023 C LEU A 67 -2.486 8.937 0.079 1.00 0.00 C ATOM 1024 O LEU A 67 -2.829 9.831 0.853 1.00 0.00 O ATOM 1025 CB LEU A 67 -2.877 6.588 0.845 1.00 0.00 C ATOM 1026 CG LEU A 67 -3.514 6.008 -0.420 1.00 0.00 C ATOM 1027 CD1 LEU A 67 -2.679 4.856 -0.960 1.00 0.00 C ATOM 1028 CD2 LEU A 67 -4.938 5.551 -0.135 1.00 0.00 C ATOM 0 H LEU A 67 -1.508 7.565 2.670 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.118 7.312 -0.155 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.420 5.775 1.409 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.665 7.007 1.471 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.548 6.789 -1.179 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.148 4.457 -1.859 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.678 5.214 -1.201 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.612 4.071 -0.207 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.377 5.141 -1.044 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.926 4.784 0.640 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.532 6.400 0.204 1.00 0.00 H new ATOM 1040 N GLN A 68 -2.665 9.009 -1.236 1.00 0.00 N ATOM 1041 CA GLN A 68 -3.290 10.169 -1.859 1.00 0.00 C ATOM 1042 C GLN A 68 -4.796 10.173 -1.617 1.00 0.00 C ATOM 1043 O GLN A 68 -5.378 9.152 -1.251 1.00 0.00 O ATOM 1044 CB GLN A 68 -3.002 10.185 -3.361 1.00 0.00 C ATOM 1045 CG GLN A 68 -1.554 9.878 -3.707 1.00 0.00 C ATOM 1046 CD GLN A 68 -1.029 10.741 -4.837 1.00 0.00 C ATOM 1047 OE1 GLN A 68 -1.752 11.571 -5.387 1.00 0.00 O ATOM 1048 NE2 GLN A 68 0.237 10.547 -5.191 1.00 0.00 N ATOM 0 H GLN A 68 -2.386 8.278 -1.890 1.00 0.00 H new ATOM 0 HA GLN A 68 -2.866 11.065 -1.406 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -3.647 9.457 -3.854 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -3.263 11.164 -3.762 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -0.934 10.027 -2.823 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -1.466 8.828 -3.986 1.00 0.00 H new ATOM 0 HE21 GLN A 68 0.800 9.848 -4.707 1.00 0.00 H new ATOM 0 HE22 GLN A 68 0.645 11.097 -5.946 1.00 0.00 H new ATOM 1057 N ASP A 69 -5.421 11.327 -1.823 1.00 0.00 N ATOM 1058 CA ASP A 69 -6.859 11.465 -1.626 1.00 0.00 C ATOM 1059 C ASP A 69 -7.631 10.801 -2.763 1.00 0.00 C ATOM 1060 O ASP A 69 -8.742 10.307 -2.567 1.00 0.00 O ATOM 1061 CB ASP A 69 -7.243 12.942 -1.528 1.00 0.00 C ATOM 1062 CG ASP A 69 -8.493 13.161 -0.699 1.00 0.00 C ATOM 1063 OD1 ASP A 69 -8.724 12.376 0.245 1.00 0.00 O ATOM 1064 OD2 ASP A 69 -9.239 14.118 -0.991 1.00 0.00 O ATOM 0 H ASP A 69 -4.954 12.181 -2.127 1.00 0.00 H new ATOM 0 HA ASP A 69 -7.121 10.966 -0.693 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -6.417 13.501 -1.089 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -7.401 13.341 -2.530 1.00 0.00 H new ATOM 1069 N CYS A 70 -7.036 10.793 -3.951 1.00 0.00 N ATOM 1070 CA CYS A 70 -7.669 10.191 -5.119 1.00 0.00 C ATOM 1071 C CYS A 70 -7.393 8.692 -5.178 1.00 0.00 C ATOM 1072 O CYS A 70 -8.214 7.919 -5.670 1.00 0.00 O ATOM 1073 CB CYS A 70 -7.170 10.864 -6.400 1.00 0.00 C ATOM 1074 SG CYS A 70 -8.443 11.076 -7.667 1.00 0.00 S ATOM 0 H CYS A 70 -6.117 11.196 -4.131 1.00 0.00 H new ATOM 0 HA CYS A 70 -8.745 10.340 -5.033 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -6.758 11.841 -6.147 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -6.355 10.272 -6.815 1.00 0.00 H new ATOM 0 HG CYS A 70 -7.925 11.655 -8.710 1.00 0.00 H new ATOM 1080 N MET A 71 -6.231 8.289 -4.674 1.00 0.00 N ATOM 1081 CA MET A 71 -5.846 6.882 -4.670 1.00 0.00 C ATOM 1082 C MET A 71 -6.719 6.077 -3.711 1.00 0.00 C ATOM 1083 O MET A 71 -6.902 4.872 -3.887 1.00 0.00 O ATOM 1084 CB MET A 71 -4.374 6.735 -4.283 1.00 0.00 C ATOM 1085 CG MET A 71 -3.411 7.242 -5.345 1.00 0.00 C ATOM 1086 SD MET A 71 -3.631 6.419 -6.933 1.00 0.00 S ATOM 1087 CE MET A 71 -3.144 4.745 -6.518 1.00 0.00 C ATOM 0 H MET A 71 -5.540 8.917 -4.263 1.00 0.00 H new ATOM 0 HA MET A 71 -5.991 6.491 -5.677 1.00 0.00 H new ATOM 0 HB2 MET A 71 -4.195 