USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 808 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 51 THR OG1 : rot -59:sc= 0.683 USER MOD Set 1.2: A 53 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 31 ASN : amide:sc= -1.65! C(o=-2.9!,f=-8.3!) USER MOD Set 2.2: A 34 ASN : amide:sc= -1.22! C(o=-2.9!,f=-6!) USER MOD Single : A 13 SER OG : rot 76:sc= 0.00249 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HD1:sc= -0.0598 K(o=-0.06,f=-0.57) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN :FLIP amide:sc= 0 F(o=-0.79,f=0) USER MOD Single : A 30 MET CE :methyl -175:sc= -4.66! (180deg=-4.79!) USER MOD Single : A 33 LYS NZ :NH3+ -172:sc= -0.0131 (180deg=-0.122) USER MOD Single : A 37 LYS NZ :NH3+ 171:sc=-0.00977 (180deg=-0.125) USER MOD Single : A 39 CYS SG : rot 150:sc= -5.65! USER MOD Single : A 40 LYS NZ :NH3+ 167:sc= -0.0216 (180deg=-0.168) USER MOD Single : A 42 CYS SG : rot 60:sc= -4.16! USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 120:sc= -0.198 USER MOD Single : A 60 SER OG : rot 82:sc= 0.744 USER MOD Single : A 61 LYS NZ :NH3+ 167:sc= -0.0104 (180deg=-0.166) USER MOD Single : A 63 LYS NZ :NH3+ -120:sc= 1.22 (180deg=-0.457) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -1.79! C(o=-1.8!,f=-12!) USER MOD Single : A 72 TYR OH : rot 180:sc= -0.0243 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot -12:sc= 0.805 USER MOD Single : A 85 LYS NZ :NH3+ -137:sc= -1.1! (180deg=-3.7!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ -118:sc= 1.09 (180deg=-0.963) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 173:sc= 0.679 (180deg=0.647) USER MOD Single : A 100 CYS SG : rot 87:sc= -0.369 USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 77 N ILE A 7 13.511 1.235 -0.813 1.00 0.00 N ATOM 78 CA ILE A 7 13.935 0.048 -0.055 1.00 0.00 C ATOM 79 C ILE A 7 13.606 -1.254 -0.822 1.00 0.00 C ATOM 80 O ILE A 7 12.441 -1.564 -1.086 1.00 0.00 O ATOM 81 CB ILE A 7 13.293 0.018 1.369 1.00 0.00 C ATOM 82 CG1 ILE A 7 13.648 -1.287 2.108 1.00 0.00 C ATOM 83 CG2 ILE A 7 11.776 0.214 1.310 1.00 0.00 C ATOM 84 CD1 ILE A 7 15.133 -1.469 2.358 1.00 0.00 C ATOM 0 HA ILE A 7 15.017 0.112 0.063 1.00 0.00 H new ATOM 0 HB ILE A 7 13.711 0.853 1.931 1.00 0.00 H new ATOM 0 HG12 ILE A 7 13.124 -1.306 3.064 1.00 0.00 H new ATOM 0 HG13 ILE A 7 13.281 -2.133 1.527 1.00 0.00 H new ATOM 0 HG21 ILE A 7 11.366 0.187 2.320 1.00 0.00 H new ATOM 0 HG22 ILE A 7 11.551 1.178 0.853 1.00 0.00 H new ATOM 0 HG23 ILE A 7 11.329 -0.583 0.716 1.00 0.00 H new ATOM 0 HD11 ILE A 7 15.301 -2.410 2.882 1.00 0.00 H new ATOM 0 HD12 ILE A 7 15.663 -1.484 1.406 1.00 0.00 H new ATOM 0 HD13 ILE A 7 15.503 -0.644 2.966 1.00 0.00 H new ATOM 96 N ALA A 8 14.653 -2.014 -1.161 1.00 0.00 N ATOM 97 CA ALA A 8 14.533 -3.232 -1.983 1.00 0.00 C ATOM 98 C ALA A 8 13.435 -4.198 -1.500 1.00 0.00 C ATOM 99 O ALA A 8 12.709 -4.777 -2.314 1.00 0.00 O ATOM 100 CB ALA A 8 15.876 -3.950 -2.030 1.00 0.00 C ATOM 0 H ALA A 8 15.610 -1.805 -0.875 1.00 0.00 H new ATOM 0 HA ALA A 8 14.236 -2.909 -2.981 1.00 0.00 H new ATOM 0 HB1 ALA A 8 15.786 -4.850 -2.638 1.00 0.00 H new ATOM 0 HB2 ALA A 8 16.626 -3.291 -2.467 1.00 0.00 H new ATOM 0 HB3 ALA A 8 16.178 -4.224 -1.019 1.00 0.00 H new ATOM 106 N GLY A 9 13.329 -4.381 -0.184 1.00 0.00 N ATOM 107 CA GLY A 9 12.316 -5.279 0.374 1.00 0.00 C ATOM 108 C GLY A 9 10.884 -4.904 -0.019 1.00 0.00 C ATOM 109 O GLY A 9 10.044 -5.778 -0.255 1.00 0.00 O ATOM 0 H GLY A 9 13.924 -3.926 0.509 1.00 0.00 H new ATOM 0 HA2 GLY A 9 12.521 -6.297 0.041 1.00 0.00 H new ATOM 0 HA3 GLY A 9 12.399 -5.276 1.461 1.00 0.00 H new ATOM 113 N LEU A 10 10.606 -3.605 -0.102 1.00 0.00 N ATOM 114 CA LEU A 10 9.267 -3.120 -0.456 1.00 0.00 C ATOM 115 C LEU A 10 9.029 -3.226 -1.971 1.00 0.00 C ATOM 116 O LEU A 10 7.937 -3.586 -2.417 1.00 0.00 O ATOM 117 CB LEU A 10 9.088 -1.670 0.017 1.00 0.00 C ATOM 118 CG LEU A 10 7.652 -1.127 -0.027 1.00 0.00 C ATOM 119 CD1 LEU A 10 6.741 -1.927 0.902 1.00 0.00 C ATOM 120 CD2 LEU A 10 7.627 0.356 0.337 1.00 0.00 C ATOM 0 H LEU A 10 11.288 -2.866 0.070 1.00 0.00 H new ATOM 0 HA LEU A 10 8.530 -3.747 0.046 1.00 0.00 H new ATOM 0 HB2 LEU A 10 9.454 -1.593 1.041 1.00 0.00 H new ATOM 0 HB3 LEU A 10 9.719 -1.027 -0.596 1.00 0.00 H new ATOM 0 HG LEU A 10 7.277 -1.236 -1.045 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.729 -1.525 0.854 1.00 0.00 H new ATOM 0 HD12 LEU A 10 6.731 -2.972 0.591 1.00 0.00 H new ATOM 0 HD13 LEU A 10 7.112 -1.856 1.925 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.601 0.722 0.300 1.00 0.00 H new ATOM 0 HD22 LEU A 10 8.025 0.490 1.343 1.00 0.00 H new ATOM 0 HD23 LEU A 10 8.238 0.915 -0.372 1.00 0.00 H new ATOM 132 N GLU A 11 10.060 -2.906 -2.757 1.00 0.00 N ATOM 133 CA GLU A 11 10.015 -3.093 -4.215 1.00 0.00 C ATOM 134 C GLU A 11 9.684 -4.555 -4.565 1.00 0.00 C ATOM 135 O GLU A 11 8.893 -4.838 -5.475 1.00 0.00 O ATOM 136 CB GLU A 11 11.366 -2.712 -4.844 1.00 0.00 C ATOM 137 CG GLU A 11 11.797 -1.269 -4.590 1.00 0.00 C ATOM 138 CD GLU A 11 13.110 -0.921 -5.280 1.00 0.00 C ATOM 139 OE1 GLU A 11 14.186 -1.223 -4.716 1.00 0.00 O ATOM 140 OE2 GLU A 11 13.072 -0.364 -6.401 1.00 0.00 O ATOM 0 H GLU A 11 10.937 -2.516 -2.411 1.00 0.00 H new ATOM 0 HA GLU A 11 9.234 -2.446 -4.615 1.00 0.00 H new ATOM 0 HB2 GLU A 11 12.134 -3.381 -4.457 1.00 0.00 H new ATOM 0 HB3 GLU A 11 11.311 -2.878 -5.920 1.00 0.00 H new ATOM 0 HG2 GLU A 11 11.016 -0.593 -4.940 1.00 0.00 H new ATOM 0 HG3 GLU A 11 11.901 -1.108 -3.517 1.00 0.00 H new ATOM 147 N GLU A 12 10.310 -5.474 -3.826 1.00 0.00 N ATOM 148 CA GLU A 12 10.077 -6.912 -3.989 1.00 0.00 C ATOM 149 C GLU A 12 8.586 -7.238 -3.800 1.00 0.00 C ATOM 150 O GLU A 12 7.954 -7.825 -4.675 1.00 0.00 O ATOM 151 CB GLU A 12 10.924 -7.699 -2.971 1.00 0.00 C ATOM 152 CG GLU A 12 11.003 -9.200 -3.241 1.00 0.00 C ATOM 153 CD GLU A 12 11.793 -9.529 -4.501 1.00 0.00 C ATOM 154 OE1 GLU A 12 13.041 -9.513 -4.445 1.00 0.00 O ATOM 155 OE2 GLU A 12 11.174 -9.804 -5.551 1.00 0.00 O ATOM 0 H GLU A 12 10.990 -5.244 -3.101 1.00 0.00 H new ATOM 0 HA GLU A 12 10.371 -7.203 -4.998 1.00 0.00 H new ATOM 0 HB2 GLU A 12 11.934 -7.290 -2.964 1.00 0.00 H new ATOM 0 HB3 GLU A 12 10.510 -7.543 -1.975 1.00 0.00 H new ATOM 0 HG2 GLU A 12 11.466 -9.695 -2.387 1.00 0.00 H new ATOM 0 HG3 GLU A 12 9.994 -9.602 -3.334 1.00 0.00 H new ATOM 162 N SER A 13 8.041 -6.839 -2.646 1.00 0.00 N ATOM 163 CA SER A 13 6.597 -6.960 -2.359 1.00 0.00 C ATOM 164 C SER A 13 5.726 -6.456 -3.522 1.00 0.00 C ATOM 165 O SER A 13 4.838 -7.166 -3.981 1.00 0.00 O ATOM 166 CB SER A 13 6.249 -6.180 -1.079 1.00 0.00 C ATOM 167 OG SER A 13 6.863 -6.749 0.072 1.00 0.00 O ATOM 0 H SER A 13 8.580 -6.425 -1.885 1.00 0.00 H new ATOM 0 HA SER A 13 6.383 -8.020 -2.222 1.00 0.00 H new ATOM 0 HB2 SER A 13 6.570 -5.144 -1.187 1.00 0.00 H new ATOM 0 HB3 SER A 13 5.167 -6.167 -0.945 1.00 0.00 H new ATOM 0 HG SER A 13 7.814 -6.512 0.087 1.00 0.00 H new ATOM 173 N PHE A 14 5.980 -5.242 -4.017 1.00 0.00 N ATOM 174 CA PHE A 14 5.172 -4.687 -5.111 1.00 0.00 C ATOM 175 C PHE A 14 5.072 -5.679 -6.290 1.00 0.00 C ATOM 176 O PHE A 14 3.987 -5.920 -6.825 1.00 0.00 O ATOM 177 CB PHE A 14 5.749 -3.349 -5.599 1.00 0.00 C ATOM 178 CG PHE A 14 4.862 -2.654 -6.600 1.00 0.00 C ATOM 179 CD1 PHE A 14 3.814 -1.850 -6.175 1.00 0.00 C ATOM 180 CD2 PHE A 14 5.061 -2.820 -7.965 1.00 0.00 C ATOM 181 CE1 PHE A 14 2.986 -1.227 -7.086 1.00 0.00 C ATOM 182 CE2 PHE A 14 4.233 -2.199 -8.879 1.00 0.00 C ATOM 183 CZ PHE A 14 3.192 -1.402 -8.440 1.00 0.00 C ATOM 0 H PHE A 14 6.726 -4.631 -3.685 1.00 0.00 H new ATOM 0 HA PHE A 14 4.170 -4.513 -4.719 1.00 0.00 H new ATOM 0 HB2 PHE A 14 5.904 -2.693 -4.743 1.00 0.00 H new ATOM 0 HB3 PHE A 14 6.727 -3.524 -6.048 1.00 0.00 H new ATOM 0 HD1 PHE A 14 3.644 -1.710 -5.118 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.872 -3.441 -8.315 1.00 0.00 H new ATOM 0 HE1 PHE A 14 2.176 -0.602 -6.740 1.00 0.00 H new ATOM 0 HE2 PHE A 14 4.399 -2.336 -9.937 1.00 0.00 H new ATOM 0 HZ PHE A 14 2.542 -0.918 -9.154 1.00 0.00 H new ATOM 193 N ARG A 15 6.208 -6.260 -6.685 1.00 0.00 N ATOM 194 CA ARG A 15 6.222 -7.258 -7.769 1.00 0.00 C ATOM 195 C ARG A 15 5.556 -8.578 -7.341 1.00 0.00 C ATOM 196 O ARG A 15 4.745 -9.137 -8.085 1.00 0.00 O ATOM 197 CB ARG A 15 7.657 -7.521 -8.261 1.00 0.00 C ATOM 198 CG ARG A 15 8.015 -6.769 -9.539 1.00 0.00 C ATOM 199 CD ARG A 15 8.042 -5.255 -9.341 1.00 0.00 C ATOM 200 NE ARG A 15 9.182 -4.823 -8.533 1.00 0.00 N ATOM 201 CZ ARG A 15 9.753 -3.652 -8.642 1.00 0.00 C ATOM 202 NH1 ARG A 15 9.310 -2.776 -9.486 1.00 0.00 N ATOM 203 NH2 ARG A 15 10.773 -3.356 -7.910 1.00 0.00 N ATOM 0 H ARG A 15 7.123 -6.063 -6.279 1.00 0.00 H new ATOM 0 HA ARG A 15 5.641 -6.842 -8.592 1.00 0.00 H new ATOM 0 HB2 ARG A 15 8.358 -7.239 -7.476 1.00 0.00 H new ATOM 0 HB3 ARG A 15 7.783 -8.590 -8.432 1.00 0.00 H new ATOM 0 HG2 ARG A 15 8.991 -7.103 -9.892 1.00 0.00 H new ATOM 0 HG3 ARG A 15 7.293 -7.017 -10.317 1.00 0.00 H new ATOM 0 HD2 ARG A 15 8.081 -4.764 -10.313 1.00 0.00 H new ATOM 0 HD3 ARG A 15 7.117 -4.937 -8.860 1.00 0.00 H new ATOM 0 HE ARG A 15 9.554 -5.475 -7.842 1.00 0.00 H new ATOM 0 HH11 ARG A 15 8.507 -2.996 -10.075 1.00 0.00 H new ATOM 0 HH12 ARG A 15 9.764 -1.866 -9.562 1.00 0.00 H new ATOM 0 HH21 ARG A 15 11.137 -4.037 -7.243 1.00 0.00 H new ATOM 0 HH22 ARG A 15 11.216 -2.441 -7.998 1.00 0.00 H new ATOM 217 N LYS A 16 5.901 -9.071 -6.147 1.00 0.00 N ATOM 218 CA LYS A 16 5.318 -10.311 -5.610 1.00 0.00 C ATOM 219 C LYS A 16 3.789 -10.238 -5.608 1.00 0.00 C ATOM 220 O LYS A 16 3.107 -11.194 -5.965 1.00 0.00 O ATOM 221 CB LYS A 16 5.801 -10.565 -4.169 1.00 0.00 C ATOM 222 CG LYS A 16 7.304 -10.762 -4.020 1.00 0.00 C ATOM 223 CD LYS A 16 7.794 -11.998 -4.764 1.00 0.00 C ATOM 224 CE LYS A 16 9.278 -12.232 -4.520 1.00 0.00 C ATOM 225 NZ LYS A 16 9.805 -13.380 -5.297 1.00 0.00 N ATOM 0 H LYS A 16 6.583 -8.630 -5.530 1.00 0.00 H new ATOM 0 HA LYS A 16 5.644 -11.128 -6.254 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.496 -9.724 -3.546 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.294 -11.449 -3.782 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.824 -9.882 -4.397 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.555 -10.852 -2.963 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.227 -12.870 -4.439 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.612 -11.879 -5.832 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.833 -11.332 -4.785 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.445 -12.409 -3.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 10.819 -13.499 -5.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.295 -14.245 -5.