7.277 -3.354 1.00 0.00 H new ATOM 0 HB3 MET A 71 -4.162 5.684 -4.085 1.00 0.00 H new ATOM 0 HG2 MET A 71 -3.551 8.315 -5.474 1.00 0.00 H new ATOM 0 HG3 MET A 71 -2.387 7.093 -5.002 1.00 0.00 H new ATOM 0 HE1 MET A 71 -2.605 4.304 -7.357 1.00 0.00 H new ATOM 0 HE2 MET A 71 -2.498 4.761 -5.640 1.00 0.00 H new ATOM 0 HE3 MET A 71 -4.032 4.150 -6.305 1.00 0.00 H new ATOM 1097 N TYR A 72 -7.258 6.748 -2.698 1.00 0.00 N ATOM 1098 CA TYR A 72 -8.112 6.092 -1.712 1.00 0.00 C ATOM 1099 C TYR A 72 -9.286 5.389 -2.388 1.00 0.00 C ATOM 1100 O TYR A 72 -9.779 4.372 -1.897 1.00 0.00 O ATOM 1101 CB TYR A 72 -8.631 7.111 -0.695 1.00 0.00 C ATOM 1102 CG TYR A 72 -7.793 7.198 0.559 1.00 0.00 C ATOM 1103 CD1 TYR A 72 -7.723 6.131 1.446 1.00 0.00 C ATOM 1104 CD2 TYR A 72 -7.071 8.347 0.858 1.00 0.00 C ATOM 1105 CE1 TYR A 72 -6.959 6.207 2.595 1.00 0.00 C ATOM 1106 CE2 TYR A 72 -6.304 8.431 2.004 1.00 0.00 C ATOM 1107 CZ TYR A 72 -6.251 7.358 2.869 1.00 0.00 C ATOM 1108 OH TYR A 72 -5.489 7.438 4.012 1.00 0.00 O ATOM 0 H TYR A 72 -7.119 7.746 -2.538 1.00 0.00 H new ATOM 0 HA TYR A 72 -7.513 5.343 -1.193 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -8.669 8.094 -1.165 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -9.653 6.849 -0.421 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -8.275 5.227 1.234 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -7.110 9.189 0.183 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -6.917 5.369 3.275 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.749 9.332 2.221 1.00 0.00 H new ATOM 0 HH TYR A 72 -5.540 6.589 4.499 1.00 0.00 H new ATOM 1118 N LYS A 73 -9.729 5.935 -3.516 1.00 0.00 N ATOM 1119 CA LYS A 73 -10.844 5.359 -4.259 1.00 0.00 C ATOM 1120 C LYS A 73 -10.479 3.984 -4.809 1.00 0.00 C ATOM 1121 O LYS A 73 -11.339 3.115 -4.953 1.00 0.00 O ATOM 1122 CB LYS A 73 -11.254 6.287 -5.404 1.00 0.00 C ATOM 1123 CG LYS A 73 -11.461 7.730 -4.972 1.00 0.00 C ATOM 1124 CD LYS A 73 -12.938 8.085 -4.890 1.00 0.00 C ATOM 1125 CE LYS A 73 -13.347 9.038 -6.002 1.00 0.00 C ATOM 1126 NZ LYS A 73 -13.987 8.322 -7.139 1.00 0.00 N ATOM 0 H LYS A 73 -9.333 6.776 -3.936 1.00 0.00 H new ATOM 0 HA LYS A 73 -11.684 5.245 -3.574 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -10.488 6.255 -6.179 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -12.176 5.914 -5.851 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.994 7.890 -4.000 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.965 8.396 -5.678 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -13.535 7.175 -4.952 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -13.150 8.541 -3.923 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -14.038 9.782 -5.606 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -12.469 9.576 -6.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -14.251 9.007 -7.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -13.319 7.629 -7.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -14.839 7.829 -6.803 1.00 0.00 H new ATOM 1140 N ASP A 74 -9.199 3.793 -5.115 1.00 0.00 N ATOM 1141 CA ASP A 74 -8.722 2.523 -5.649 1.00 0.00 C ATOM 1142 C ASP A 74 -8.755 1.436 -4.580 1.00 0.00 C ATOM 1143 O ASP A 74 -8.947 0.258 -4.884 1.00 0.00 O ATOM 1144 CB ASP A 74 -7.301 2.676 -6.194 1.00 0.00 C ATOM 1145 CG ASP A 74 -7.246 3.558 -7.426 1.00 0.00 C ATOM 1146 OD1 ASP A 74 -7.556 3.057 -8.527 1.00 0.00 O ATOM 1147 OD2 ASP A 74 -6.892 4.748 -7.290 1.00 0.00 O ATOM 0 H ASP A 74 -8.474 4.502 -5.002 1.00 0.00 H new ATOM 0 HA ASP A 74 -9.385 2.228 -6.462 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.661 3.099 -5.419 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -6.900 1.692 -6.437 1.00 0.00 H new ATOM 1152 N VAL A 75 -8.568 1.838 -3.327 1.00 0.00 N ATOM 1153 CA VAL A 75 -8.577 0.897 -2.213 1.00 0.00 C ATOM 1154 C VAL A 75 -9.912 0.166 -2.124 1.00 0.00 C ATOM 1155 O VAL A 75 -10.953 0.780 -1.888 1.00 0.00 O ATOM 1156 CB VAL A 75 -8.302 1.609 -0.874 1.00 0.00 C ATOM 1157 CG1 VAL A 75 -8.164 0.596 0.253 1.00 0.00 C ATOM 1158 CG2 VAL A 75 -7.056 2.478 -0.975 1.00 0.00 C ATOM 0 H VAL A 75 -8.408 2.809 -3.058 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.782 0.175 -2.401 1.00 0.00 H new ATOM 0 HB VAL A 75 -9.150 2.255 -0.648 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -7.970 1.118 1.190 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -9.087 0.022 0.341 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.336 -0.079 0.036 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -6.879 2.972 -0.020 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.197 1.855 -1.226 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -7.199 3.230 -1.751 1.00 0.00 H new ATOM 1168 N GLN A 76 -9.875 -1.149 -2.312 1.00 0.00 N ATOM 1169 CA GLN A 76 -11.082 -1.965 -2.252 1.00 0.00 C ATOM 1170 C GLN A 76 -11.489 -2.229 -0.806 1.00 0.00 C ATOM 1171 O GLN A 76 -10.661 -2.170 0.103 1.00 0.00 O ATOM 1172 CB GLN A 76 -10.863 -3.291 -2.980 1.00 0.00 C ATOM 1173 CG GLN A 76 -10.436 -3.126 -4.430 1.00 0.00 C ATOM 1174 CD GLN A 76 -9.125 -3.823 -4.738 1.00 0.00 C ATOM 1175 OE1 GLN A 76 -8.815 -4.868 -4.164 1.00 0.00 O ATOM 1176 NE2 GLN A 76 -8.348 -3.248 -5.646 1.00 0.00 N ATOM 0 H GLN A 76 -9.022 -1.673 -2.507 1.00 0.00 H new ATOM 0 HA GLN A 76 -11.885 -1.416 -2.743 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -10.104 -3.866 -2.450 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -11.785 -3.872 -2.945 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -11.215 -3.523 -5.081 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -10.340 -2.064 -4.658 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -8.645 -2.382 -6.097 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -7.454 -3.671 -5.894 1.00 0.00 H new ATOM 1185 N LYS A 77 -12.770 -2.520 -0.601 1.00 0.00 N ATOM 1186 CA LYS A 77 -13.286 -2.795 0.734 1.00 0.00 C ATOM 1187 C LYS A 77 -13.450 -4.296 0.955 1.00 0.00 C ATOM 1188 O LYS A 77 -14.317 -4.731 1.712 1.00 0.00 O ATOM 1189 CB LYS A 77 -14.627 -2.089 0.941 1.00 0.00 C ATOM 1190 CG LYS A 77 -14.504 -0.582 1.096 1.00 0.00 C ATOM 1191 CD LYS A 77 -15.845 0.109 0.912 1.00 0.00 C ATOM 1192 CE LYS A 77 -16.820 -0.267 2.016 1.00 0.00 C ATOM 1193 NZ LYS A 77 -17.625 -1.470 1.663 1.00 0.00 N ATOM 0 H LYS A 77 -13.469 -2.571 -1.342 1.00 0.00 H new ATOM 0 HA LYS A 77 -12.567 -2.415 1.460 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -15.277 -2.307 0.094 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -15.111 -2.499 1.828 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -14.106 -0.348 2.083 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -13.792 -0.197 0.366 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -15.701 1.189 0.904 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -16.266 -0.163 -0.056 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -16.269 -0.457 2.937 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -17.488 0.572 2.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -18.631 -1.211 1.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -17.313 -1.838 0.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -17.494 -2.201 2.391 1.00 0.00 H new ATOM 1207 N ASP A 78 -12.610 -5.082 0.289 1.00 0.00 N ATOM 1208 CA ASP A 78 -12.660 -6.534 0.414 1.00 0.00 C ATOM 1209 C ASP A 78 -11.257 -7.133 0.369 1.00 0.00 C ATOM 1210 O ASP A 78 -11.072 -8.270 -0.063 1.00 0.00 O ATOM 1211 CB ASP A 78 -13.518 -7.132 -0.703 1.00 0.00 C ATOM 1212 CG ASP A 78 -14.979 -6.750 -0.576 1.00 0.00 C ATOM 1213 OD1 ASP A 78 -15.288 -5.543 -0.669 1.00 0.00 O ATOM 1214 OD2 ASP A 78 -15.816 -7.657 -0.385 1.00 0.00 O ATOM 0 H ASP A 78 -11.887 -4.738 -0.343 1.00 0.00 H new ATOM 0 HA ASP A 78 -13.108 -6.776 1.378 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -13.140 -6.795 -1.668 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -13.426 -8.218 -0.686 1.00 0.00 H new ATOM 1219 N TRP A 79 -10.275 -6.360 0.818 1.00 0.00 N ATOM 1220 CA TRP A 79 -8.890 -6.816 0.830 1.00 0.00 C ATOM 1221 C