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.671 -13.202 -6.313 1.00 0.00 H new ATOM 239 N PHE A 17 3.268 -9.085 -5.201 1.00 0.00 N ATOM 240 CA PHE A 17 1.829 -8.880 -5.084 1.00 0.00 C ATOM 241 C PHE A 17 1.155 -8.739 -6.464 1.00 0.00 C ATOM 242 O PHE A 17 0.012 -9.158 -6.658 1.00 0.00 O ATOM 243 CB PHE A 17 1.536 -7.640 -4.240 1.00 0.00 C ATOM 244 CG PHE A 17 0.441 -7.898 -3.264 1.00 0.00 C ATOM 245 CD1 PHE A 17 0.531 -8.984 -2.411 1.00 0.00 C ATOM 246 CD2 PHE A 17 -0.666 -7.080 -3.200 1.00 0.00 C ATOM 247 CE1 PHE A 17 -0.472 -9.244 -1.502 1.00 0.00 C ATOM 248 CE2 PHE A 17 -1.669 -7.334 -2.294 1.00 0.00 C ATOM 249 CZ PHE A 17 -1.573 -8.413 -1.444 1.00 0.00 C ATOM 0 H PHE A 17 3.827 -8.271 -4.945 1.00 0.00 H new ATOM 0 HA PHE A 17 1.415 -9.762 -4.595 1.00 0.00 H new ATOM 0 HB2 PHE A 17 2.438 -7.338 -3.707 1.00 0.00 H new ATOM 0 HB3 PHE A 17 1.258 -6.811 -4.891 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.393 -9.632 -2.458 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -0.747 -6.234 -3.866 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.397 -10.093 -0.839 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -2.532 -6.687 -2.249 1.00 0.00 H new ATOM 0 HZ PHE A 17 -2.360 -8.610 -0.731 1.00 0.00 H new ATOM 259 N ALA A 18 1.869 -8.129 -7.416 1.00 0.00 N ATOM 260 CA ALA A 18 1.336 -7.886 -8.766 1.00 0.00 C ATOM 261 C ALA A 18 1.115 -9.189 -9.540 1.00 0.00 C ATOM 262 O ALA A 18 0.001 -9.495 -9.968 1.00 0.00 O ATOM 263 CB ALA A 18 2.281 -6.967 -9.540 1.00 0.00 C ATOM 0 H ALA A 18 2.822 -7.792 -7.278 1.00 0.00 H new ATOM 0 HA ALA A 18 0.364 -7.404 -8.656 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.881 -6.791 -10.538 1.00 0.00 H new ATOM 0 HB2 ALA A 18 2.376 -6.017 -9.014 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.261 -7.437 -9.620 1.00 0.00 H new ATOM 269 N ILE A 19 2.183 -9.960 -9.704 1.00 0.00 N ATOM 270 CA ILE A 19 2.121 -11.221 -10.452 1.00 0.00 C ATOM 271 C ILE A 19 1.549 -12.355 -9.579 1.00 0.00 C ATOM 272 O ILE A 19 1.398 -13.493 -10.023 1.00 0.00 O ATOM 273 CB ILE A 19 3.522 -11.612 -10.987 1.00 0.00 C ATOM 274 CG1 ILE A 19 4.489 -11.897 -9.823 1.00 0.00 C ATOM 275 CG2 ILE A 19 4.069 -10.499 -11.887 1.00 0.00 C ATOM 276 CD1 ILE A 19 5.879 -12.315 -10.263 1.00 0.00 C ATOM 0 H ILE A 19 3.106 -9.738 -9.331 1.00 0.00 H new ATOM 0 HA ILE A 19 1.453 -11.072 -11.301 1.00 0.00 H new ATOM 0 HB ILE A 19 3.429 -12.524 -11.577 1.00 0.00 H new ATOM 0 HG12 ILE A 19 4.569 -11.004 -9.204 1.00 0.00 H new ATOM 0 HG13 ILE A 19 4.066 -12.682 -9.197 1.00 0.00 H new ATOM 0 HG21 ILE A 19 5.054 -10.782 -12.258 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.394 -10.347 -12.729 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.149 -9.575 -11.315 1.00 0.00 H new ATOM 0 HD11 ILE A 19 6.499 -12.497 -9.385 1.00 0.00 H new ATOM 0 HD12 ILE A 19 5.814 -13.227 -10.857 1.00 0.00 H new ATOM 0 HD13 ILE A 19 6.324 -11.522 -10.864 1.00 0.00 H new ATOM 288 N HIS A 20 1.222 -12.007 -8.336 1.00 0.00 N ATOM 289 CA HIS A 20 0.657 -12.937 -7.348 1.00 0.00 C ATOM 290 C HIS A 20 -0.571 -13.689 -7.890 1.00 0.00 C ATOM 291 O HIS A 20 -0.690 -14.908 -7.734 1.00 0.00 O ATOM 292 CB HIS A 20 0.263 -12.133 -6.101 1.00 0.00 C ATOM 293 CG HIS A 20 -0.104 -12.949 -4.898 1.00 0.00 C ATOM 294 ND1 HIS A 20 -1.390 -13.050 -4.418 1.00 0.00 N ATOM 295 CD2 HIS A 20 0.667 -13.666 -4.047 1.00 0.00 C ATOM 296 CE1 HIS A 20 -1.394 -13.787 -3.324 1.00 0.00 C ATOM 297 NE2 HIS A 20 -0.159 -14.173 -3.075 1.00 0.00 N ATOM 0 H HIS A 20 1.342 -11.060 -7.978 1.00 0.00 H new ATOM 0 HA HIS A 20 1.411 -13.688 -7.109 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.093 -11.478 -5.835 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -0.581 -11.492 -6.355 1.00 0.00 H new ATOM 0 HD2 HIS A 20 1.735 -13.812 -4.119 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -2.263 -14.033 -2.732 1.00 0.00 H new ATOM 0 HE2 HIS A 20 0.135 -14.753 -2.289 1.00 0.00 H new ATOM 306 N GLY A 21 -1.479 -12.957 -8.534 1.00 0.00 N ATOM 307 CA GLY A 21 -2.742 -13.548 -8.972 1.00 0.00 C ATOM 308 C GLY A 21 -2.896 -13.663 -10.486 1.00 0.00 C ATOM 309 O GLY A 21 -3.985 -13.978 -10.970 1.00 0.00 O ATOM 0 H GLY A 21 -1.367 -11.969 -8.761 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -2.835 -14.542 -8.534 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -3.564 -12.949 -8.580 1.00 0.00 H new ATOM 313 N ASP A 22 -1.823 -13.420 -11.236 1.00 0.00 N ATOM 314 CA ASP A 22 -1.874 -13.513 -12.702 1.00 0.00 C ATOM 315 C ASP A 22 -0.470 -13.751 -13.302 1.00 0.00 C ATOM 316 O ASP A 22 0.468 -13.005 -13.018 1.00 0.00 O ATOM 317 CB ASP A 22 -2.497 -12.240 -13.289 1.00 0.00 C ATOM 318 CG ASP A 22 -2.776 -12.370 -14.777 1.00 0.00 C ATOM 319 OD1 ASP A 22 -1.872 -12.079 -15.585 1.00 0.00 O ATOM 320 OD2 ASP A 22 -3.898 -12.779 -15.144 1.00 0.00 O ATOM 0 H ASP A 22 -0.911 -13.159 -10.860 1.00 0.00 H new ATOM 0 HA ASP A 22 -2.496 -14.369 -12.964 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -3.427 -12.018 -12.765 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.826 -11.398 -13.119 1.00 0.00 H new ATOM 325 N PRO A 23 -0.312 -14.790 -14.147 1.00 0.00 N ATOM 326 CA PRO A 23 0.989 -15.136 -14.753 1.00 0.00 C ATOM 327 C PRO A 23 1.432 -14.161 -15.865 1.00 0.00 C ATOM 328 O PRO A 23 2.628 -13.996 -16.114 1.00 0.00 O ATOM 329 CB PRO A 23 0.738 -16.533 -15.333 1.00 0.00 C ATOM 330 CG PRO A 23 -0.721 -16.549 -15.644 1.00 0.00 C ATOM 331 CD PRO A 23 -1.383 -15.720 -14.573 1.00 0.00 C ATOM 0 HA PRO A 23 1.795 -15.088 -14.021 1.00 0.00 H new ATOM 0 HB2 PRO A 23 1.337 -16.705 -16.227 1.00 0.00 H new ATOM 0 HB3 PRO A 23 1.001 -17.313 -14.618 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -0.914 -16.134 -16.633 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -1.109 -17.568 -15.644 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -2.250 -15.184 -14.958 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -1.732 -16.337 -13.745 1.00 0.00 H new ATOM 339 N LYS A 24 0.470 -13.515 -16.522 1.00 0.00 N ATOM 340 CA LYS A 24 0.763 -12.623 -17.656 1.00 0.00 C ATOM 341 C LYS A 24 0.850 -11.151 -17.224 1.00 0.00 C ATOM 342 O LYS A 24 1.057 -10.263 -18.053 1.00 0.00 O ATOM 343 CB LYS A 24 -0.315 -12.780 -18.736 1.00 0.00 C ATOM 344 CG LYS A 24 -0.423 -14.197 -19.288 1.00 0.00 C ATOM 345 CD LYS A 24 -1.530 -14.312 -20.332 1.00 0.00 C ATOM 346 CE LYS A 24 -1.627 -15.723 -20.895 1.00 0.00 C ATOM 347 NZ LYS A 24 -2.714 -15.842 -21.902 1.00 0.00 N ATOM 0 H LYS A 24 -0.521 -13.589 -16.293 1.00 0.00 H new ATOM 0 HA LYS A 24 1.735 -12.910 -18.056 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -1.279 -12.486 -18.321 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.099 -12.095 -19.556 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.529 -14.488 -19.733 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.619 -14.892 -18.471 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.484 -14.032 -19.884 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.340 -13.609 -21.143 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.676 -15.998 -21.352 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.806 -16.427 -20.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -2.748 -16.817 -22.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.625 -15.604 -21.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.530 -15.188 -22.690 1.00 0.00 H new ATOM 361 N ALA A 25 0.675 -10.902 -15.928 1.00 0.00 N ATOM 362 CA ALA A 25 0.764 -9.550 -15.374 1.00 0.00 C ATOM 363 C ALA A 25 2.108 -8.884 -15.705 1.00 0.00 C ATOM 364 O ALA A 25 3.169 -9.499 -15.569 1.00 0.00 O ATOM 365 CB ALA A 25 0.550 -9.593 -13.864 1.00 0.00 C ATOM 0 H ALA A 25 0.469 -11.623 -15.237 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.019 -8.948 -15.834 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.618 -8.584 -13.458 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.435 -10.006 -13.648 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.315 -10.220 -13.406 1.00 0.00 H new ATOM 371 N SER A 26 2.050 -7.623 -16.142 1.00 0.00 N ATOM 372 CA SER A 26 3.260 -6.856 -16.490 1.00 0.00 C ATOM 373 C SER A 26 4.234 -6.773 -15.304 1.00 0.00 C ATOM 374 O SER A 26 5.453 -6.779 -15.486 1.00 0.00 O ATOM 375 CB SER A 26 2.877 -5.440 -16.958 1.00 0.00 C ATOM 376 OG SER A 26 4.022 -4.667 -17.293 1.00 0.00 O ATOM 0 H SER A 26 1.179 -7.107 -16.265 1.00 0.00 H new ATOM 0 HA SER A 26 3.763 -7.380 -17.303 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.219 -5.509 -17.824 1.00 0.00 H new ATOM 0 HB3 SER A 26 2.316 -4.936 -16.171 1.00 0.00 H new ATOM 0 HG SER A 26 3.740 -3.776 -17.587 1.00 0.00 H new ATOM 382 N GLY A 27 3.690 -6.702 -14.089 1.00 0.00 N ATOM 383 CA GLY A 27 4.522 -6.663 -12.886 1.00 0.00 C ATOM 384 C GLY A 27 5.060 -5.271 -12.575 1.00 0.00 C ATOM 385 O GLY A 27 5.994 -5.117 -11.786 1.00 0.00 O ATOM 0 H GLY A 27 2.686 -6.671 -13.912 1.00 0.00 H new ATOM 0 HA2 GLY A 27 3.939 -7.019 -12.037 1.00 0.00 H new ATOM 0 HA3 GLY A 27 5.359 -7.350 -13.008 1.00 0.00 H new ATOM 389 N GLN A 28 4.478 -4.263 -13.211 1.00 0.00 N ATOM 390 CA GLN A 28 4.869 -2.862 -12.999 1.00 0.00 C ATOM 391 C GLN A 28 3.658 -2.008 -12.595 1.00 0.00 C ATOM 392 O GLN A 28 3.794 -0.988 -11.922 1.00 0.00 O ATOM 393 CB GLN A 28 5.514 -2.306 -14.282 1.00 0.00 C ATOM 394 CG GLN A 28 5.946 -0.840 -14.197 1.00 0.00 C ATOM 395 CD GLN A 28 7.022 -0.573 -13.150 1.00 0.00 C ATOM 396 OE1 GLN A 28 7.879 -1.548 -12.896 1.00 0.00 O flip ATOM 397 NE2 GLN A 28 7.089 0.512 -12.580 1.00 0.00 N flip ATOM 0 H GLN A 28 3.724 -4.385 -13.887 1.00 0.00 H new ATOM 0 HA GLN A 28 5.593 -2.821 -12.185 1.00 0.00 H new ATOM 0 HB2 GLN A 28 6.385 -2.914 -14.527 1.00 0.00 H new ATOM 0 HB3 GLN A 28 4.807 -2.415 -15.105 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.315 -0.523 -15.172 1.00 0.00 H new ATOM 0 HG3 GLN A 28 5.074 -0.227 -13.972 1.00 0.00 H new ATOM 0 HE21 GLN A 28 6.413 1.245 -12.797 1.00 0.00 H new ATOM 0 HE22 GLN A 28 7.820 0.681 -11.889 1.00 0.00 H new ATOM 406 N GLU A 29 2.471 -2.447 -13.007 1.00 0.00 N ATOM 407 CA GLU A 29 1.223 -1.727 -12.719 1.00 0.00 C ATOM 408 C GLU A 29 0.233 -2.634 -11.968 1.00 0.00 C ATOM 409 O GLU A 29 -0.052 -3.751 -12.409 1.00 0.00 O ATOM 410 CB GLU A 29 0.594 -1.233 -14.029 1.00 0.00 C ATOM 411 CG GLU A 29 1.444 -0.224 -14.794 1.00 0.00 C ATOM 412 CD GLU A 29 0.878 0.090 -16.172 1.00 0.00 C ATOM 413 OE1 GLU A 29 0.052 1.022 -16.295 1.00 0.00 O ATOM 414 OE2 GLU A 29 1.246 -0.615 -17.142 1.00 0.00 O ATOM 0 H GLU A 29 2.342 -3.304 -13.545 1.00 0.00 H new ATOM 0 HA GLU A 29 1.453 -0.871 -12.085 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.403 -2.092 -14.673 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.372 -0.781 -13.806 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.516 0.697 -14.216 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.456 -0.614 -14.901 1.00 0.00 H new ATOM 421 N MET A 30 -0.291 -2.155 -10.842 1.00 0.00 N ATOM 422 CA MET A 30 -1.187 -2.967 -10.000 1.00 0.00 C ATOM 423 C MET A 30 -2.621 -2.400 -9.961 1.00 0.00 C ATOM 424 O MET A 30 -2.823 -1.196 -10.094 1.00 0.00 O ATOM 425 CB MET A 30 -0.633 -3.037 -8.576 1.00 0.00 C ATOM 426 CG MET A 30 -1.371 -4.020 -7.679 1.00 0.00 C ATOM 427 SD MET A 30 -0.534 -5.609 -7.552 1.00 0.00 S ATOM 428 CE MET A 30 0.924 -5.142 -6.623 1.00 0.00 C ATOM 0 H MET A 30 -0.116 -1.215 -10.487 1.00 0.00 H new ATOM 0 HA MET A 30 -1.233 -3.963 -10.439 1.00 0.00 H new ATOM 0 HB2 MET A 30 0.419 -3.318 -8.619 1.00 0.00 H new ATOM 0 HB3 MET A 30 -0.680 -2.044 -8.128 1.00 0.00 H new ATOM 0 HG2 MET A 30 -1.476 -3.589 -6.683 1.00 0.00 H new ATOM 0 HG3 MET A 30 -2.378 -4.174 -8.067 1.00 0.00 H new ATOM 0 HE1 MET A 30 1.591 -6.000 -6.537 1.00 0.00 H new ATOM 0 HE2 MET A 30 1.440 -4.331 -7.138 1.00 0.00 H new ATOM 0 HE3 MET A 30 0.630 -4.810 -5.627 1.00 0.00 H new ATOM 438 N ASN A 31 -3.608 -3.273 -9.746 1.00 0.00 N ATOM 439 CA ASN A 31 -5.026 -2.866 -9.693 1.00 0.00 C ATOM 440 C ASN A 31 -5.527 -2.660 -8.247 1.00 0.00 C ATOM 441 O ASN A 31 -4.906 -3.119 -7.288 1.00 0.00 O ATOM 442 CB ASN A 31 -5.903 -3.910 -10.399 1.00 0.00 C ATOM 443 CG ASN A 31 -5.699 -5.318 -9.868 1.00 0.00 C ATOM 444 OD1 ASN A 31 -4.615 -5.685 -9.431 1.00 0.00 O ATOM 445 ND2 ASN A 31 -6.743 -6.120 -9.906 1.00 0.00 N ATOM 0 H ASN A 31 -3.457 -4.272 -9.605 1.00 0.00 H new ATOM 0 HA ASN A 31 -5.102 -1.908 -10.207 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -6.951 -3.633 -10.284 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -5.685 -3.896 -11.467 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -6.663 -7.078 -9.565 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -7.632 -5.783 -10.276 1.00 0.00 H new ATOM 452 N GLY A 32 -6.678 -1.989 -8.113 1.00 0.00 N ATOM 453 CA GLY A 32 -7.255 -1.707 -6.797 1.00 0.00 C ATOM 454 C GLY A 32 -7.593 -2.956 -5.988 1.00 0.00 C ATOM 455 O GLY A 32 -7.584 -2.928 -4.754 1.00 0.00 O ATOM 0 H GLY A 32 -7.224 -1.634 -8.897 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -6.554 -1.096 -6.228 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.161 -1.115 -6.928 1.00 0.00 H new ATOM 459 N LYS A 33 -7.909 -4.051 -6.680 1.00 0.00 N ATOM 460 CA LYS A 33 -8.170 -5.343 -6.026 1.00 0.00 C ATOM 461 C LYS A 33 -7.037 -5.741 -5.064 1.00 0.00 C ATOM 462 O LYS A 33 -7.288 -6.176 -3.935 1.00 0.00 O ATOM 463 CB LYS A 33 -8.367 -6.442 -7.089 1.00 0.00 C ATOM 464 CG LYS A 33 -9.812 -6.611 -7.560 1.00 0.00 C ATOM 465 CD LYS A 33 -10.732 -7.089 -6.436 1.00 0.00 C ATOM 466 CE LYS A 33 -10.277 -8.424 -5.852 1.00 0.00 C ATOM 467 NZ LYS A 33 -10.202 -9.494 -6.886 1.00 0.00 N ATOM 0 H LYS A 33 -7.992 -4.073 -7.696 1.00 0.00 H new ATOM 0 HA LYS A 33 -9.080 -5.235 -5.437 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -7.741 -6.213 -7.951 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.016 -7.391 -6.683 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -10.179 -5.661 -7.949 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -9.843 -7.326 -8.382 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -10.759 -6.338 -5.646 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -11.748 -7.188 -6.817 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -9.299 -8.301 -5.387 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -10.967 -8.729 -5.