TRP A 79 -8.728 -8.039 1.733 1.00 0.00 C ATOM 1222 O TRP A 79 -9.140 -8.019 2.892 1.00 0.00 O ATOM 1223 CB TRP A 79 -7.967 -5.690 1.303 1.00 0.00 C ATOM 1224 CG TRP A 79 -6.512 -6.015 1.164 1.00 0.00 C ATOM 1225 CD1 TRP A 79 -5.604 -6.161 2.173 1.00 0.00 C ATOM 1226 CD2 TRP A 79 -5.795 -6.232 -0.056 1.00 0.00 C ATOM 1227 NE1 TRP A 79 -4.366 -6.457 1.655 1.00 0.00 N ATOM 1228 CE2 TRP A 79 -4.457 -6.506 0.289 1.00 0.00 C ATOM 1229 CE3 TRP A 79 -6.152 -6.222 -1.407 1.00 0.00 C ATOM 1230 CZ2 TRP A 79 -3.479 -6.767 -0.668 1.00 0.00 C ATOM 1231 CZ3 TRP A 79 -5.181 -6.481 -2.356 1.00 0.00 C ATOM 1232 CH2 TRP A 79 -3.858 -6.751 -1.982 1.00 0.00 C ATOM 0 H TRP A 79 -10.412 -5.416 1.178 1.00 0.00 H new ATOM 0 HA TRP A 79 -8.615 -7.099 -0.186 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -8.186 -4.787 0.733 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -8.184 -5.468 2.348 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -5.826 -6.059 3.225 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -3.518 -6.615 2.199 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -7.169 -6.015 -1.705 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -2.458 -6.975 -0.383 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -5.446 -6.475 -3.403 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -3.122 -6.951 -2.747 1.00 0.00 H new ATOM 1243 N PRO A 80 -8.123 -9.124 1.214 1.00 0.00 N ATOM 1244 CA PRO A 80 -7.914 -10.352 1.989 1.00 0.00 C ATOM 1245 C PRO A 80 -6.961 -10.142 3.161 1.00 0.00 C ATOM 1246 O PRO A 80 -7.015 -10.867 4.154 1.00 0.00 O ATOM 1247 CB PRO A 80 -7.308 -11.325 0.974 1.00 0.00 C ATOM 1248 CG PRO A 80 -6.730 -10.464 -0.094 1.00 0.00 C ATOM 1249 CD PRO A 80 -7.598 -9.241 -0.157 1.00 0.00 C ATOM 0 HA PRO A 80 -8.842 -10.710 2.435 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -6.542 -11.949 1.435 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -8.066 -11.997 0.571 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -5.698 -10.198 0.135 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -6.720 -10.985 -1.052 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -7.028 -8.358 -0.446 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -8.400 -9.355 -0.886 1.00 0.00 H new ATOM 1257 N GLY A 81 -6.089 -9.147 3.038 1.00 0.00 N ATOM 1258 CA GLY A 81 -5.136 -8.860 4.095 1.00 0.00 C ATOM 1259 C GLY A 81 -5.810 -8.570 5.422 1.00 0.00 C ATOM 1260 O GLY A 81 -5.381 -9.067 6.464 1.00 0.00 O ATOM 0 H GLY A 81 -6.025 -8.534 2.225 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.461 -9.708 4.212 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.525 -8.004 3.807 1.00 0.00 H new ATOM 1264 N TYR A 82 -6.866 -7.765 5.385 1.00 0.00 N ATOM 1265 CA TYR A 82 -7.599 -7.411 6.595 1.00 0.00 C ATOM 1266 C TYR A 82 -8.176 -8.655 7.266 1.00 0.00 C ATOM 1267 O TYR A 82 -7.901 -9.779 6.849 1.00 0.00 O ATOM 1268 CB TYR A 82 -8.725 -6.427 6.267 1.00 0.00 C ATOM 1269 CG TYR A 82 -8.256 -5.191 5.530 1.00 0.00 C ATOM 1270 CD1 TYR A 82 -7.046 -4.585 5.847 1.00 0.00 C ATOM 1271 CD2 TYR A 82 -9.026 -4.630 4.518 1.00 0.00 C ATOM 1272 CE1 TYR A 82 -6.617 -3.456 5.176 1.00 0.00 C ATOM 1273 CE2 TYR A 82 -8.603 -3.500 3.842 1.00 0.00 C ATOM 1274 CZ TYR A 82 -7.398 -2.917 4.175 1.00 0.00 C ATOM 1275 OH TYR A 82 -6.975 -1.794 3.505 1.00 0.00 O ATOM 0 H TYR A 82 -7.233 -7.345 4.531 1.00 0.00 H new ATOM 0 HA TYR A 82 -6.901 -6.937 7.285 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -9.476 -6.936 5.663 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -9.212 -6.124 7.194 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -6.431 -5.003 6.630 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -9.970 -5.084 4.255 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -5.674 -2.997 5.434 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -9.213 -3.076 3.058 1.00 0.00 H new ATOM 0 HH TYR A 82 -6.023 -1.647 3.682 1.00 0.00 H new ATOM 1285 N SER A 83 -8.976 -8.444 8.306 1.00 0.00 N ATOM 1286 CA SER A 83 -9.591 -9.549 9.033 1.00 0.00 C ATOM 1287 C SER A 83 -10.860 -9.092 9.744 1.00 0.00 C ATOM 1288 O SER A 83 -11.921 -9.697 9.589 1.00 0.00 O ATOM 1289 CB SER A 83 -8.604 -10.130 10.047 1.00 0.00 C ATOM 1290 OG SER A 83 -7.865 -11.200 9.485 1.00 0.00 O ATOM 0 H SER A 83 -9.214 -7.519 8.664 1.00 0.00 H new ATOM 0 HA SER A 83 -9.859 -10.322 8.313 1.00 0.00 H new ATOM 0 HB2 SER A 83 -7.921 -9.349 10.383 1.00 0.00 H new ATOM 0 HB3 SER A 83 -9.145 -10.480 10.926 1.00 0.00 H new ATOM 0 HG SER A 83 -7.686 -11.013 8.540 1.00 0.00 H new ATOM 1296 N GLU A 84 -10.744 -8.023 10.524 1.00 0.00 N ATOM 1297 CA GLU A 84 -11.883 -7.487 11.260 1.00 0.00 C ATOM 1298 C GLU A 84 -11.602 -6.066 11.738 1.00 0.00 C ATOM 1299 O GLU A 84 -12.322 -5.129 11.391 1.00 0.00 O ATOM 1300 CB GLU A 84 -12.215 -8.388 12.452 1.00 0.00 C ATOM 1301 CG GLU A 84 -13.656 -8.871 12.465 1.00 0.00 C ATOM 1302 CD GLU A 84 -13.847 -10.114 13.312 1.00 0.00 C ATOM 1303 OE1 GLU A 84 -13.156 -10.241 14.344 1.00 0.00 O ATOM 1304 OE2 GLU A 84 -14.687 -10.961 12.942 1.00 0.00 O ATOM 0 H GLU A 84 -9.873 -7.511 10.663 1.00 0.00 H new ATOM 0 HA GLU A 84 -12.740 -7.459 10.587 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -11.551 -9.252 12.440 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.014 -7.844 13.375 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -14.298 -8.076 12.843 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.975 -9.079 11.444 1.00 0.00 H new ATOM 1311 N GLY A 85 -10.551 -5.912 12.537 1.00 0.00 N ATOM 1312 CA GLY A 85 -10.194 -4.603 13.050 1.00 0.00 C ATOM 1313 C GLY A 85 -9.726 -3.660 11.959 1.00 0.00 C ATOM 1314 O GLY A 85 -10.063 -2.475 11.968 1.00 0.00 O ATOM 0 H GLY A 85 -9.940 -6.671 12.838 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -11.055 -4.168 13.557 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -9.406 -4.711 13.795 1.00 0.00 H new ATOM 1318 N ASP A 86 -8.950 -4.184 11.018 1.00 0.00 N ATOM 1319 CA ASP A 86 -8.435 -3.380 9.915 1.00 0.00 C ATOM 1320 C ASP A 86 -9.567 -2.928 8.997 1.00 0.00 C ATOM 1321 O ASP A 86 -9.503 -1.852 8.402 1.00 0.00 O ATOM 1322 CB ASP A 86 -7.402 -4.176 9.115 1.00 0.00 C ATOM 1323 CG ASP A 86 -6.079 -4.303 9.844 1.00 0.00 C ATOM 1324 OD1 ASP A 86 -5.636 -3.304 10.449 1.00 0.00 O ATOM 1325 OD2 ASP A 86 -5.487 -5.402 9.810 1.00 0.00 O ATOM 0 H ASP A 86 -8.663 -5.163 10.996 1.00 0.00 H new ATOM 0 HA ASP A 86 -7.956 -2.496 10.335 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -7.796 -5.171 8.907 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.238 -3.690 8.153 1.00 0.00 H new ATOM 1330 N GLN A 87 -10.600 -3.756 8.889 1.00 0.00 N ATOM 1331 CA GLN A 87 -11.746 -3.442 8.044 1.00 0.00 C ATOM 1332 C GLN A 87 -12.499 -2.226 8.577 1.00 0.00 C ATOM 1333 O GLN A 87 -12.926 -1.363 7.810 1.00 0.00 O ATOM 1334 CB GLN A 87 -12.688 -4.644 7.957 1.00 0.00 C ATOM 1335 CG GLN A 87 -12.053 -5.870 7.323 1.00 0.00 C ATOM 1336 CD GLN A 87 -12.930 -7.102 7.428 1.00 0.00 C ATOM 1337 OE1 GLN A 87 -13.611 -7.310 8.432 1.00 0.00 O ATOM 1338 NE2 GLN A 87 -12.917 -7.929 6.388 1.00 0.00 N ATOM 0 H GLN A 87 -10.667 -4.650 9.376 1.00 0.00 H new ATOM 0 HA GLN A 87 -11.376 -3.208 7.046 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -13.030 -4.900 8.960 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -13.570 -4.363 7.381 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -11.846 -5.665 6.273 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -11.095 -6.068 7.804 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -12.337 -7.718 5.576 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -13.487 -8.775 6.402 1.00 0.00 H new ATOM 1347 N GLN A 88 -12.660 -2.168 9.894 1.00 0.00 N ATOM 1348 CA GLN A 88 -13.363 -1.060 10.530 1.00 0.00 C ATOM 1349 C GLN A 88 -12.511 0.206 10.512 1.00 0.00 C ATOM 1350 O GLN A 88 -13.035 1.318 10.445 1.00 0.00 O ATOM 1351 CB GLN A 88 -13.731 -1.420 11.970 1.00 0.00 C ATOM 1352 CG GLN A 88 -14.479 -2.736 12.097 1.00 0.00 C ATOM 1353 CD GLN A 88 -15.393 -2.773 13.305 1.00 0.00 C ATOM 