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -10.022 -10.409 -6.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -11.102 -9.539 -7.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -9.430 -9.282 -7.549 1.00 0.00 H new ATOM 481 N ASN A 34 -5.796 -5.584 -5.513 1.00 0.00 N ATOM 482 CA ASN A 34 -4.631 -5.943 -4.701 1.00 0.00 C ATOM 483 C ASN A 34 -4.403 -4.941 -3.555 1.00 0.00 C ATOM 484 O ASN A 34 -3.824 -5.293 -2.535 1.00 0.00 O ATOM 485 CB ASN A 34 -3.383 -6.053 -5.589 1.00 0.00 C ATOM 486 CG ASN A 34 -3.487 -7.201 -6.584 1.00 0.00 C ATOM 487 OD1 ASN A 34 -4.578 -7.620 -6.960 1.00 0.00 O ATOM 488 ND2 ASN A 34 -2.356 -7.713 -7.027 1.00 0.00 N ATOM 0 H ASN A 34 -5.568 -5.211 -6.434 1.00 0.00 H new ATOM 0 HA ASN A 34 -4.826 -6.913 -4.244 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -3.240 -5.117 -6.129 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -2.504 -6.197 -4.961 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -2.372 -8.479 -7.701 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -1.465 -7.344 -6.696 1.00 0.00 H new ATOM 495 N TRP A 35 -4.861 -3.701 -3.722 1.00 0.00 N ATOM 496 CA TRP A 35 -4.785 -2.697 -2.648 1.00 0.00 C ATOM 497 C TRP A 35 -5.696 -3.079 -1.472 1.00 0.00 C ATOM 498 O TRP A 35 -5.293 -3.012 -0.306 1.00 0.00 O ATOM 499 CB TRP A 35 -5.153 -1.306 -3.192 1.00 0.00 C ATOM 500 CG TRP A 35 -5.256 -0.239 -2.135 1.00 0.00 C ATOM 501 CD1 TRP A 35 -6.331 0.569 -1.895 1.00 0.00 C ATOM 502 CD2 TRP A 35 -4.257 0.134 -1.174 1.00 0.00 C ATOM 503 NE1 TRP A 35 -6.056 1.425 -0.859 1.00 0.00 N ATOM 504 CE2 TRP A 35 -4.791 1.177 -0.398 1.00 0.00 C ATOM 505 CE3 TRP A 35 -2.960 -0.309 -0.899 1.00 0.00 C ATOM 506 CZ2 TRP A 35 -4.078 1.781 0.634 1.00 0.00 C ATOM 507 CZ3 TRP A 35 -2.251 0.289 0.126 1.00 0.00 C ATOM 508 CH2 TRP A 35 -2.811 1.323 0.882 1.00 0.00 C ATOM 0 H TRP A 35 -5.288 -3.363 -4.585 1.00 0.00 H new ATOM 0 HA TRP A 35 -3.760 -2.666 -2.280 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -4.405 -1.005 -3.925 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -6.105 -1.374 -3.718 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -7.262 0.538 -2.441 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -6.692 2.133 -0.491 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -2.519 -1.106 -1.479 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -4.508 2.581 1.218 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -1.249 -0.048 0.346 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -2.233 1.770 1.678 1.00 0.00 H new ATOM 519 N ALA A 36 -6.921 -3.496 -1.785 1.00 0.00 N ATOM 520 CA ALA A 36 -7.853 -3.986 -0.764 1.00 0.00 C ATOM 521 C ALA A 36 -7.287 -5.226 -0.053 1.00 0.00 C ATOM 522 O ALA A 36 -7.279 -5.310 1.182 1.00 0.00 O ATOM 523 CB ALA A 36 -9.209 -4.298 -1.391 1.00 0.00 C ATOM 0 H ALA A 36 -7.294 -3.506 -2.734 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.986 -3.202 -0.018 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -9.891 -4.661 -0.622 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -9.618 -3.394 -1.842 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -9.088 -5.063 -2.158 1.00 0.00 H new ATOM 529 N LYS A 37 -6.797 -6.180 -0.845 1.00 0.00 N ATOM 530 CA LYS A 37 -6.170 -7.387 -0.314 1.00 0.00 C ATOM 531 C LYS A 37 -4.891 -7.063 0.474 1.00 0.00 C ATOM 532 O LYS A 37 -4.564 -7.744 1.440 1.00 0.00 O ATOM 533 CB LYS A 37 -5.844 -8.346 -1.462 1.00 0.00 C ATOM 534 CG LYS A 37 -7.072 -8.961 -2.130 1.00 0.00 C ATOM 535 CD LYS A 37 -6.688 -9.935 -3.243 1.00 0.00 C ATOM 536 CE LYS A 37 -5.780 -11.052 -2.739 1.00 0.00 C ATOM 537 NZ LYS A 37 -6.382 -11.794 -1.599 1.00 0.00 N ATOM 0 H LYS A 37 -6.824 -6.138 -1.864 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.874 -7.857 0.373 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -5.264 -7.811 -2.214 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -5.211 -9.148 -1.082 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -7.669 -9.482 -1.382 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -7.697 -8.168 -2.541 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -7.591 -10.368 -3.673 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -6.184 -9.391 -4.042 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -5.574 -11.746 -3.554 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -4.824 -10.629 -2.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -5.806 -12.634 -1.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.415 -11.178 -0.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -7.347 -12.090 -1.849 1.00 0.00 H new ATOM 551 N LEU A 38 -4.183 -6.020 0.048 1.00 0.00 N ATOM 552 CA LEU A 38 -2.951 -5.578 0.711 1.00 0.00 C ATOM 553 C LEU A 38 -3.231 -5.239 2.182 1.00 0.00 C ATOM 554 O LEU A 38 -2.602 -5.780 3.093 1.00 0.00 O ATOM 555 CB LEU A 38 -2.389 -4.345 -0.026 1.00 0.00 C ATOM 556 CG LEU A 38 -0.875 -4.092 0.096 1.00 0.00 C ATOM 557 CD1 LEU A 38 -0.484 -2.877 -0.730 1.00 0.00 C ATOM 558 CD2 LEU A 38 -0.441 -3.909 1.549 1.00 0.00 C ATOM 0 H LEU A 38 -4.442 -5.457 -0.762 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.216 -6.382 0.679 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.633 -4.442 -1.084 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.911 -3.462 0.342 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.359 -4.972 -0.288 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.588 -2.705 -0.638 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.735 -3.052 -1.776 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.024 -2.002 -0.368 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.634 -3.733 1.588 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.964 -3.056 1.980 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.683 -4.808 2.117 1.00 0.00 H new ATOM 570 N CYS A 39 -4.192 -4.345 2.398 1.00 0.00 N ATOM 571 CA CYS A 39 -4.563 -3.912 3.749 1.00 0.00 C ATOM 572 C CYS A 39 -5.018 -5.098 4.617 1.00 0.00 C ATOM 573 O CYS A 39 -4.617 -5.223 5.778 1.00 0.00 O ATOM 574 CB CYS A 39 -5.674 -2.858 3.678 1.00 0.00 C ATOM 575 SG CYS A 39 -6.119 -2.139 5.277 1.00 0.00 S ATOM 0 H CYS A 39 -4.732 -3.903 1.654 1.00 0.00 H new ATOM 0 HA CYS A 39 -3.679 -3.476 4.214 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -5.358 -2.058 3.008 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -6.562 -3.311 3.237 1.00 0.00 H new ATOM 0 HG CYS A 39 -6.529 -0.917 5.105 1.00 0.00 H new ATOM 581 N LYS A 40 -5.842 -5.977 4.043 1.00 0.00 N ATOM 582 CA LYS A 40 -6.347 -7.155 4.766 1.00 0.00 C ATOM 583 C LYS A 40 -5.215 -8.151 5.087 1.00 0.00 C ATOM 584 O LYS A 40 -5.152 -8.703 6.185 1.00 0.00 O ATOM 585 CB LYS A 40 -7.450 -7.847 3.946 1.00 0.00 C ATOM 586 CG LYS A 40 -8.140 -8.993 4.689 1.00 0.00 C ATOM 587 CD LYS A 40 -9.312 -9.574 3.898 1.00 0.00 C ATOM 588 CE LYS A 40 -8.860 -10.277 2.622 1.00 0.00 C ATOM 589 NZ LYS A 40 -7.986 -11.450 2.902 1.00 0.00 N ATOM 0 H LYS A 40 -6.175 -5.899 3.082 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.765 -6.813 5.712 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.198 -7.107 3.662 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -7.017 -8.233 3.023 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.415 -9.781 4.891 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.498 -8.634 5.654 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.856 -10.280 4.525 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -10.007 -8.774 3.642 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.735 -10.605 2.061 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.323 -9.569 1.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -7.884 -12.021 2.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -7.050 -11.119 3.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -8.413 -12.030 3.652 1.00 0.00 H new ATOM 603 N ASP A 41 -4.320 -8.360 4.124 1.00 0.00 N ATOM 604 CA ASP A 41 -3.186 -9.275 4.286 1.00 0.00 C ATOM 605 C ASP A 41 -2.248 -8.791 5.407 1.00 0.00 C ATOM 606 O ASP A 41 -1.856 -9.560 6.293 1.00 0.00 O ATOM 607 CB ASP A 41 -2.418 -9.380 2.958 1.00 0.00 C ATOM 608 CG ASP A 41 -1.389 -10.499 2.947 1.00 0.00 C ATOM 609 OD1 ASP A 41 -0.354 -10.374 3.629 1.00 0.00 O ATOM 610 OD2 ASP A 41 -1.618 -11.513 2.253 1.00 0.00 O ATOM 0 H ASP A 41 -4.357 -7.904 3.213 1.00 0.00 H new ATOM 0 HA ASP A 41 -3.565 -10.258 4.564 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -3.128 -9.541 2.147 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.917 -8.433 2.760 1.00 0.00 H new ATOM 615 N CYS A 42 -1.894 -7.507 5.359 1.00 0.00 N ATOM 616 CA CYS A 42 -1.017 -6.900 6.367 1.00 0.00 C ATOM 617 C CYS A 42 -1.797 -6.492 7.626 1.00 0.00 C ATOM 618 O CYS A 42 -1.210 -6.020 8.603 1.00 0.00 O ATOM 619 CB CYS A 42 -0.292 -5.687 5.775 1.00 0.00 C ATOM 620 SG CYS A 42 0.742 -6.085 4.343 1.00 0.00 S ATOM 0 H CYS A 42 -2.201 -6.863 4.631 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.282 -7.649 6.662 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -1.030 -4.940 5.483 1.00 0.00 H new ATOM 0 HB3 CYS A 42 0.330 -5.234 6.547 1.00 0.00 H new ATOM 0 HG CYS A 42 0.003 -6.593 3.402 1.00 0.00 H new ATOM 626 N LYS A 43 -3.122 -6.678 7.593 1.00 0.00 N ATOM 627 CA LYS A 43 -3.991 -6.418 8.751 1.00 0.00 C ATOM 628 C LYS A 43 -3.916 -4.951 9.211 1.00 0.00 C ATOM 629 O LYS A 43 -4.126 -4.638 10.386 1.00 0.00 O ATOM 630 CB LYS A 43 -3.622 -7.379 9.885 1.00 0.00 C ATOM 631 CG LYS A 43 -3.685 -8.843 9.456 1.00 0.00 C ATOM 632 CD LYS A 43 -3.087 -9.782 10.495 1.00 0.00 C ATOM 633 CE LYS A 43 -3.893 -9.797 11.787 1.00 0.00 C ATOM 634 NZ LYS A 43 -3.304 -10.715 12.797 1.00 0.00 N ATOM 0 H LYS A 43 -3.621 -7.011 6.768 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.025 -6.593 8.455 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.616 -7.150 10.238 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.298 -7.221 10.725 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.723 -9.121 9.275 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.153 -8.965 8.512 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.040 -10.791 10.086 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.063 -9.478 10.711 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.940 -8.788 12.197 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.917 -10.102 11.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.882 -10.697 13.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.282 -11.682 12.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.336 -10.409 13.021 1.00 0.00 H new ATOM 648 N VAL A 44 -3.622 -4.059 8.267 1.00 0.00 N ATOM 649 CA VAL A 44 -3.627 -2.615 8.529 1.00 0.00 C ATOM 650 C VAL A 44 -5.053 -2.119 8.807 1.00 0.00 C ATOM 651 O VAL A 44 -5.259 -1.193 9.599 1.00 0.00 O ATOM 652 CB VAL A 44 -3.029 -1.823 7.335 1.00 0.00 C ATOM 653 CG1 VAL A 44 -2.970 -0.324 7.642 1.00 0.00 C ATOM 654 CG2 VAL A 44 -1.645 -2.357 6.972 1.00 0.00 C ATOM 0 H VAL A 44 -3.376 -4.309 7.309 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.007 -2.442 9.409 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.686 -1.963 6.476 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.547 0.206 6.788 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.976 0.047 7.837 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.345 -0.157 8.519 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.244 -1.788 6.133 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.980 -2.256 7.830 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.722 -3.408 6.694 1.00 0.00 H new ATOM 664 N ALA A 45 -6.035 -2.743 8.148 1.00 0.00 N ATOM 665 CA ALA A 45 -7.449 -2.438 8.385 1.00 0.00 C ATOM 666 C ALA A 45 -7.846 -2.751 9.835 1.00 0.00 C ATOM 667 O ALA A 45 -8.301 -3.852 10.153 1.00 0.00 O ATOM 668 CB ALA A 45 -8.337 -3.193 7.400 1.00 0.00 C ATOM 0 H ALA A 45 -5.875 -3.464 7.445 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.595 -1.370 8.223 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -9.382 -2.952 7.594 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -8.080 -2.902 6.382 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.184 -4.265 7.520 1.00 0.00 H new ATOM 674 N ASP A 46 -7.635 -1.772 10.704 1.00 0.00 N ATOM 675 CA ASP A 46 -7.916 -1.895 12.134 1.00 0.00 C ATOM 676 C ASP A 46 -9.416 -2.107 12.424 1.00 0.00 C ATOM 677 O ASP A 46 -9.789 -2.991 13.199 1.00 0.00 O ATOM 678 CB ASP A 46 -7.401 -0.634 12.829 1.00 0.00 C ATOM 679 CG ASP A 46 -7.864 -0.502 14.264 1.00 0.00 C ATOM 680 OD1 ASP A 46 -7.219 -1.083 15.164 1.00 0.00 O ATOM 681 OD2 ASP A 46 -8.856 0.219 14.498 1.00 0.00 O ATOM 0 H ASP A 46 -7.261 -0.861 10.437 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.407 -2.779 12.518 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -6.311 -0.636 12.806 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -7.730 0.240 12.268 1.00 0.00 H new ATOM 686 N GLY A 47 -10.269 -1.297 11.803 1.00 0.00 N ATOM 687 CA GLY A 47 -11.710 -1.394 12.036 1.00 0.00 C ATOM 688 C GLY A 47 -12.337 -0.076 12.474 1.00 0.00 C ATOM 689 O GLY A 47 -13.494 0.205 12.156 1.00 0.00 O ATOM 0 H GLY A 47 -9.993 -0.572 11.141 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.197 -1.735 11.122 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -11.898 -2.150 12.799 1.00 0.00 H new ATOM 693 N LYS A 48 -11.584 0.725 13.224 1.00 0.00 N ATOM 694 CA LYS A 48 -12.066 2.045 13.665 1.00 0.00 C ATOM 695 C LYS A 48 -11.056 3.165 13.360 1.00 0.00 C ATOM 696 O LYS A 48 -11.445 4.317 13.164 1.00 0.00 O ATOM 697 CB LYS A 48 -12.431 2.008 15.159 1.00 0.00 C ATOM 698 CG LYS A 48 -11.387 1.333 16.045 1.00 0.00 C ATOM 699 CD LYS A 48 -11.952 0.999 17.422 1.00 0.00 C ATOM 700 CE LYS A 48 -10.987 0.161 18.251 1.00 0.00 C ATOM 701 NZ LYS A 48 -11.611 -0.291 19.520 1.00 0.00 N ATOM 0 H LYS A 48 -10.643 0.491 13.541 1.00 0.00 H new ATOM 0 HA LYS A 48 -12.965 2.277 13.094 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -12.582 3.029 15.509 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -13.381 1.487 15.276 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.036 0.420 15.564 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.523 1.988 16.155 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -12.178 1.923 17.954 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -12.892 0.460 17.306 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.667 -0.706 17.673 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.093 0.745 18.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.927 -0.859 20.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -11.894 0.537 20.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -12.450 -0.868 19.308 1.00 0.00 H new ATOM 715 N SER A 49 -9.763 2.837 13.324 1.00 0.00 N ATOM 716 CA SER A 49 -8.745 3.798 12.859 1.00 0.00 C ATOM 717 C SER A 49 -8.562 3.689 11.339 1.00 0.00 C ATOM 718 O SER A 49 -8.399 4.692 10.646 1.00 0.00 O ATOM 719 CB SER A 49 -7.399 3.577 13.568 1.00 0.00 C ATOM 720 OG SER A 49 -6.862 2.299 13.281 1.00 0.00 O ATOM 0 H SER A 49 -9.394 1.929 13.605 1.00 0.00 H new ATOM 0 HA SER A 49 -9.097 4.799 13.106 1.00 0.00 H new ATOM 0 HB2 SER A 49 -6.693 4.347 13.257 1.00 0.00 H new ATOM 0 HB3 SER A 49 -7.533 3.683 14.645 1.00 0.00 H new ATOM 0 HG SER A 49 -5.990 2.401 12.846 1.00 0.00 H new ATOM 726 N VAL A 50 -8.582 2.458 10.831 1.00 0.00 N ATOM 727 CA VAL A 50 -8.549 2.201 9.384 1.00 0.00 C ATOM 728 C VAL A 50 -9.618 1.171 8.989 1.00 0.00 C ATOM 729 O VAL A 50 -9.571 0.021 9.424 1.00 0.00 O ATOM 730 CB VAL A 50 -7.161 1.684 8.920 1.00 0.00 C ATOM 731 CG1 VAL A 50 -7.180 1.316 7.436 1.00 0.00 C ATOM 732 CG2 VAL A 50 -6.074 2.718 9.200 1.00 0.00 C ATOM 0 H VAL A 50 -8.621 1.614 11.402 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.751 3.153 8.892 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.934 0.784 9.491 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.195 0.957 7.138 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -7.919 0.533 7.265 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.440 2.195 6.846 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.111 2.333 8.866 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.302 3.639 8.664 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.032 2.921 10.270 1.00 0.00 H new ATOM 742 N THR A 51 -10.579 1.590 8.172 1.00 0.00 N ATOM 743 CA THR A 51 -11.650 0.699 7.698 1.00 0.00 C ATOM 744 C THR A 51 -11.518 0.429 6.194 1.00 0.00 C ATOM 745 O THR A 51 -10.656 1.003 5.520 1.00 0.00 O ATOM 746 CB THR A 51 -13.051 1.309 7.943 1.00 0.00 C ATOM 747 OG1 THR A 51 -13.264 2.410 7.048 1.00 0.00 O ATOM 748 CG2 THR A 51 -13.205 1.790 9.384 1.00 0.00 C ATOM 0 H THR A 51 -10.644 2.545 7.819 1.00 0.00 H new ATOM 0 HA THR A 51 -11.547 -0.228 8.261 1.00 0.00 H new ATOM 0 HB THR A 51 -13.792 0.531 7.760 1.00 0.00 H new ATOM 0 HG1 THR A 51 -12.574 3.090 7.196 1.00 0.00 H new ATOM 0 HG21 THR A 51 -14.200 2.213 9.522 1.00 0.00 H new ATOM 0 HG22 THR A 51 -13.070 0.949 10.065 1.00 0.00 H new ATOM 0 HG23 THR A 51 -12.455 2.552 9.595 1.00 0.00 H new ATOM 756 N GLY A 52 -12.383 -0.438 5.666 1.00 0.00 N ATOM 757 CA GLY A 52 -12.449 -0.647 4.225 1.00 0.00 C ATOM 758 C GLY A 52 -12.770 0.641 3.472 1.00 0.00 C ATOM 759 O GLY A 52 -12.368 0.822 2.317 1.00 0.00 O ATOM 0 H GLY A 52 -13.039 -0.999 6.209 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -11.497 -1.045 3.873 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -13.209 -1.396 4.002 1.00 0.00 H new ATOM 763 N THR A 53 -13.501 1.539 4.134 1.00 0.00 N ATOM 764 CA THR A 53 -13.788 2.862 3.582 1.00 0.00 C ATOM 765 C THR A 53 -12.486 3.640 3.360 1.00 0.00 C ATOM 766 O THR A 53 -12.182 4.039 2.237 1.00 0.00 O ATOM 767 CB THR A 53 -14.721 3.684 4.507 1.00 0.00 C ATOM 768 OG1 THR A 53 -15.921 2.944 4.785 1.00 0.00 O ATOM 769 CG2 THR A 53 -15.088 5.021 3.870 1.00 0.00 C ATOM 0 H THR A 53 -13.906 1.373 5.055 1.00 0.00 H new ATOM 0 HA THR A 53 -14.297 2.709 2.630 1.00 0.00 H new ATOM 0 HB THR A 53 -14.185 3.875 5.436 1.00 0.00 H new ATOM 0 HG1 THR A 53 -16.502 3.472 5.371 1.00 0.00 H new ATOM 0 HG21 THR A 53 -15.743 5.576 4.541 1.00 0.00 H new ATOM 0 HG22 THR A 53 -14.182 5.598 3.688 1.00 0.00 H new ATOM 0 HG23 THR A 53 -15.602 4.845 2.925 1.00 0.00 H new ATOM 777 N ASP A 54 -11.710 3.822 4.437 1.00 0.00 N ATOM 778 CA ASP A 54 -10.414 4.517 4.365 1.00 0.00 C ATOM 779 C ASP A 54 -9.547 3.981 3.214 1.00 0.00 C ATOM 780 O ASP A 54 -8.918 4.749 2.483 1.00 0.00 O ATOM 781 CB ASP A 54 -9.654 4.365 5.687 1.00 0.00 C ATOM 782 CG ASP A 54 -10.384 4.999 6.856 1.00 0.00 C ATOM 783 OD1 ASP A 54 -11.239 4.323 7.463 1.00 0.00 O ATOM 784 OD2 ASP A 54 -10.099 6.174 7.174 1.00 0.00 O ATOM 0 H ASP A 54 -11.957 3.497 5.372 1.00 0.00 H new ATOM 0 HA ASP A 54 -10.620 5.571 4.178 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -9.498 3.306 5.892 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -8.668 4.820 5.589 1.00 0.00 H new ATOM 789 N VAL A 55 -9.532 2.658 3.058 1.00 0.00 N ATOM 790 CA VAL A 55 -8.800 2.007 1.968 1.00 0.00 C ATOM 791 C VAL A 55 -9.244 2.534 0.593 1.00 0.00 C ATOM 792 O VAL A 55 -8.411 2.859 -0.258 1.00 0.00 O ATOM 793 CB VAL A 55 -8.985 0.468 2.023 1.00 0.00 C ATOM 794 CG1 VAL A 55 -8.312 -0.223 0.838 1.00 0.00 C ATOM 795 CG2 VAL A 55 -8.447 -0.079 3.343 1.00 0.00 C ATOM 0 H VAL A 55 -10.021 2.011 3.676 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.745 2.246 2.101 1.00 0.00 H new ATOM 0 HB VAL A 55 -10.052 0.255 1.960 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -8.463 -1.300 0.911 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.748 0.142 -0.092 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.244 -0.005 0.848 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.582 -1.160 3.371 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.386 0.157 3.429 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.988 0.376 4.173 1.00 0.00 H new ATOM 805 N ASP A 56 -10.556 2.643 0.389 1.00 0.00 N ATOM 806 CA ASP A 56 -11.096 3.122 -0.886 1.00 0.00 C ATOM 807 C ASP A 56 -10.852 4.628 -1.064 1.00 0.00 C ATOM 808 O ASP A 56 -10.652 5.109 -2.184 1.00 0.00 O ATOM 809 CB ASP A 56 -12.596 2.816 -0.979 1.00 0.00 C ATOM 810 CG ASP A 56 -12.895 1.328 -1.092 1.00 0.00 C ATOM 811 OD1 ASP A 56 -11.958 0.506 -1.014 1.00 0.00 O ATOM 812 OD2 ASP A 56 -14.078 0.974 -1.271 1.00 0.00 O ATOM 0 H ASP A 56 -11.263 2.408 1.085 1.00 0.00 H new ATOM 0 HA ASP A 56 -10.575 2.598 -1.687 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -13.098 3.216 -0.098 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -13.013 3.331 -1.844 1.00 0.00 H new ATOM 817 N ILE A 57 -10.864 5.365 0.047 1.00 0.00 N ATOM 818 CA ILE A 57 -10.616 6.805 0.016 1.00 0.00 C ATOM 819 C ILE A 57 -9.172 7.098 -0.411 1.00 0.00 C ATOM 820 O ILE A 57 -8.941 7.829 -1.372 1.00 0.00 O ATOM 821 CB ILE A 57 -10.888 7.471 1.390 1.00 0.00 C ATOM 822 CG1 ILE A 57 -12.248 7.019 1.947 1.00 0.00 C ATOM 823 CG2 ILE A 57 -10.829 8.993 1.263 1.00 0.00 C ATOM 824 CD1 ILE A 57 -12.696 7.786 3.177 1.00 0.00 C ATOM 0 H ILE A 57 -11.043 4.988 0.978 1.00 0.00 H new ATOM 0 HA ILE A 57 -11.307 7.228 -0.713 1.00 0.00 H new ATOM 0 HB ILE A 57 -10.114 7.157 2.090 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -13.003 7.128 1.168 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -12.194 5.958 2.192 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -11.022 9.447 2.235 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -9.841 9.291 0.913 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -11.582 9.328 0.550 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -13.663 7.408 3.509 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -11.963 7.657 3.973 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -12.784 8.845 2.933 1.00 0.00 H new ATOM 836 N VAL A 58 -8.207 6.504 0.293 1.00 0.00 N ATOM 837 CA VAL A 58 -6.784 6.696 -0.017 1.00 0.00 C ATOM 838 C VAL A 58 -6.474 6.370 -1.487 1.00 0.00 C ATOM 839 O VAL A 58 -5.811 7.146 -2.180 1.00 0.00 O ATOM 840 CB VAL A 58 -5.881 5.828 0.891 1.00 0.00 C ATOM 841 CG1 VAL A 58 -4.414 5.989 0.495 1.00 0.00 C ATOM 842 CG2 VAL A 58 -6.088 6.190 2.362 1.00 0.00 C ATOM 0 H VAL A 58 -8.383 5.884 1.084 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.570 7.749 0.167 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.160 4.783 0.757 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.792 5.372 1.144 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.280 5.676 -0.541 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.122 7.034 0.599 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.444 5.568 2.984 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.839 7.240 2.517 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -7.129 6.020 2.635 1.00 0.00 H new ATOM 852 N PHE A 59 -6.971 5.227 -1.962 1.00 0.00 N ATOM 853 CA PHE A 59 -6.774 4.825 -3.361 1.00 0.00 C ATOM 854 C PHE A 59 -7.312 5.904 -4.316 1.00 0.00 C