1354 OE1 GLN A 88 -16.335 -1.988 13.410 1.00 0.00 O ATOM 1355 NE2 GLN A 88 -15.119 -3.690 14.226 1.00 0.00 N ATOM 0 H GLN A 88 -12.313 -2.875 10.542 1.00 0.00 H new ATOM 0 HA GLN A 88 -14.276 -0.871 9.966 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -12.820 -1.471 12.567 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -14.343 -0.622 12.390 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -15.068 -2.903 11.195 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -13.761 -3.553 12.165 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -14.328 -4.321 14.098 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -15.700 -3.763 15.061 1.00 0.00 H new ATOM 1364 N LEU A 89 -11.196 0.030 10.573 1.00 0.00 N ATOM 1365 CA LEU A 89 -10.270 1.157 10.565 1.00 0.00 C ATOM 1366 C LEU A 89 -10.189 1.786 9.178 1.00 0.00 C ATOM 1367 O LEU A 89 -9.948 2.985 9.043 1.00 0.00 O ATOM 1368 CB LEU A 89 -8.880 0.706 11.014 1.00 0.00 C ATOM 1369 CG LEU A 89 -8.004 1.806 11.616 1.00 0.00 C ATOM 1370 CD1 LEU A 89 -8.455 2.132 13.031 1.00 0.00 C ATOM 1371 CD2 LEU A 89 -6.542 1.389 11.603 1.00 0.00 C ATOM 0 H LEU A 89 -10.746 -0.884 10.629 1.00 0.00 H new ATOM 0 HA LEU A 89 -10.644 1.906 11.263 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -8.993 -0.090 11.750 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -8.360 0.277 10.158 1.00 0.00 H new ATOM 0 HG LEU A 89 -8.110 2.704 11.007 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -7.821 2.916 13.443 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -9.490 2.474 13.013 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -8.378 1.239 13.652 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -5.933 2.183 12.035 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.418 0.478 12.188 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.225 1.206 10.576 1.00 0.00 H new ATOM 1383 N LEU A 90 -10.391 0.969 8.149 1.00 0.00 N ATOM 1384 CA LEU A 90 -10.340 1.446 6.772 1.00 0.00 C ATOM 1385 C LEU A 90 -11.592 2.246 6.425 1.00 0.00 C ATOM 1386 O LEU A 90 -11.548 3.162 5.604 1.00 0.00 O ATOM 1387 CB LEU A 90 -10.190 0.268 5.808 1.00 0.00 C ATOM 1388 CG LEU A 90 -9.784 0.646 4.382 1.00 0.00 C ATOM 1389 CD1 LEU A 90 -8.296 0.952 4.314 1.00 0.00 C ATOM 1390 CD2 LEU A 90 -10.147 -0.469 3.413 1.00 0.00 C ATOM 0 H LEU A 90 -10.592 -0.027 8.243 1.00 0.00 H new ATOM 0 HA LEU A 90 -9.474 2.101 6.673 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -9.446 -0.419 6.211 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -11.136 -0.273 5.769 1.00 0.00 H new ATOM 0 HG LEU A 90 -10.331 1.544 4.094 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -8.026 1.219 3.292 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -8.065 1.784 4.979 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -7.729 0.073 4.621 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -9.851 -0.184 2.403 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -9.627 -1.383 3.699 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -11.223 -0.640 3.441 1.00 0.00 H new ATOM 1402 N LYS A 91 -12.708 1.892 7.055 1.00 0.00 N ATOM 1403 CA LYS A 91 -13.973 2.575 6.811 1.00 0.00 C ATOM 1404 C LYS A 91 -13.921 4.015 7.317 1.00 0.00 C ATOM 1405 O LYS A 91 -14.237 4.951 6.583 1.00 0.00 O ATOM 1406 CB LYS A 91 -15.121 1.823 7.488 1.00 0.00 C ATOM 1407 CG LYS A 91 -15.919 0.947 6.537 1.00 0.00 C ATOM 1408 CD LYS A 91 -17.277 0.584 7.118 1.00 0.00 C ATOM 1409 CE LYS A 91 -17.278 -0.823 7.693 1.00 0.00 C ATOM 1410 NZ LYS A 91 -16.680 -0.866 9.056 1.00 0.00 N ATOM 0 H LYS A 91 -12.762 1.136 7.738 1.00 0.00 H new ATOM 0 HA LYS A 91 -14.146 2.594 5.735 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -14.716 1.202 8.287 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -15.792 2.545 7.954 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -16.055 1.468 5.589 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -15.359 0.037 6.323 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -17.543 1.297 7.898 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -18.039 0.662 6.342 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -18.301 -1.198 7.733 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -16.721 -1.486 7.