ATOM 855 O PHE A 59 -6.711 6.186 -5.348 1.00 0.00 O ATOM 856 CB PHE A 59 -7.462 3.477 -3.635 1.00 0.00 C ATOM 857 CG PHE A 59 -7.117 2.872 -4.979 1.00 0.00 C ATOM 858 CD1 PHE A 59 -5.944 2.144 -5.147 1.00 0.00 C ATOM 859 CD2 PHE A 59 -7.960 3.028 -6.072 1.00 0.00 C ATOM 860 CE1 PHE A 59 -5.622 1.587 -6.371 1.00 0.00 C ATOM 861 CE2 PHE A 59 -7.641 2.472 -7.298 1.00 0.00 C ATOM 862 CZ PHE A 59 -6.471 1.750 -7.448 1.00 0.00 C ATOM 0 H PHE A 59 -7.510 4.565 -1.405 1.00 0.00 H new ATOM 0 HA PHE A 59 -5.704 4.712 -3.537 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -7.186 2.773 -2.850 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -8.542 3.613 -3.576 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -5.275 2.012 -4.310 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -8.876 3.590 -5.963 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -4.707 1.025 -6.485 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -8.306 2.602 -8.139 1.00 0.00 H new ATOM 0 HZ PHE A 59 -6.222 1.315 -8.405 1.00 0.00 H new ATOM 872 N SER A 60 -8.439 6.512 -3.948 1.00 0.00 N ATOM 873 CA SER A 60 -9.049 7.581 -4.755 1.00 0.00 C ATOM 874 C SER A 60 -8.379 8.946 -4.508 1.00 0.00 C ATOM 875 O SER A 60 -8.523 9.867 -5.309 1.00 0.00 O ATOM 876 CB SER A 60 -10.552 7.689 -4.453 1.00 0.00 C ATOM 877 OG SER A 60 -11.222 6.454 -4.673 1.00 0.00 O ATOM 0 H SER A 60 -8.953 6.286 -3.096 1.00 0.00 H new ATOM 0 HA SER A 60 -8.900 7.315 -5.802 1.00 0.00 H new ATOM 0 HB2 SER A 60 -10.694 8.001 -3.418 1.00 0.00 H new ATOM 0 HB3 SER A 60 -10.995 8.461 -5.082 1.00 0.00 H new ATOM 0 HG SER A 60 -11.110 5.877 -3.889 1.00 0.00 H new ATOM 883 N LYS A 61 -7.662 9.078 -3.390 1.00 0.00 N ATOM 884 CA LYS A 61 -6.958 10.330 -3.056 1.00 0.00 C ATOM 885 C LYS A 61 -5.712 10.540 -3.932 1.00 0.00 C ATOM 886 O LYS A 61 -5.456 11.650 -4.406 1.00 0.00 O ATOM 887 CB LYS A 61 -6.552 10.353 -1.569 1.00 0.00 C ATOM 888 CG LYS A 61 -7.711 10.595 -0.602 1.00 0.00 C ATOM 889 CD LYS A 61 -8.384 11.943 -0.851 1.00 0.00 C ATOM 890 CE LYS A 61 -9.472 12.237 0.177 1.00 0.00 C ATOM 891 NZ LYS A 61 -8.921 12.385 1.553 1.00 0.00 N ATOM 0 H LYS A 61 -7.550 8.337 -2.698 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.655 11.145 -3.253 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.079 9.403 -1.319 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.803 11.131 -1.421 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -8.446 9.797 -0.708 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.343 10.556 0.423 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.634 12.734 -0.821 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.818 11.952 -1.851 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -9.996 13.151 -0.103 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.207 11.432 0.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.646 12.796 2.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.641 11.452 1.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.091 13.011 1.529 1.00 0.00 H new ATOM 905 N VAL A 62 -4.931 9.481 -4.126 1.00 0.00 N ATOM 906 CA VAL A 62 -3.716 9.561 -4.943 1.00 0.00 C ATOM 907 C VAL A 62 -4.035 9.740 -6.441 1.00 0.00 C ATOM 908 O VAL A 62 -3.427 10.575 -7.117 1.00 0.00 O ATOM 909 CB VAL A 62 -2.807 8.316 -4.747 1.00 0.00 C ATOM 910 CG1 VAL A 62 -2.105 8.353 -3.392 1.00 0.00 C ATOM 911 CG2 VAL A 62 -3.608 7.023 -4.888 1.00 0.00 C ATOM 0 H VAL A 62 -5.114 8.558 -3.731 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.178 10.444 -4.599 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.048 8.341 -5.529 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.476 7.469 -3.284 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.487 9.248 -3.327 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.850 8.368 -2.597 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.947 6.168 -4.746 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.397 7.000 -4.136 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.052 6.977 -5.882 1.00 0.00 H new ATOM 921 N LYS A 63 -4.992 8.967 -6.954 1.00 0.00 N ATOM 922 CA LYS A 63 -5.339 9.000 -8.384 1.00 0.00 C ATOM 923 C LYS A 63 -6.275 10.172 -8.737 1.00 0.00 C ATOM 924 O LYS A 63 -6.852 10.817 -7.862 1.00 0.00 O ATOM 925 CB LYS A 63 -6.002 7.676 -8.795 1.00 0.00 C ATOM 926 CG LYS A 63 -7.292 7.381 -8.034 1.00 0.00 C ATOM 927 CD LYS A 63 -7.916 6.045 -8.433 1.00 0.00 C ATOM 928 CE LYS A 63 -8.493 6.082 -9.842 1.00 0.00 C ATOM 929 NZ LYS A 63 -9.142 4.795 -10.206 1.00 0.00 N ATOM 0 H LYS A 63 -5.544 8.308 -6.404 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.409 9.143 -8.934 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.217 7.702 -9.863 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.298 6.860 -8.632 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.085 7.376 -6.964 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -8.009 8.182 -8.217 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.162 5.260 -8.371 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.704 5.787 -7.725 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.221 6.890 -9.916 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.698 6.303 -10.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.670 4.392 -11.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.065 4.130 -9.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.146 4.961 -10.422 1.00 0.00 H new ATOM 943 N GLY A 64 -6.406 10.438 -10.037 1.00 0.00 N ATOM 944 CA GLY A 64 -7.357 11.435 -10.520 1.00 0.00 C ATOM 945 C GLY A 64 -8.599 10.795 -11.138 1.00 0.00 C ATOM 946 O GLY A 64 -9.553 10.461 -10.432 1.00 0.00 O ATOM 0 H GLY A 64 -5.867 9.978 -10.771 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -7.656 12.080 -9.694 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -6.871 12.070 -11.261 1.00 0.00 H new ATOM 950 N LYS A 65 -8.591 10.618 -12.459 1.00 0.00 N ATOM 951 CA LYS A 65 -9.698 9.950 -13.165 1.00 0.00 C ATOM 952 C LYS A 65 -9.189 8.874 -14.138 1.00 0.00 C ATOM 953 O LYS A 65 -9.561 7.702 -14.036 1.00 0.00 O ATOM 954 CB LYS A 65 -10.552 10.973 -13.930 1.00 0.00 C ATOM 955 CG LYS A 65 -11.436 11.837 -13.035 1.00 0.00 C ATOM 956 CD LYS A 65 -12.296 12.796 -13.857 1.00 0.00 C ATOM 957 CE LYS A 65 -13.296 13.551 -12.989 1.00 0.00 C ATOM 958 NZ LYS A 65 -14.133 14.482 -13.791 1.00 0.00 N ATOM 0 H LYS A 65 -7.832 10.926 -13.067 1.00 0.00 H new ATOM 0 HA LYS A 65 -10.311 9.462 -12.407 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -9.893 11.622 -14.507 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -11.183 10.443 -14.644 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -12.079 11.197 -12.430 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -10.812 12.406 -12.345 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -11.653 13.509 -14.373 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -12.831 12.236 -14.624 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -13.939 12.839 -12.472 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -12.761 14.112 -12.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -14.800 14.976 -13.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -13.522 15.178 -14.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -14.663 13.944 -14.506 1.00 0.00 H new ATOM 972 N SER A 66 -8.338 9.278 -15.078 1.00 0.00 N ATOM 973 CA SER A 66 -7.837 8.372 -16.127 1.00 0.00 C ATOM 974 C SER A 66 -6.739 7.432 -15.603 1.00 0.00 C ATOM 975 O SER A 66 -5.584 7.508 -16.029 1.00 0.00 O ATOM 976 CB SER A 66 -7.295 9.184 -17.314 1.00 0.00 C ATOM 977 OG SER A 66 -8.281 10.062 -17.837 1.00 0.00 O ATOM 0 H SER A 66 -7.975 10.229 -15.141 1.00 0.00 H new ATOM 0 HA SER A 66 -8.677 7.758 -16.451 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.426 9.759 -16.996 1.00 0.00 H new ATOM 0 HB3 SER A 66 -6.958 8.505 -18.097 1.00 0.00 H new ATOM 0 HG SER A 66 -7.905 10.565 -18.589 1.00 0.00 H new ATOM 983 N ALA A 67 -7.106 6.546 -14.678 1.00 0.00 N ATOM 984 CA ALA A 67 -6.160 5.584 -14.104 1.00 0.00 C ATOM 985 C ALA A 67 -6.884 4.400 -13.446 1.00 0.00 C ATOM 986 O ALA A 67 -7.562 4.557 -12.427 1.00 0.00 O ATOM 987 CB ALA A 67 -5.248 6.274 -13.089 1.00 0.00 C ATOM 0 H ALA A 67 -8.054 6.473 -14.308 1.00 0.00 H new ATOM 0 HA ALA A 67 -5.554 5.192 -14.921 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.552 5.546 -12.672 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -4.690 7.069 -13.583 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -5.852 6.699 -12.287 1.00 0.00 H new ATOM 993 N ARG A 68 -6.750 3.215 -14.038 1.00 0.00 N ATOM 994 CA ARG A 68 -7.316 1.992 -13.454 1.00 0.00 C ATOM 995 C ARG A 68 -6.282 1.279 -12.574 1.00 0.00 C ATOM 996 O ARG A 68 -6.638 0.559 -11.640 1.00 0.00 O ATOM 997 CB ARG A 68 -7.817 1.028 -14.545 1.00 0.00 C ATOM 998 CG ARG A 68 -9.068 1.500 -15.291 1.00 0.00 C ATOM 999 CD ARG A 68 -8.767 2.607 -16.296 1.00 0.00 C ATOM 1000 NE ARG A 68 -7.854 2.157 -17.348 1.00 0.00 N ATOM 1001 CZ ARG A 68 -8.089 2.267 -18.630 1.00 0.00 C ATOM 1002 NH1 ARG A 68 -9.212 2.757 -19.064 1.00 0.00 N ATOM 1003 NH2 ARG A 68 -7.203 1.857 -19.474 1.00 0.00 N ATOM 0 H ARG A 68 -6.257 3.072 -14.919 1.00 0.00 H new ATOM 0 HA ARG A 68 -8.165 2.291 -12.839 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.017 0.872 -15.268 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -8.026 0.061 -14.088 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -9.517 0.654 -15.811 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -9.803 1.858 -14.570 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -9.698 2.951 -16.746 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -8.330 3.460 -15.776 1.00 0.00 H new ATOM 0 HE ARG A 68 -6.974 1.728 -17.062 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -9.925 3.062 -18.402 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -9.380 2.836 -20.067 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -6.329 1.452 -19.139 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -7.377 1.938 -20.476 1.00 0.00 H new ATOM 1017 N VAL A 69 -5.001 1.479 -12.880 1.00 0.00 N ATOM 1018 CA VAL A 69 -3.912 0.850 -12.120 1.00 0.00 C ATOM 1019 C VAL A 69 -2.969 1.893 -11.496 1.00 0.00 C ATOM 1020 O VAL A 69 -3.096 3.097 -11.743 1.00 0.00 O ATOM 1021 CB VAL A 69 -3.103 -0.132 -13.001 1.00 0.00 C ATOM 1022 CG1 VAL A 69 -3.971 -1.322 -13.404 1.00 0.00 C ATOM 1023 CG2 VAL A 69 -2.547 0.578 -14.231 1.00 0.00 C ATOM 0 H VAL A 69 -4.687 2.071 -13.649 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.381 0.290 -11.311 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.260 -0.504 -12.419 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.388 -2.004 -14.023 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -4.310 -1.844 -12.509 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.835 -0.968 -13.967 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.982 -0.131 -14.836 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.370 0.983 -14.820 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.891 1.390 -13.917 1.00 0.00 H new ATOM 1033 N ILE A 70 -2.021 1.418 -10.686 1.00 0.00 N ATOM 1034 CA ILE A 70 -1.149 2.297 -9.887 1.00 0.00 C ATOM 1035 C ILE A 70 0.331 1.869 -9.938 1.00 0.00 C ATOM 1036 O ILE A 70 0.657 0.756 -10.355 1.00 0.00 O ATOM 1037 CB ILE A 70 -1.643 2.333 -8.414 1.00 0.00 C ATOM 1038 CG1 ILE A 70 -1.715 0.917 -7.805 1.00 0.00 C ATOM 1039 CG2 ILE A 70 -3.015 3.005 -8.332 1.00 0.00 C ATOM 1040 CD1 ILE A 70 -0.407 0.416 -7.235 1.00 0.00 C ATOM 0 H ILE A 70 -1.833 0.423 -10.562 1.00 0.00 H new ATOM 0 HA ILE A 70 -1.208 3.294 -10.323 1.00 0.00 H new ATOM 0 HB ILE A 70 -0.921 2.912 -7.838 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -2.467 0.912 -7.016 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -2.053 0.221 -8.573 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.350 3.024 -7.295 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.943 4.025 -8.709 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -3.731 2.445 -8.934 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -0.547 -0.585 -6.828 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.345 0.385 -8.023 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -0.075 1.087 -6.442 1.00 0.00 H new ATOM 1052 N ASN A 71 1.216 2.765 -9.494 1.00 0.00 N ATOM 1053 CA ASN A 71 2.669 2.530 -9.506 1.00 0.00 C ATOM 1054 C ASN A 71 3.251 2.388 -8.079 1.00 0.00 C ATOM 1055 O ASN A 71 2.529 2.473 -7.086 1.00 0.00 O ATOM 1056 CB ASN A 71 3.367 3.682 -10.241 1.00 0.00 C ATOM 1057 CG ASN A 71 3.107 5.026 -9.585 1.00 0.00 C ATOM 1058 OD1 ASN A 71 2.077 5.237 -8.956 1.00 0.00 O ATOM 1059 ND2 ASN A 71 4.041 5.942 -9.717 1.00 0.00 N ATOM 0 H ASN A 71 0.950 3.674 -9.116 1.00 0.00 H new ATOM 0 HA ASN A 71 2.849 1.588 -10.025 1.00 0.00 H new ATOM 0 HB2 ASN A 71 4.441 3.495 -10.268 1.00 0.00 H new ATOM 0 HB3 ASN A 71 3.023 3.712 -11.275 1.00 0.00 H new ATOM 0 HD21 ASN A 71 3.919 6.860 -9.289 1.00 0.00 H new ATOM 0 HD22 ASN A 71 4.887 5.735 -10.247 1.00 0.00 H new ATOM 1066 N TYR A 72 4.571 2.175 -7.992 1.00 0.00 N ATOM 1067 CA TYR A 72 5.257 1.953 -6.705 1.00 0.00 C ATOM 1068 C TYR A 72 5.671 3.266 -5.992 1.00 0.00 C ATOM 1069 O TYR A 72 5.474 3.414 -4.783 1.00 0.00 O ATOM 1070 CB TYR A 72 6.495 1.068 -6.923 1.00 0.00 C ATOM 1071 CG TYR A 72 7.401 0.968 -5.707 1.00 0.00 C ATOM 1072 CD1 TYR A 72 7.031 0.214 -4.596 1.00 0.00 C ATOM 1073 CD2 TYR A 72 8.617 1.644 -5.663 1.00 0.00 C ATOM 1074 CE1 TYR A 72 7.849 0.135 -3.485 1.00 0.00 C ATOM 1075 CE2 TYR A 72 9.433 1.571 -4.555 1.00 0.00 C ATOM 1076 CZ TYR A 72 9.048 0.818 -3.470 1.00 0.00 C ATOM 1077 OH TYR A 72 9.862 0.755 -2.363 1.00 0.00 O ATOM 0 H TYR A 72 5.191 2.151 -8.801 1.00 0.00 H new ATOM 0 HA TYR A 72 4.541 1.456 -6.051 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.169 0.067 -7.205 1.00 0.00 H new ATOM 0 HB3 TYR A 72 7.070 1.463 -7.761 1.00 0.00 H new ATOM 0 HD1 TYR A 72 6.091 -0.317 -4.603 1.00 0.00 H new ATOM 0 HD2 TYR A 72 8.926 2.236 -6.512 1.00 0.00 H new ATOM 0 HE1 TYR A 72 7.551 -0.458 -2.633 1.00 0.00 H new ATOM 0 HE2 TYR A 72 10.372 2.104 -4.538 1.00 0.00 H new ATOM 0 HH TYR A 72 10.667 1.292 -2.518 1.00 0.00 H new ATOM 1087 N GLU A 73 6.266 4.208 -6.719 1.00 0.00 N ATOM 1088 CA GLU A 73 6.766 5.438 -6.087 1.00 0.00 C ATOM 1089 C GLU A 73 5.623 6.246 -5.443 1.00 0.00 C ATOM 1090 O GLU A 73 5.818 6.907 -4.420 1.00 0.00 O ATOM 1091 CB GLU A 73 7.546 6.286 -7.101 1.00 0.00 C ATOM 1092 CG GLU A 73 8.300 7.450 -6.465 1.00 0.00 C ATOM 1093 CD GLU A 73 9.317 8.080 -7.403 1.00 0.00 C ATOM 1094 OE1 GLU A 73 8.956 9.025 -8.138 1.00 0.00 O ATOM 1095 OE2 GLU A 73 10.488 7.636 -7.406 1.00 0.00 O ATOM 0 H GLU A 73 6.415 4.152 -7.727 1.00 0.00 H new ATOM 0 HA GLU A 73 7.449 5.152 -5.287 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.255 5.648 -7.628 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.853 6.676 -7.847 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.585 8.210 -6.149 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.810 7.099 -5.568 1.00 0.00 H new ATOM 1102 N GLU A 74 4.430 6.166 -6.027 1.00 0.00 N ATOM 1103 CA GLU A 74 3.235 6.747 -5.403 1.00 0.00 C ATOM 1104 C GLU A 74 2.776 5.909 -4.196 1.00 0.00 C ATOM 1105 O GLU A 74 2.287 6.459 -3.210 1.00 0.00 O ATOM 1106 CB GLU A 74 2.092 6.887 -6.422 1.00 0.00 C ATOM 1107 CG GLU A 74 1.913 8.300 -6.976 1.00 0.00 C ATOM 1108 CD GLU A 74 3.150 8.837 -7.679 1.00 0.00 C ATOM 1109 OE1 GLU A 74 3.279 8.636 -8.904 1.00 0.00 O ATOM 1110 OE2 GLU A 74 3.987 9.486 -7.015 1.00 0.00 O ATOM 0 H GLU A 74 4.261 5.710 -6.923 1.00 0.00 H new ATOM 0 HA GLU A 74 3.502 7.742 -5.047 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.275 6.204 -7.252 1.00 0.00 H new ATOM 0 HB3 GLU A 74 1.160 6.573 -5.951 1.00 0.00 H new ATOM 0 HG2 GLU A 74 1.077 8.304 -7.675 1.00 0.00 H new ATOM 0 HG3 GLU A 74 1.649 8.971 -6.159 1.00 0.00 H new ATOM 1117 N PHE A 75 2.914 4.581 -4.292 1.00 0.00 N ATOM 1118 CA PHE A 75 2.668 3.676 -3.148 1.00 0.00 C ATOM 1119 C PHE A 75 3.333 4.184 -1.859 1.00 0.00 C ATOM 1120 O PHE A 75 2.736 4.135 -0.782 1.00 0.00 O ATOM 1121 CB PHE A 75 3.152 2.255 -3.489 1.00 0.00 C ATOM 1122 CG PHE A 75 3.107 1.280 -2.342 1.00 0.00 C ATOM 1123 CD1 PHE A 75 1.909 0.972 -1.722 1.00 0.00 C ATOM 1124 CD2 PHE A 75 4.264 0.668 -1.887 1.00 0.00 C ATOM 1125 CE1 PHE A 75 1.861 0.079 -0.673 1.00 0.00 C ATOM 1126 CE2 PHE A 75 4.221 -0.226 -0.839 1.00 0.00 C ATOM 1127 CZ PHE A 75 3.019 -0.522 -0.232 1.00 0.00 C ATOM 0 H PHE A 75 3.195 4.103 -5.148 1.00 0.00 H new ATOM 0 HA PHE A 75 1.594 3.653 -2.964 1.00 0.00 H new ATOM 0 HB2 PHE A 75 2.542 1.864 -4.304 1.00 0.00 H new ATOM 0 HB3 PHE A 75 4.176 2.314 -3.857 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.997 1.438 -2.065 1.00 0.00 H new ATOM 0 HD2 PHE A 75 5.209 0.894 -2.358 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.918 -0.149 -0.198 1.00 0.00 H new ATOM 0 HE2 PHE A 75 5.130 -0.695 -0.493 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.986 -1.224 0.588 1.00 0.00 H new ATOM 1137 N LYS A 76 4.562 4.676 -1.975 1.00 0.00 N ATOM 1138 CA LYS A 76 5.258 5.292 -0.832 1.00 0.00 C ATOM 1139 C LYS A 76 4.458 6.477 -0.249 1.00 0.00 C ATOM 1140 O LYS A 76 4.344 6.635 0.973 1.00 0.00 O ATOM 1141 CB LYS A 76 6.652 5.768 -1.256 1.00 0.00 C ATOM 1142 CG LYS A 76 7.555 4.652 -1.777 1.00 0.00 C ATOM 1143 CD LYS A 76 8.981 5.143 -2.009 1.00 0.00 C ATOM 1144 CE LYS A 76 9.035 6.318 -2.981 1.00 0.00 C ATOM 1145 NZ LYS A 76 10.433 6.745 -3.250 1.00 0.00 N ATOM 0 H LYS A 76 5.101 4.664 -2.841 1.00 0.00 H new ATOM 0 HA LYS A 76 5.351 4.533 -0.055 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.546 6.528 -2.031 1.00 0.00 H new ATOM 0 HB3 LYS A 76 7.136 6.246 -0.405 1.00 0.00 H new ATOM 0 HG2 LYS A 76 7.565 3.829 -1.063 1.00 0.00 H new ATOM 0 HG3 LYS A 76 7.149 4.260 -2.709 1.00 0.00 H new ATOM 0 HD2 LYS A 76 9.420 5.441 -1.057 1.00 0.00 H new ATOM 0 HD3 LYS A 76 9.587 4.324 -2.397 1.00 0.00 H new ATOM 0 HE2 LYS A 76 8.553 6.038 -3.918 1.00 0.00 H new ATOM 0 HE3 LYS A 76 8.471 7.156 -2.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 10.430 7.545 -3.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 10.885 7.036 -2.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 10.964 5.953 -3.665 1.00 0.00 H new ATOM 1159 N LYS A 77 3.889 7.299 -1.131 1.00 0.00 N ATOM 1160 CA LYS A 77 3.116 8.474 -0.714 1.00 0.00 C ATOM 1161 C LYS A 77 1.764 8.060 -0.106 1.00 0.00 C ATOM 1162 O LYS A 77 1.340 8.588 0.925 1.00 0.00 O ATOM 1163 CB LYS A 77 2.909 9.408 -1.916 1.00 0.00 C ATOM 1164 CG LYS A 77 2.106 10.669 -1.605 1.00 0.00 C ATOM 1165 CD LYS A 77 2.056 11.622 -2.800 1.00 0.00 C ATOM 1166 CE LYS A 77 1.419 10.973 -4.027 1.00 0.00 C ATOM 1167 NZ LYS A 77 1.397 11.897 -5.193 1.00 0.00 N ATOM 0 H LYS A 77 3.948 7.174 -2.142 1.00 0.00 H new ATOM 0 HA LYS A 77 3.674 9.004 0.057 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.884 9.700 -2.306 1.00 0.00 H new ATOM 0 HB3 LYS A 77 2.402 8.855 -2.707 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.091 10.392 -1.319 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.550 11.181 -0.751 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.492 12.514 -2.528 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.067 11.947 -3.046 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.972 10.071 -4.289 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.401 10.665 -3.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 0.957 11.420 -6.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.848 12.747 -4.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 2.370 12.171 -5.437 1.00 0.00 H new ATOM 1181 N ALA A 78 1.095 7.107 -0.750 1.00 0.00 N ATOM 1182 CA ALA A 78 -0.170 6.577 -0.252 1.00 0.00 C ATOM 1183 C ALA A 78 -0.012 5.925 1.138 1.00 0.00 C ATOM 1184 O ALA A 78 -0.832 6.144 2.029 1.00 0.00 O ATOM 1185 CB ALA A 78 -0.744 5.592 -1.259 1.00 0.00 C ATOM 0 H ALA A 78 1.411 6.684 -1.623 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.866 7.407 -0.131 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.689 5.198 -0.884 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.914 6.100 -2.209 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.042 4.772 -1.407 1.00 0.00 H new ATOM 1191 N LEU A 79 1.040 5.120 1.323 1.00 0.00 N ATOM 1192 CA LEU A 79 1.374 4.576 2.652 1.00 0.00 C ATOM 1193 C LEU A 79 1.470 5.685 3.709 1.00 0.00 C ATOM 1194 O LEU A 79 0.936 5.547 4.810 1.00 0.00 O ATOM 1195 CB LEU A 79 2.700 3.806 2.622 1.00 0.00 C ATOM 1196 CG LEU A 79 2.671 2.432 1.942 1.00 0.00 C ATOM 1197 CD1 LEU A 79 4.036 1.762 2.061 1.00 0.00 C ATOM 1198 CD2 LEU A 79 1.575 1.547 2.539 1.00 0.00 C ATOM 0 H LEU A 79 1.673 4.830 0.578 1.00 0.00 H new ATOM 0 HA LEU A 79 0.566 3.896 2.920 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.443 4.423 2.116 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.042 3.673 3.648 1.00 0.00 H new ATOM 0 HG LEU A 79 2.442 2.573 0.886 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.006 0.787 1.575 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.790 2.384 1.579 1.00 0.00 H new ATOM 0 HD13 LEU A 79 4.289 1.635 3.114 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.576 0.579 2.039 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.761 1.406 3.604 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.605 2.025 2.401 1.00 0.00 H new ATOM 1210 N GLU A 80 2.162 6.775 3.370 1.00 0.00 N ATOM 1211 CA GLU A 80 2.282 7.930 4.274 1.00 0.00 C ATOM 1212 C GLU A 80 0.891 8.429 4.719 1.00 0.00 C ATOM 1213 O GLU A 80 0.691 8.814 5.877 1.00 0.00 O ATOM 1214 CB GLU A 80 3.062 9.060 3.583 1.00 0.00 C ATOM 1215 CG GLU A 80 3.385 10.239 4.495 1.00 0.00 C ATOM 1216 CD GLU A 80 4.134 11.352 3.777 1.00 0.00 C ATOM 1217 OE1 GLU A 80 5.385 11.325 3.751 1.00 0.00 O ATOM 1218 OE2 GLU A 80 3.476 12.268 3.246 1.00 0.00 O ATOM 0 H GLU A 80 2.648 6.886 2.480 1.00 0.00 H new ATOM 0 HA GLU A 80 2.828 7.616 5.164 1.00 0.00 H new ATOM 0 HB2 GLU A 80 3.993 8.655 3.186 1.00 0.00 H new ATOM 0 HB3 GLU A 80 2.483 9.420 2.732 1.00 0.00 H new ATOM 0 HG2 GLU A 80 2.458 10.638 4.907 1.00 0.00 H new ATOM 0 HG3 GLU A 80 3.983 9.889 5.336 1.00 0.00 H new ATOM 1225 N GLU A 81 -0.069 8.404 3.792 1.00 0.00 N ATOM 1226 CA GLU A 81 -1.467 8.742 4.100 1.00 0.00 C ATOM 1227 C GLU A 81 -2.038 7.801 5.183 1.00 0.00 C ATOM 1228 O GLU A 81 -2.579 8.258 6.189 1.00 0.00 O ATOM 1229 CB GLU A 81 -2.315 8.663 2.815 1.00 0.00 C ATOM 1230 CG GLU A 81 -3.784 9.063 2.976 1.00 0.00 C ATOM 1231 CD GLU A 81 -3.983 10.546 3.262 1.00 0.00 C ATOM 1232 OE1 GLU A 81 -3.560 11.382 2.433 1.00 0.00 O ATOM 1233 OE2 GLU A 81 -4.570 10.886 4.311 1.00 0.00 O ATOM 0 H GLU A 81 0.094 8.153 2.817 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.502 9.759 4.490 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.861 9.305 2.060 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -2.273 7.643 2.433 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -4.325 8.801 2.067 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -4.223 8.483 3.787 1.00 0.00 H new ATOM 1240 N LEU A 82 -1.897 6.485 4.983 1.00 0.00 N ATOM 1241 CA LEU A 82 -2.374 5.500 5.970 1.00 0.00 C ATOM 1242 C LEU A 82 -1.680 5.670 7.327 1.00 0.00 C ATOM 1243 O LEU A 82 -2.334 5.685 8.366 1.00 0.00 O ATOM 1244 CB LEU A 82 -2.163 4.055 5.484 1.00 0.00 C ATOM 1245 CG LEU A 82 -3.154 3.543 4.426 1.00 0.00 C ATOM 1246 CD1 LEU A 82 -2.914 4.219 3.086 1.00 0.00 C ATOM 1247 CD2 LEU A 82 -3.059 2.021 4.293 1.00 0.00 C ATOM 0 H LEU A 82 -1.461 6.077 4.156 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.441 5.687 6.088 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -1.155 3.974 5.077 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -2.212 3.392 6.348 1.00 0.00 H new ATOM 0 HG LEU A 82 -4.163 3.796 4.753 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.627 3.840 2.354 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -3.042 