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -15.990 -1.643 9.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -16.202 0.036 9.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -17.430 -1.022 9.759 1.00 0.00 H new ATOM 1424 N ARG A 92 -13.522 4.182 8.573 1.00 0.00 N ATOM 1425 CA ARG A 92 -13.431 5.507 9.178 1.00 0.00 C ATOM 1426 C ARG A 92 -12.507 6.415 8.371 1.00 0.00 C ATOM 1427 O ARG A 92 -12.691 7.632 8.338 1.00 0.00 O ATOM 1428 CB ARG A 92 -12.928 5.400 10.619 1.00 0.00 C ATOM 1429 CG ARG A 92 -11.611 4.651 10.749 1.00 0.00 C ATOM 1430 CD ARG A 92 -10.781 5.183 11.907 1.00 0.00 C ATOM 1431 NE ARG A 92 -10.012 6.367 11.531 1.00 0.00 N ATOM 1432 CZ ARG A 92 -9.476 7.212 12.409 1.00 0.00 C ATOM 1433 NH1 ARG A 92 -9.624 7.008 13.712 1.00 0.00 N ATOM 1434 NH2 ARG A 92 -8.791 8.264 11.983 1.00 0.00 N ATOM 0 H ARG A 92 -13.256 3.417 9.193 1.00 0.00 H new ATOM 0 HA ARG A 92 -14.429 5.945 9.180 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -12.808 6.403 11.029 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -13.684 4.897 11.223 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -11.808 3.589 10.898 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -11.045 4.743 9.822 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -11.438 5.428 12.742 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -10.101 4.404 12.254 1.00 0.00 H new ATOM 0 HE ARG A 92 -9.878 6.557 10.538 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -10.151 6.200 14.045 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -9.211 7.659 14.380 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -8.675 8.426 10.983 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -8.380 8.912 12.656 1.00 0.00 H new ATOM 1448 N VAL A 93 -11.514 5.816 7.721 1.00 0.00 N ATOM 1449 CA VAL A 93 -10.563 6.573 6.915 1.00 0.00 C ATOM 1450 C VAL A 93 -11.181 6.986 5.582 1.00 0.00 C ATOM 1451 O VAL A 93 -11.014 8.120 5.134 1.00 0.00 O ATOM 1452 CB VAL A 93 -9.282 5.760 6.644 1.00 0.00 C ATOM 1453 CG1 VAL A 93 -8.245 6.615 5.932 1.00 0.00 C ATOM 1454 CG2 VAL A 93 -8.720 5.198 7.942 1.00 0.00 C ATOM 0 H VAL A 93 -11.347 4.810 7.737 1.00 0.00 H new ATOM 0 HA VAL A 93 -10.303 7.465 7.486 1.00 0.00 H new ATOM 0 HB VAL A 93 -9.537 4.924 5.993 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -7.348 6.023 5.750 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -8.650 6.962 4.981 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -7.992 7.474 6.554 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -7.816 4.627 7.730 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -8.481 6.017 8.620 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -9.460 4.546 8.407 1.00 0.00 H new ATOM 1464 N LEU A 94 -11.895 6.059 4.954 1.00 0.00 N ATOM 1465 CA LEU A 94 -12.537 6.326 3.673 1.00 0.00 C ATOM 1466 C LEU A 94 -13.555 7.456 3.797 1.00 0.00 C ATOM 1467 O LEU A 94 -13.673 8.299 2.908 1.00 0.00 O ATOM 1468 CB LEU A 94 -13.224 5.064 3.149 1.00 0.00 C ATOM 1469 CG LEU A 94 -12.278 3.925 2.764 1.00 0.00 C ATOM 1470 CD1 LEU A 94 -13.003 2.589 2.813 1.00 0.00 C ATOM 1471 CD2 LEU A 94 -11.692 4.165 1.381 1.00 0.00 C ATOM 0 H LEU A 94 -12.044 5.115 5.312 1.00 0.00 H new ATOM 0 HA LEU A 94 -11.765 6.632 2.967 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -13.914 4.701 3.911 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -13.822 5.329 2.277 1.00 0.00 H new ATOM 0 HG LEU A 94 -11.460 3.898 3.484 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -12.314 1.791 2.536 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -13.375 2.414 3.823 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -13.840 2.604 2.115 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -11.021 3.345 1.123 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -12.498 