5.296 3.194 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.900 4.006 2.748 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.768 1.677 3.540 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -2.048 1.744 3.994 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -3.294 1.557 5.251 1.00 0.00 H new ATOM 1259 N ALA A 83 -0.354 5.791 7.306 1.00 0.00 N ATOM 1260 CA ALA A 83 0.440 5.924 8.533 1.00 0.00 C ATOM 1261 C ALA A 83 -0.066 7.070 9.420 1.00 0.00 C ATOM 1262 O ALA A 83 -0.240 6.904 10.630 1.00 0.00 O ATOM 1263 CB ALA A 83 1.911 6.129 8.186 1.00 0.00 C ATOM 0 H ALA A 83 0.199 5.800 6.449 1.00 0.00 H new ATOM 0 HA ALA A 83 0.330 5.000 9.101 1.00 0.00 H new ATOM 0 HB1 ALA A 83 2.491 6.227 9.104 1.00 0.00 H new ATOM 0 HB2 ALA A 83 2.273 5.273 7.617 1.00 0.00 H new ATOM 0 HB3 ALA A 83 2.021 7.034 7.589 1.00 0.00 H new ATOM 1269 N THR A 84 -0.318 8.222 8.804 1.00 0.00 N ATOM 1270 CA THR A 84 -0.816 9.403 9.524 1.00 0.00 C ATOM 1271 C THR A 84 -2.247 9.198 10.054 1.00 0.00 C ATOM 1272 O THR A 84 -2.598 9.704 11.121 1.00 0.00 O ATOM 1273 CB THR A 84 -0.795 10.666 8.629 1.00 0.00 C ATOM 1274 OG1 THR A 84 -1.577 10.448 7.445 1.00 0.00 O ATOM 1275 CG2 THR A 84 0.632 11.041 8.237 1.00 0.00 C ATOM 0 H THR A 84 -0.186 8.368 7.803 1.00 0.00 H new ATOM 0 HA THR A 84 -0.142 9.544 10.369 1.00 0.00 H new ATOM 0 HB THR A 84 -1.224 11.488 9.202 1.00 0.00 H new ATOM 0 HG1 THR A 84 -1.789 9.495 7.364 1.00 0.00 H new ATOM 0 HG21 THR A 84 0.615 11.932 7.609 1.00 0.00 H new ATOM 0 HG22 THR A 84 1.215 11.242 9.136 1.00 0.00 H new ATOM 0 HG23 THR A 84 1.086 10.217 7.686 1.00 0.00 H new ATOM 1283 N LYS A 85 -3.073 8.462 9.306 1.00 0.00 N ATOM 1284 CA LYS A 85 -4.459 8.184 9.721 1.00 0.00 C ATOM 1285 C LYS A 85 -4.544 7.046 10.753 1.00 0.00 C ATOM 1286 O LYS A 85 -5.467 7.002 11.569 1.00 0.00 O ATOM 1287 CB LYS A 85 -5.324 7.825 8.504 1.00 0.00 C ATOM 1288 CG LYS A 85 -5.416 8.930 7.458 1.00 0.00 C ATOM 1289 CD LYS A 85 -6.426 8.599 6.353 1.00 0.00 C ATOM 1290 CE LYS A 85 -7.871 8.883 6.775 1.00 0.00 C ATOM 1291 NZ LYS A 85 -8.353 7.990 7.866 1.00 0.00 N ATOM 0 H LYS A 85 -2.811 8.047 8.412 1.00 0.00 H new ATOM 0 HA LYS A 85 -4.833 9.095 10.189 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.918 6.929 8.035 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -6.329 7.579 8.846 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -5.703 9.863 7.942 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -4.434 9.090 7.014 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -6.190 9.182 5.463 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -6.330 7.548 6.081 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -7.949 9.920 7.102 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -8.524 8.772 5.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -9.321 7.674 7.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -7.727 7.163 7.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -8.348 8.509 8.767 1.00 0.00 H new ATOM 1305 N ARG A 86 -3.591 6.121 10.705 1.00 0.00 N ATOM 1306 CA ARG A 86 -3.600 4.948 11.576 1.00 0.00 C ATOM 1307 C ARG A 86 -2.940 5.268 12.926 1.00 0.00 C ATOM 1308 O ARG A 86 -3.543 5.088 13.989 1.00 0.00 O ATOM 1309 CB ARG A 86 -2.867 3.786 10.873 1.00 0.00 C ATOM 1310 CG ARG A 86 -3.290 2.390 11.331 1.00 0.00 C ATOM 1311 CD ARG A 86 -2.926 2.108 12.783 1.00 0.00 C ATOM 1312 NE ARG A 86 -3.361 0.776 13.204 1.00 0.00 N ATOM 1313 CZ ARG A 86 -4.157 0.548 14.214 1.00 0.00 C ATOM 1314 NH1 ARG A 86 -4.593 1.524 14.947 1.00 0.00 N ATOM 1315 NH2 ARG A 86 -4.521 -0.662 14.483 1.00 0.00 N ATOM 0 H ARG A 86 -2.796 6.161 10.067 1.00 0.00 H new ATOM 0 HA ARG A 86 -4.632 4.656 11.772 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -3.034 3.867 9.799 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -1.795 3.898 11.038 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -4.367 2.282 11.204 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -2.817 1.644 10.692 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.847 2.195 12.911 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -3.385 2.860 13.425 1.00 0.00 H new ATOM 0 HE ARG A 86 -3.021 -0.026 12.674 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -4.315 2.483 14.738 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -5.214 1.333 15.733 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -4.187 -1.435 13.907 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -5.143 -0.844 15.271 1.00 0.00 H new ATOM 1329 N PHE A 87 -1.704 5.753 12.874 1.00 0.00 N ATOM 1330 CA PHE A 87 -0.924 6.045 14.080 1.00 0.00 C ATOM 1331 C PHE A 87 -1.015 7.535 14.463 1.00 0.00 C ATOM 1332 O PHE A 87 0.002 8.188 14.709 1.00 0.00 O ATOM 1333 CB PHE A 87 0.543 5.627 13.867 1.00 0.00 C ATOM 1334 CG PHE A 87 0.732 4.135 13.706 1.00 0.00 C ATOM 1335 CD1 PHE A 87 0.558 3.289 14.793 1.00 0.00 C ATOM 1336 CD2 PHE A 87 1.075 3.575 12.476 1.00 0.00 C ATOM 1337 CE1 PHE A 87 0.723 1.923 14.662 1.00 0.00 C ATOM 1338 CE2 PHE A 87 1.238 2.208 12.343 1.00 0.00 C ATOM 1339 CZ PHE A 87 1.063 1.382 13.437 1.00 0.00 C ATOM 0 H PHE A 87 -1.214 5.955 12.003 1.00 0.00 H new ATOM 0 HA PHE A 87 -1.343 5.470 14.906 1.00 0.00 H new ATOM 0 HB2 PHE A 87 0.930 6.131 12.982 1.00 0.00 H new ATOM 0 HB3 PHE A 87 1.136 5.970 14.715 1.00 0.00 H new ATOM 0 HD1 PHE A 87 0.290 3.704 15.754 1.00 0.00 H new ATOM 0 HD2 PHE A 87 1.215 4.216 11.618 1.00 0.00 H new ATOM 0 HE1 PHE A 87 0.586 1.278 15.518 1.00 0.00 H new ATOM 0 HE2 PHE A 87 1.502 1.786 11.384 1.00 0.00 H new ATOM 0 HZ PHE A 87 1.192 0.315 13.335 1.00 0.00 H new ATOM 1349 N LYS A 88 -2.246 8.058 14.535 1.00 0.00 N ATOM 1350 CA LYS A 88 -2.482 9.466 14.894 1.00 0.00 C ATOM 1351 C LYS A 88 -1.923 9.793 16.290 1.00 0.00 C ATOM 1352 O LYS A 88 -2.541 9.493 17.314 1.00 0.00 O ATOM 1353 CB LYS A 88 -3.983 9.797 14.837 1.00 0.00 C ATOM 1354 CG LYS A 88 -4.601 9.627 13.451 1.00 0.00 C ATOM 1355 CD LYS A 88 -6.077 10.016 13.427 1.00 0.00 C ATOM 1356 CE LYS A 88 -6.922 9.106 14.309 1.00 0.00 C ATOM 1357 NZ LYS A 88 -8.345 9.534 14.341 1.00 0.00 N ATOM 0 H LYS A 88 -3.097 7.527 14.349 1.00 0.00 H new ATOM 0 HA LYS A 88 -1.955 10.082 14.165 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -4.513 9.157 15.542 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -4.131 10.825 15.167 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -4.054 10.239 12.733 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -4.495 8.590 13.132 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -6.185 11.048 13.762 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -6.447 9.973 12.402 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -6.859 8.082 13.941 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -6.520 9.106 15.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -8.888 8.890 14.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -8.408 10.502 14.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -8.737 9.510 13.378 1.00 0.00 H new ATOM 1371 N GLY A 89 -0.744 10.405 16.313 1.00 0.00 N ATOM 1372 CA GLY A 89 -0.061 10.714 17.565 1.00 0.00 C ATOM 1373 C GLY A 89 1.422 10.384 17.495 1.00 0.00 C ATOM 1374 O GLY A 89 2.251 11.029 18.141 1.00 0.00 O ATOM 0 H GLY A 89 -0.240 10.698 15.476 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -0.188 11.772 17.797 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.521 10.152 18.378 1.00 0.00 H new ATOM 1378 N LYS A 90 1.749 9.373 16.701 1.00 0.00 N ATOM 1379 CA LYS A 90 3.134 8.972 16.459 1.00 0.00 C ATOM 1380 C LYS A 90 3.743 9.796 15.312 1.00 0.00 C ATOM 1381 O LYS A 90 3.053 10.141 14.352 1.00 0.00 O ATOM 1382 CB LYS A 90 3.175 7.472 16.132 1.00 0.00 C ATOM 1383 CG LYS A 90 4.554 6.943 15.746 1.00 0.00 C ATOM 1384 CD LYS A 90 4.531 5.436 15.488 1.00 0.00 C ATOM 1385 CE LYS A 90 4.237 4.645 16.759 1.00 0.00 C ATOM 1386 NZ LYS A 90 5.333 4.764 17.756 1.00 0.00 N ATOM 0 H LYS A 90 1.062 8.805 16.204 1.00 0.00 H new ATOM 0 HA LYS A 90 3.726 9.160 17.354 1.00 0.00 H new ATOM 0 HB2 LYS A 90 2.816 6.915 16.997 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.482 7.273 15.315 1.00 0.00 H new ATOM 0 HG2 LYS A 90 4.905 7.460 14.853 1.00 0.00 H new ATOM 0 HG3 LYS A 90 5.265 7.165 16.542 1.00 0.00 H new ATOM 0 HD2 LYS A 90 3.776 5.208 14.736 1.00 0.00 H new ATOM 0 HD3 LYS A 90 5.492 5.123 15.080 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.306 5.001 17.200 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.089 3.595 16.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 5.743 3.825 17.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 6.070 5.399 17.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 4.954 5.151 18.644 1.00 0.00 H new ATOM 1400 N SER A 91 5.031 10.122 15.420 1.00 0.00 N ATOM 1401 CA SER A 91 5.719 10.905 14.378 1.00 0.00 C ATOM 1402 C SER A 91 5.668 10.193 13.019 1.00 0.00 C ATOM 1403 O SER A 91 5.929 8.995 12.934 1.00 0.00 O ATOM 1404 CB SER A 91 7.181 11.161 14.763 1.00 0.00 C ATOM 1405 OG SER A 91 7.857 11.879 13.743 1.00 0.00 O ATOM 0 H SER A 91 5.621 9.861 16.210 1.00 0.00 H new ATOM 0 HA SER A 91 5.197 11.858 14.294 1.00 0.00 H new ATOM 0 HB2 SER A 91 7.222 11.723 15.696 1.00 0.00 H new ATOM 0 HB3 SER A 91 7.686 10.211 14.940 1.00 0.00 H new ATOM 0 HG SER A 91 8.787 12.032 14.012 1.00 0.00 H new ATOM 1411 N LYS A 92 5.354 10.944 11.958 1.00 0.00 N ATOM 1412 CA LYS A 92 5.151 10.379 10.621 1.00 0.00 C ATOM 1413 C LYS A 92 6.319 9.491 10.155 1.00 0.00 C ATOM 1414 O LYS A 92 6.104 8.485 9.480 1.00 0.00 O ATOM 1415 CB LYS A 92 4.927 11.506 9.609 1.00 0.00 C ATOM 1416 CG LYS A 92 6.119 12.446 9.445 1.00 0.00 C ATOM 1417 CD LYS A 92 5.969 13.340 8.216 1.00 0.00 C ATOM 1418 CE LYS A 92 5.973 12.527 6.922 1.00 0.00 C ATOM 1419 NZ LYS A 92 5.792 13.384 5.722 1.00 0.00 N ATOM 0 H LYS A 92 5.234 11.956 12.002 1.00 0.00 H new ATOM 0 HA LYS A 92 4.270 9.740 10.681 1.00 0.00 H new ATOM 0 HB2 LYS A 92 4.689 11.067 8.640 1.00 0.00 H new ATOM 0 HB3 LYS A 92 4.059 12.089 9.917 1.00 0.00 H new ATOM 0 HG2 LYS A 92 6.219 13.066 10.336 1.00 0.00 H new ATOM 0 HG3 LYS A 92 7.035 11.861 9.360 1.00 0.00 H new ATOM 0 HD2 LYS A 92 5.040 13.905 8.288 1.00 0.00 H new ATOM 0 HD3 LYS A 92 6.782 14.066 8.192 1.00 0.00 H new ATOM 0 HE2 LYS A 92 6.914 11.983 6.839 1.00 0.00 H new ATOM 0 HE3 LYS A 92 5.177 11.784 6.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 5.919 12.811 4.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 4.835 13.792 5.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 6.495 14.150 5.734 1.00 0.00 H new ATOM 1433 N GLU A 93 7.550 9.866 10.502 1.00 0.00 N ATOM 1434 CA GLU A 93 8.731 9.090 10.100 1.00 0.00 C ATOM 1435 C GLU A 93 8.742 7.703 10.770 1.00 0.00 C ATOM 1436 O GLU A 93 8.875 6.676 10.098 1.00 0.00 O ATOM 1437 CB GLU A 93 10.020 9.863 10.428 1.00 0.00 C ATOM 1438 CG GLU A 93 10.133 11.201 9.699 1.00 0.00 C ATOM 1439 CD GLU A 93 11.471 11.897 9.925 1.00 0.00 C ATOM 1440 OE1 GLU A 93 12.462 11.515 9.265 1.00 0.00 O ATOM 1441 OE2 GLU A 93 11.537 12.838 10.740 1.00 0.00 O ATOM 0 H GLU A 93 7.759 10.696 11.057 1.00 0.00 H new ATOM 0 HA GLU A 93 8.683 8.938 9.022 1.00 0.00 H new ATOM 0 HB2 GLU A 93 10.064 10.039 11.503 1.00 0.00 H new ATOM 0 HB3 GLU A 93 10.880 9.245 10.171 1.00 0.00 H new ATOM 0 HG2 GLU A 93 9.991 11.038 8.631 1.00 0.00 H new ATOM 0 HG3 GLU A 93 9.329 11.857 10.031 1.00 0.00 H new ATOM 1448 N GLU A 94 8.587 7.682 12.093 1.00 0.00 N ATOM 1449 CA GLU A 94 8.496 6.422 12.845 1.00 0.00 C ATOM 1450 C GLU A 94 7.235 5.623 12.453 1.00 0.00 C ATOM 1451 O GLU A 94 7.262 4.394 12.367 1.00 0.00 O ATOM 1452 CB GLU A 94 8.495 6.717 14.354 1.00 0.00 C ATOM 1453 CG GLU A 94 8.426 5.470 15.233 1.00 0.00 C ATOM 1454 CD GLU A 94 8.406 5.797 16.719 1.00 0.00 C ATOM 1455 OE1 GLU A 94 7.375 6.298 17.205 1.00 0.00 O ATOM 1456 OE2 GLU A 94 9.420 5.560 17.406 1.00 0.00 O ATOM 0 H GLU A 94 8.521 8.520 12.670 1.00 0.00 H new ATOM 0 HA GLU A 94 9.364 5.812 12.597 1.00 0.00 H new ATOM 0 HB2 GLU A 94 9.397 7.276 14.605 1.00 0.00 H new ATOM 0 HB3 GLU A 94 7.646 7.360 14.587 1.00 0.00 H new ATOM 0 HG2 GLU A 94 7.532 4.901 14.979 1.00 0.00 H new ATOM 0 HG3 GLU A 94 9.283 4.831 15.018 1.00 0.00 H new ATOM 1463 N ALA A 95 6.137 6.335 12.204 1.00 0.00 N ATOM 1464 CA ALA A 95 4.873 5.710 11.791 1.00 0.00 C ATOM 1465 C ALA A 95 5.002 5.027 10.419 1.00 0.00 C ATOM 1466 O ALA A 95 4.532 3.905 10.222 1.00 0.00 O ATOM 1467 CB ALA A 95 3.757 6.751 11.767 1.00 0.00 C ATOM 0 H ALA A 95 6.094 7.351 12.281 1.00 0.00 H new ATOM 0 HA ALA A 95 4.625 4.938 12.520 1.00 0.00 H new ATOM 0 HB1 ALA A 95 2.824 6.278 11.460 1.00 0.00 H new ATOM 0 HB2 ALA A 95 3.636 7.178 12.763 1.00 0.00 H new ATOM 0 HB3 ALA A 95 4.012 7.542 11.062 1.00 0.00 H new ATOM 1473 N PHE A 96 5.649 5.715 9.478 1.00 0.00 N ATOM 1474 CA PHE A 96 5.888 5.169 8.137 1.00 0.00 C ATOM 1475 C PHE A 96 6.775 3.918 8.209 1.00 0.00 C ATOM 1476 O PHE A 96 6.560 2.944 7.489 1.00 0.00 O ATOM 1477 CB PHE A 96 6.539 6.234 7.240 1.00 0.00 C ATOM 1478 CG PHE A 96 6.697 5.810 5.801 1.00 0.00 C ATOM 1479 CD1 PHE A 96 5.630 5.900 4.918 1.00 0.00 C ATOM 1480 CD2 PHE A 96 7.910 5.325 5.329 1.00 0.00 C ATOM 1481 CE1 PHE A 96 5.768 5.517 3.599 1.00 0.00 C ATOM 1482 CE2 PHE A 96 8.052 4.937 4.009 1.00 0.00 C ATOM 1483 CZ PHE A 96 6.980 5.034 3.143 1.00 0.00 C ATOM 0 H PHE A 96 6.019 6.655 9.618 1.00 0.00 H new ATOM 0 HA PHE A 96 4.929 4.883 7.706 1.00 0.00 H new ATOM 0 HB2 PHE A 96 5.938 7.142 7.277 1.00 0.00 H new ATOM 0 HB3 PHE A 96 7.520 6.485 7.644 1.00 0.00 H new ATOM 0 HD1 PHE A 96 4.679 6.275 5.267 1.00 0.00 H new ATOM 0 HD2 PHE A 96 8.752 5.250 6.001 1.00 0.00 H new ATOM 0 HE1 PHE A 96 4.929 5.595 2.923 1.00 0.00 H new ATOM 0 HE2 PHE A 96 9.000 4.559 3.656 1.00 0.00 H new ATOM 0 HZ PHE A 96 7.089 4.733 2.112 1.00 0.00 H new ATOM 1493 N ASP A 97 7.770 3.960 9.091 1.00 0.00 N ATOM 1494 CA ASP A 97 8.652 2.818 9.332 1.00 0.00 C ATOM 1495 C ASP A 97 7.843 1.606 9.825 1.00 0.00 C ATOM 1496 O ASP A 97 7.945 0.506 9.276 1.00 0.00 O ATOM 1497 CB ASP A 97 9.706 3.199 10.379 1.00 0.00 C ATOM 1498 CG ASP A 97 10.867 2.223 10.419 1.00 0.00 C ATOM 1499 OD1 ASP A 97 10.771 1.195 11.121 1.00 0.00 O ATOM 1500 OD2 ASP A 97 11.884 2.478 9.740 1.00 0.00 O ATOM 0 H ASP A 97 7.988 4.780 9.656 1.00 0.00 H new ATOM 0 HA ASP A 97 9.144 2.549 8.397 1.00 0.00 H new ATOM 0 HB2 ASP A 97 10.083 4.198 10.162 1.00 0.00 H new ATOM 0 HB3 ASP A 97 9.238 3.241 11.362 1.00 0.00 H new ATOM 1505 N ALA A 98 7.035 1.837 10.858 1.00 0.00 N ATOM 1506 CA ALA A 98 6.211 0.789 11.465 1.00 0.00 C ATOM 1507 C ALA A 98 5.209 0.185 10.467 1.00 0.00 C ATOM 1508 O ALA A 98 5.148 -1.039 10.299 1.00 0.00 O ATOM 1509 CB ALA A 98 5.486 1.351 12.682 1.00 0.00 C ATOM 0 H ALA A 98 6.932 2.752 11.298 1.00 0.00 H new ATOM 0 HA ALA A 98 6.872 -0.020 11.775 1.00 0.00 H new ATOM 0 HB1 ALA A 98 4.873 0.571 13.133 1.00 0.00 H new ATOM 0 HB2 ALA A 98 6.217 1.705 13.410 1.00 0.00 H new ATOM 0 HB3 ALA A 98 4.849 2.181 12.375 1.00 0.00 H new ATOM 1515 N ILE A 99 4.429 1.036 9.796 1.00 0.00 N ATOM 1516 CA ILE A 99 3.440 0.555 8.824 1.00 0.00 C ATOM 1517 C ILE A 99 4.115 -0.263 7.702 1.00 0.00 C ATOM 1518 O ILE A 99 3.628 -1.324 7.316 1.00 0.00 O ATOM 1519 CB ILE A 99 2.600 1.709 8.203 1.00 0.00 C ATOM 1520 CG1 ILE A 99 1.482 1.137 7.311 1.00 0.00 C ATOM 1521 CG2 ILE A 99 3.482 2.671 7.409 1.00 0.00 C ATOM 1522 CD1 ILE A 99 0.587 2.190 6.692 1.00 0.00 C ATOM 0 H ILE A 99 4.460 2.050 9.904 1.00 0.00 H new ATOM 0 HA ILE A 99 2.757 -0.089 9.378 1.00 0.00 H new ATOM 0 HB ILE A 99 2.144 2.271 9.018 1.00 0.00 H new ATOM 0 HG12 ILE A 99 1.934 0.545 6.515 1.00 0.00 H new ATOM 0 HG13 ILE A 99 0.870 0.458 7.904 1.00 0.00 H new ATOM 0 HG21 ILE A 99 2.866 3.466 6.988 1.00 0.00 H new ATOM 0 HG22 ILE A 99 4.233 3.105 8.069 1.00 0.00 H new ATOM 0 HG23 ILE A 99 3.977 2.130 6.603 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -0.174 1.706 6.079 1.00 0.00 H new ATOM 0 HD12 ILE A 99 0.105 2.767 7.481 1.00 0.00 H new ATOM 0 HD13 ILE A 99 1.185 2.856 6.070 1.00 0.00 H new ATOM 1534 N CYS A 100 5.257 0.225 7.201 1.00 0.00 N ATOM 1535 CA CYS A 100 6.016 -0.499 6.169 1.00 0.00 C ATOM 1536 C CYS A 100 6.641 -1.783 6.735 1.00 0.00 C ATOM 1537 O CYS A 100 6.830 -2.760 6.014 1.00 0.00 O ATOM 1538 CB CYS A 100 7.107 0.397 5.555 1.00 0.00 C ATOM 1539 SG CYS A 100 6.467 1.841 4.678 1.00 0.00 S ATOM 0 H CYS A 100 5.674 1.110 7.489 1.00 0.00 H new ATOM 0 HA CYS A 100 5.314 -0.778 5.383 1.00 0.00 H new ATOM 0 HB2 CYS A 100 7.775 0.733 6.348 1.00 0.00 H new ATOM 0 HB3 CYS A 100 7.705 -0.198 4.865 1.00 0.00 H new ATOM 0 HG CYS A 100 6.294 2.818 5.518 1.00 0.00 H new ATOM 1545 N GLN A 101 6.943 -1.780 8.032 1.00 0.00 N ATOM 1546 CA GLN A 101 7.507 -2.959 8.706 1.00 0.00 C ATOM 1547 C GLN A 101 6.504 -4.129 8.703 1.00 0.00 C ATOM 1548 O GLN A 101 6.891 -5.300 8.641 1.00 0.00 O ATOM 1549 CB GLN A 101 7.888 -2.597 10.151 1.00 0.00 C ATOM 1550 CG GLN A 101 8.750 -3.643 10.854 1.00 0.00 C ATOM 1551 CD GLN A 101 9.056 -3.269 12.295 1.00 0.00 C ATOM 1552 OE1 GLN A 101 8.336 -3.645 13.214 1.00 0.00 O ATOM 1553 NE2 GLN A 101 10.110 -2.508 12.501 1.00 0.00 N ATOM 0 H GLN A 101 6.808 -0.974 8.643 1.00 0.00 H new ATOM 0 HA GLN A 101 8.398 -3.274 8.163 1.00 0.00 H new ATOM 0 HB2 GLN A 101 8.422 -1.647 10.146 1.00 0.00 H new ATOM 0 HB3 GLN A 101 6.976 -2.447 10.728 1.00 0.00 H new ATOM 0 HG2 GLN A 101 8.239 -4.605 10.832 1.00 0.00 H new ATOM 0 HG3 GLN A 101 9.685 -3.766 10.307 1.00 0.00 H new ATOM 0 HE21 GLN A 101 10.688 -2.213 11.714 1.00 0.00 H new ATOM 0 HE22 GLN A 101 10.349 -2.213 13.448 1.00 0.00 H new ATOM 1562 N LEU A 102 5.213 -3.798 8.776 1.00 0.00 N ATOM 1563 CA LEU A 102 4.140 -4.809 8.741 1.00 0.00 C ATOM 1564 C LEU A 102 3.885 -5.333 7.315 1.00 0.00 C ATOM 1565 O LEU A 102 3.311 -6.409 7.133 1.00 0.00 O ATOM 1566 CB LEU A 102 2.833 -4.216 9.291 1.00 0.00 C ATOM 1567 CG LEU A 102 2.899 -3.658 10.723 1.00 0.00 C ATOM 1568 CD1 LEU A 102 1.538 -3.107 11.145 1.00 0.00 C ATOM 1569 CD2 LEU A 102 3.378 -4.726 11.706 1.00 0.00 C ATOM 0 H LEU A 102 4.879 -2.838 8.860 1.00 0.00 H new ATOM 0 HA LEU A 102 4.469 -5.643 9.361 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.511 -3.416 8.624 1.00 0.00 H new ATOM 0 HB3 LEU A 102 2.064 -4.988 9.258 1.00 0.00 H new ATOM 0 HG LEU A 102 3.621 -2.842 10.736 1.00 0.00 H new ATOM 0 HD11 LEU A 102 1.603 -2.716 12.161 1.00 0.00 H new ATOM 0 HD12 LEU A 102 1.243 -2.307 10.466 1.00 0.00 H new ATOM 0 HD13 LEU A 102 0.796 -3.904 11.110 1.00 0.00 H new ATOM 0 HD21 LEU A 102 3.416 -4.305 12.711 1.00 0.00 H new ATOM 0 HD22 LEU A 102 2.688 -5.570 11.692 1.00 0.00 H new ATOM 0 HD23 LEU A 102 4.373 -5.066 11.418 1.00 0.00 H new ATOM 1581 N VAL A 103 4.308 -4.562 6.314 1.00 0.00 N ATOM 1582 CA VAL A 103 4.010 -4.866 4.903 1.00 0.00 C ATOM 1583 C VAL A 103 5.238 -5.409 4.143 1.00 0.00 C ATOM 1584 O VAL A 103 5.230 -6.541 3.643 1.00 0.00 O ATOM 1585 CB VAL A 103 3.485 -3.596 4.180 1.00 0.00 C ATOM 1586 CG1 VAL A 103 3.143 -3.891 2.722 1.00 0.00 C ATOM 1587 CG2 VAL A 103 2.276 -3.009 4.913 1.00 0.00 C ATOM 0 H VAL A 103 4.862 -3.716 6.449 1.00 0.00 H new ATOM 0 HA VAL A 103 3.246 -5.644 4.904 1.00 0.00 H new ATOM 0 HB VAL A 103 4.284 -2.854 4.193 1.00 0.00 H new ATOM 0 HG11 VAL A 103 2.778 -2.982 2.243 1.00 0.00 H new ATOM 0 HG12 VAL A 103 4.035 -4.242 2.203 1.00 0.00 H new ATOM 0 HG13 VAL A 103 2.371 -4.659 2.678 1.00 0.00 H new ATOM 0 HG21 VAL A 103 1.927 -2.120 4.387 1.00 0.00 H new ATOM 0 HG22 VAL A 103 1.476 -3.749 4.946 1.00 0.00 H new ATOM 0 HG23 VAL A 103 2.563 -2.739 5.930 1.00 0.00 H new ATOM 1597 N ALA A 104 6.288 -4.594 4.059 1.00 0.00 N ATOM 1598 CA ALA A 104 7.495 -4.935 3.294 1.00 0.00 C ATOM 1599 C ALA A 104 8.142 -6.244 3.768 1.00 0.00 C ATOM 1600 O ALA A 104 8.086 -6.592 4.949 1.00 0.00 O ATOM 1601 CB ALA A 104 8.504 -3.796 3.380 1.00 0.00 C ATOM 0 H ALA A 104 6.330 -3.683 4.515 1.00 0.00 H new ATOM 0 HA ALA A 104 7.189 -5.083 2.258 1.00 0.00 H new ATOM 0 HB1 ALA A 104 9.396 -4.056 2.810 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.063 -2.888 2.969 1.00 0.00 H new ATOM 0 HB3 ALA A 104 8.775 -3.628 4.422 1.00 0.00 H new ATOM 1607 N GLY A 105 8.758 -6.966 2.836 1.00 0.00 N ATOM 1608 CA GLY A 105 9.447 -8.206 3.175 1.00 0.00 C ATOM 1609 C GLY A 105 8.611 -9.453 2.905 1.00 0.00 C ATOM 1610 O GLY A 105 9.147 -10.488 2.505 1.00 0.00 O ATOM 0 H GLY A 105 8.794 -6.716 1.848 1.00 0.00 H new ATOM 0 HA2 GLY A 105 10.373 -8.267 2.604 1.00 0.00 H new ATOM 0 HA3 GLY A 105 9.724 -8.184 4.229 1.00 0.00 H new ATOM 1614 N LYS A 106 7.300 -9.363 3.127 1.00 0.00 N ATOM 1615 CA LYS A 106 6.399 -10.499 2.899 1.00 0.00 C ATOM 1616 C LYS A 106 6.069 -10.666 1.409 1.00 0.00 C ATOM 1617 O LYS A 106 6.620 -11.539 0.731 1.00 0.00 O ATOM 1618 CB LYS A 106 5.105 -10.327 3.706 1.00 0.00 C ATOM 1619 CG LYS A 106 5.329 -10.175 5.206 1.00 0.00 C ATOM 1620 CD LYS A 106 4.005 -10.111 5.961 1.00 0.00 C ATOM 1621 CE LYS A 106 4.206 -9.901 7.456 1.00 0.00 C ATOM 1622 NZ LYS A 106 2.917 -9.926 8.194 1.00 0.00 N ATOM 0 H LYS A 106 6.836 -8.519 3.464 1.00 0.00 H new ATOM 0 HA LYS A 106 6.914 -11.399 3.234 1.00 0.00 H new ATOM 0 HB2 LYS A 106 4.572 -9.450 3.337 1.00 0.00 H new ATOM 0 HB3 LYS A 106 4.461 -11.189 3.530 1.00 0.00 H new ATOM 0 HG2 LYS A 106 5.920 -11.014 5.574 1.00 0.00 H new ATOM 0 HG3 LYS A 106 5.905 -9.270 5.400 1.00 0.00 H new ATOM 0 HD2 LYS A 106 3.399 -9.299 5.560 1.00 0.00 H new ATOM 0 HD3 LYS A 106 3.450 -11.035 5.797 1.00 0.00 H new ATOM 0 HE2 LYS A 106 4.864 -10.677 7.847 1.00 0.00 H new ATOM 0 HE3 LYS A 106 4.704 -8.946 7.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 3.095 -9.780 9.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 2.299 -9.169 7.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 2.454 -10.847 8.053 1.00 0.00 H new ATOM 1636 N GLU A 107 5.171 -9.815 0.909 1.00 0.00 N ATOM 1637 CA GLU A 107 4.741 -9.859 -0.501 1.00 0.00 C ATOM 1638 C GLU A 107 3.758 -8.722 -0.893 1.00 0.00 C ATOM 1639 O GLU A 107 3.778 -8.280 -2.031 1.00 0.00 O ATOM 1640 CB GLU A 107 4.162 -11.246 -0.877 1.00 0.00 C ATOM 1641 CG GLU A 107 2.998 -11.743 -0.019 1.00 0.00 C ATOM 1642 CD GLU A 107 2.599 -13.177 -0.332 1.00 0.00 C ATOM 1643 OE1 GLU A 107 3.405 -14.093 -0.064 1.00 0.00 O ATOM 1644 OE2 GLU A 107 1.480 -13.402 -0.846 1.00 0.00 O ATOM 0 H GLU A 107 4.722 -9.082 1.458 1.00 0.00 H new ATOM 0 HA GLU A 107 5.646 -9.690 -1.085 1.00 0.00 H new ATOM 0 HB2 GLU A 107 3.832 -11.210 -1.915 1.00 0.00 H new ATOM 0 HB3 GLU A 107 4.966 -11.980 -0.823 1.00 0.00 H new ATOM 0 HG2 GLU A 107 3.272 -11.669 1.033 1.00 0.00 H new ATOM 0 HG3 GLU A 107 2.138 -11.091 -0.171 1.00 0.00 H new ATOM 1651 N PRO A 108 2.860 -8.246 0.001 1.00 0.00 N ATOM 1652 CA PRO A 108 1.947 -7.106 -0.307 1.00 0.00 C ATOM 1653 C PRO A 108 2.625 -5.737 -0.473 1.00 0.00 C ATOM 1654 O PRO A 108 3.570 -5.407 0.240 1.00 0.00 O ATOM 1655 CB PRO A 108 0.990 -7.112 0.895 1.00 0.00 C ATOM 1656 CG PRO A 108 1.067 -8.519 1.353 1.00 0.00 C ATOM 1657 CD PRO A 108 2.527 -8.813 1.312 1.00 0.00 C ATOM 0 HA PRO A 108 1.472 -7.242 -1.279 1.00 0.00 H new ATOM 0 HB2 PRO A 108 1.306 -6.414 1.670 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -0.024 -6.832 0.609 1.00 0.00 H new ATOM 0 HG2 PRO A 108 0.661 -8.638 2.357 1.00 0.00 H new ATOM 0 HG3 PRO A 108 0.504 -9.186 0.700 1.00 0.00 H new ATOM 0 HD2 PRO A 108 3.072 -8.334 2.125 1.00 0.00 H new ATOM 0 HD3 PRO A 108 2.740 -9.880 1.371 1.00 0.00 H new ATOM 1665 N ALA A 109 2.094 -4.949 -1.430 1.00 0.00 N ATOM 1666 CA ALA A 109 2.597 -3.582 -1.739 1.00 0.00 C ATOM 1667 C ALA A 109 2.002 -3.026 -3.056 1.00 0.00 C ATOM 1668 O ALA A 109 2.257 -3.585 -4.120 1.00 0.00 O ATOM 1669 CB ALA A 109 4.120 -3.561 -1.835 1.00 0.00 C ATOM 0 H ALA A 109 1.307 -5.235 -2.012 1.00 0.00 H new ATOM 0 HA ALA A 109 2.275 -2.945 -0.915 1.00 0.00 H new ATOM 0 HB1 ALA A 109 4.456 -2.549 -2.062 1.00 0.00 H new ATOM 0 HB2 ALA A 109 4.549 -3.882 -0.886 1.00 0.00 H new ATOM 0 HB3 ALA A 109 4.444 -4.237 -2.626 1.00 0.00 H new