4.219 0.649 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -11.136 5.103 1.379 1.00 0.00 H new ATOM 1483 N VAL A 95 -14.287 7.467 4.906 1.00 0.00 N ATOM 1484 CA VAL A 95 -15.294 8.493 5.146 1.00 0.00 C ATOM 1485 C VAL A 95 -14.647 9.834 5.474 1.00 0.00 C ATOM 1486 O VAL A 95 -15.104 10.883 5.018 1.00 0.00 O ATOM 1487 CB VAL A 95 -16.238 8.098 6.297 1.00 0.00 C ATOM 1488 CG1 VAL A 95 -17.390 9.084 6.407 1.00 0.00 C ATOM 1489 CG2 VAL A 95 -16.755 6.679 6.101 1.00 0.00 C ATOM 0 H VAL A 95 -14.201 6.777 5.652 1.00 0.00 H new ATOM 0 HA VAL A 95 -15.873 8.586 4.227 1.00 0.00 H new ATOM 0 HB VAL A 95 -15.676 8.129 7.230 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -18.046 8.788 7.226 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -16.997 10.082 6.600 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -17.954 9.090 5.474 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -17.420 6.417 6.924 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -17.301 6.617 5.159 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -15.915 5.985 6.079 1.00 0.00 H new ATOM 1499 N ARG A 96 -13.581 9.795 6.266 1.00 0.00 N ATOM 1500 CA ARG A 96 -12.872 11.009 6.654 1.00 0.00 C ATOM 1501 C ARG A 96 -12.194 11.652 5.449 1.00 0.00 C ATOM 1502 O ARG A 96 -12.082 12.876 5.366 1.00 0.00 O ATOM 1503 CB ARG A 96 -11.834 10.696 7.733 1.00 0.00 C ATOM 1504 CG ARG A 96 -11.650 11.819 8.744 1.00 0.00 C ATOM 1505 CD ARG A 96 -11.785 11.315 10.171 1.00 0.00 C ATOM 1506 NE ARG A 96 -10.826 11.953 11.071 1.00 0.00 N ATOM 1507 CZ ARG A 96 -10.844 13.247 11.375 1.00 0.00 C ATOM 1508 NH1 ARG A 96 -11.768 14.047 10.857 1.00 0.00 N ATOM 1509 NH2 ARG A 96 -9.934 13.747 12.202 1.00 0.00 N ATOM 0 H ARG A 96 -13.189 8.936 6.652 1.00 0.00 H new ATOM 0 HA ARG A 96 -13.601 11.713 7.055 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -12.131 9.789 8.260 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -10.877 10.488 7.255 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -10.668 12.273 8.609 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -12.390 12.599 8.561 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -12.798 11.504 10.528 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -11.637 10.235 10.190 1.00 0.00 H new ATOM 0 HE ARG A 96 -10.101 11.371 11.490 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -12.471 13.670 10.221 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -11.775 15.039 11.095 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -9.221 13.138 12.604 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -9.948 14.740 12.435 1.00 0.00 H new ATOM 1523 N LYS A 97 -11.743 10.819 4.517 1.00 0.00 N ATOM 1524 CA LYS A 97 -11.075 11.306 3.316 1.00 0.00 C ATOM 1525 C LYS A 97 -12.093 11.698 2.249 1.00 0.00 C ATOM 1526 O LYS A 97 -12.045 12.802 1.707 1.00 0.00 O ATOM 1527 CB LYS A 97 -10.128 10.239 2.764 1.00 0.00 C ATOM 1528 CG LYS A 97 -9.010 9.864 3.724 1.00 0.00 C ATOM 1529 CD LYS A 97 -7.998 10.990 3.866 1.00 0.00 C ATOM 1530 CE LYS A 97 -7.145 10.817 5.113 1.00 0.00 C ATOM 1531 NZ LYS A 97 -6.474 12.086 5.506 1.00 0.00 N ATOM 0 H LYS A 97 -11.828 9.804 4.570 1.00 0.00 H new ATOM 0 HA LYS A 97 -10.497 12.190 3.586 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -10.703 9.345 2.521 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -9.691 10.599 1.833 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -9.432 9.627 4.701 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -8.508 8.965 3.367 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -7.356 11.017 2.985 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -8.519 11.946 3.910 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -7.770 10.467 5.935 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -6.393 10.049 4.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -5.902 11.926 6.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -5.858 12.407 4.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -7.192 12.813 5.701 1.00 0.00 H new