USER MOD reduce.3.24.130724 H: found=0, std=0, add=850, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 846 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 37 ASN : amide:sc= 1.68 K(o=-0.96,f=-6.9) USER MOD Set 1.2: A 77 HIS : no HE2:sc= -3.08 K(o=-0.96,f=-12!) USER MOD Set 1.3: A 81 HIS : no HE2:sc= 1.9 K(o=-0.96,f=-18!) USER MOD Set 1.4: A 100 HIS : +bothHN:sc= -1.47! C(o=-0.96!,f=-17!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.259 K(o=-0.26,f=-0.89) USER MOD Single : A 13 GLN : amide:sc= 0.0325 X(o=0.032,f=-0.049) USER MOD Single : A 16 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0991) USER MOD Single : A 19 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0557) USER MOD Single : A 23 LYS NZ :NH3+ -116:sc= 0.639 (180deg=-0.43) USER MOD Single : A 24 LYS NZ :NH3+ 171:sc= 1.31 (180deg=1.09) USER MOD Single : A 26 LYS NZ :NH3+ -163:sc= -0.139 (180deg=-0.554) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 38 GLN : amide:sc= -0.153 K(o=-0.15,f=-2.7!) USER MOD Single : A 42 LYS NZ :NH3+ 177:sc= 1.14 (180deg=0.937) USER MOD Single : A 45 LYS NZ :NH3+ -144:sc= 1.26 (180deg=-0.103!) USER MOD Single : A 46 GLN : amide:sc= -0.124 K(o=-0.12,f=-0.64) USER MOD Single : A 49 LYS NZ :NH3+ -166:sc= -0.0587 (180deg=-0.301) USER MOD Single : A 51 TYR OH : rot 150:sc= -0.0287 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 169:sc= 0.837 (180deg=0.694) USER MOD Single : A 60 ASN : amide:sc= 0.632 K(o=0.63,f=-5.1!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.686 X(o=-0.69,f=-0.21) USER MOD Single : A 69 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00698) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0619) USER MOD Single : A 92 GLN : amide:sc= -1.07 K(o=-1.1,f=-5.6!) USER MOD Single : A 95 SER OG : rot 74:sc= 0.343 USER MOD Single : A 98 GLN : amide:sc=-0.00445 K(o=-0.0044,f=-2.2!) USER MOD Single : A 99 GLN : amide:sc= -0.0157 X(o=-0.016,f=-0.44) USER MOD Single : A 102 GLN : amide:sc= -0.143 X(o=-0.14,f=-0.1) USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 107 HIS : no HE2:sc= -3.34 K(o=-3.3,f=-13!) USER MOD ----------------------------------------------------------------- ATOM 105 N LEU A 7 -10.169 -7.165 -2.766 1.00 0.00 N ATOM 106 CA LEU A 7 -9.325 -6.323 -1.922 1.00 0.00 C ATOM 107 C LEU A 7 -7.925 -6.192 -2.510 1.00 0.00 C ATOM 108 O LEU A 7 -7.299 -5.135 -2.418 1.00 0.00 O ATOM 109 CB LEU A 7 -9.219 -6.907 -0.508 1.00 0.00 C ATOM 110 CG LEU A 7 -10.536 -7.056 0.251 1.00 0.00 C ATOM 111 CD1 LEU A 7 -10.290 -7.675 1.617 1.00 0.00 C ATOM 112 CD2 LEU A 7 -11.224 -5.713 0.393 1.00 0.00 C ATOM 0 HA LEU A 7 -9.789 -5.338 -1.875 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.747 -7.887 -0.575 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -8.554 -6.272 0.078 1.00 0.00 H new ATOM 0 HG LEU A 7 -11.190 -7.717 -0.317 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -11.237 -7.775 2.147 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.837 -8.659 1.494 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -9.619 -7.036 2.191 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -12.160 -5.840 0.936 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -10.576 -5.028 0.941 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -11.431 -5.304 -0.596 1.00 0.00 H new ATOM 124 N LEU A 8 -7.463 -7.266 -3.141 1.00 0.00 N ATOM 125 CA LEU A 8 -6.094 -7.354 -3.634 1.00 0.00 C ATOM 126 C LEU A 8 -5.778 -6.251 -4.636 1.00 0.00 C ATOM 127 O LEU A 8 -4.639 -5.799 -4.717 1.00 0.00 O ATOM 128 CB LEU A 8 -5.852 -8.723 -4.273 1.00 0.00 C ATOM 129 CG LEU A 8 -6.055 -9.921 -3.340 1.00 0.00 C ATOM 130 CD1 LEU A 8 -5.815 -11.226 -4.086 1.00 0.00 C ATOM 131 CD2 LEU A 8 -5.139 -9.819 -2.128 1.00 0.00 C ATOM 0 H LEU A 8 -8.025 -8.097 -3.325 1.00 0.00 H new ATOM 0 HA LEU A 8 -5.429 -7.226 -2.780 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.520 -8.831 -5.128 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.833 -8.751 -4.659 1.00 0.00 H new ATOM 0 HG LEU A 8 -7.087 -9.911 -2.989 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.964 -12.066 -3.407 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.515 -11.304 -4.918 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.794 -11.244 -4.468 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.299 -10.679 -1.478 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.100 -9.801 -2.458 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.362 -8.904 -1.580 1.00 0.00 H new ATOM 143 N LYS A 9 -6.784 -5.807 -5.383 1.00 0.00 N ATOM 144 CA LYS A 9 -6.580 -4.778 -6.399 1.00 0.00 C ATOM 145 C LYS A 9 -6.035 -3.496 -5.774 1.00 0.00 C ATOM 146 O LYS A 9 -5.212 -2.809 -6.370 1.00 0.00 O ATOM 147 CB LYS A 9 -7.889 -4.451 -7.120 1.00 0.00 C ATOM 148 CG LYS A 9 -8.599 -5.647 -7.735 1.00 0.00 C ATOM 149 CD LYS A 9 -9.800 -5.202 -8.558 1.00 0.00 C ATOM 150 CE LYS A 9 -10.776 -4.379 -7.727 1.00 0.00 C ATOM 151 NZ LYS A 9 -11.726 -3.616 -8.577 1.00 0.00 N ATOM 0 H LYS A 9 -7.745 -6.141 -5.305 1.00 0.00 H new ATOM 0 HA LYS A 9 -5.859 -5.172 -7.115 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.565 -3.970 -6.413 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -7.682 -3.726 -7.907 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -7.905 -6.201 -8.367 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -8.925 -6.326 -6.947 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -9.460 -4.613 -9.410 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -10.311 -6.077 -8.959 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -11.334 -5.040 -7.063 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -10.220 -3.687 -7.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -12.372 -3.070 -7.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -11.196 -2.966 -9.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -12.276 -4.277 -9.162 1.00 0.00 H new ATOM 165 N ALA A 10 -6.500 -3.188 -4.568 1.00 0.00 N ATOM 166 CA ALA A 10 -6.104 -1.965 -3.884 1.00 0.00 C ATOM 167 C ALA A 10 -4.644 -2.032 -3.451 1.00 0.00 C ATOM 168 O ALA A 10 -3.876 -1.091 -3.665 1.00 0.00 O ATOM 169 CB ALA A 10 -7.007 -1.719 -2.684 1.00 0.00 C ATOM 0 H ALA A 10 -7.153 -3.771 -4.044 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.211 -1.132 -4.579 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.701 -0.802 -2.181 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.040 -1.622 -3.019 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.928 -2.557 -1.991 1.00 0.00 H new ATOM 175 N GLU A 11 -4.269 -3.157 -2.858 1.00 0.00 N ATOM 176 CA GLU A 11 -2.900 -3.365 -2.407 1.00 0.00 C ATOM 177 C GLU A 11 -1.953 -3.432 -3.610 1.00 0.00 C ATOM 178 O GLU A 11 -0.867 -2.853 -3.595 1.00 0.00 O ATOM 179 CB GLU A 11 -2.821 -4.651 -1.572 1.00 0.00 C ATOM 180 CG GLU A 11 -1.486 -4.863 -0.872 1.00 0.00 C ATOM 181 CD GLU A 11 -1.155 -3.772 0.130 1.00 0.00 C ATOM 182 OE1 GLU A 11 -0.878 -2.637 -0.262 1.00 0.00 O ATOM 183 OE2 GLU A 11 -1.138 -4.040 1.343 1.00 0.00 O ATOM 0 H GLU A 11 -4.895 -3.942 -2.678 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.593 -2.527 -1.782 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.612 -4.633 -0.822 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.017 -5.504 -2.221 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.501 -5.825 -0.360 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.695 -4.912 -1.620 1.00 0.00 H new ATOM 190 N GLN A 12 -2.391 -4.119 -4.661 1.00 0.00 N ATOM 191 CA GLN A 12 -1.618 -4.226 -5.890 1.00 0.00 C ATOM 192 C GLN A 12 -1.463 -2.861 -6.564 1.00 0.00 C ATOM 193 O GLN A 12 -0.421 -2.563 -7.148 1.00 0.00 O ATOM 194 CB GLN A 12 -2.297 -5.211 -6.844 1.00 0.00 C ATOM 195 CG GLN A 12 -2.204 -6.662 -6.397 1.00 0.00 C ATOM 196 CD GLN A 12 -0.772 -7.144 -6.245 1.00 0.00 C ATOM 197 OE1 GLN A 12 0.133 -6.674 -6.932 1.00 0.00 O ATOM 198 NE2 GLN A 12 -0.558 -8.095 -5.349 1.00 0.00 N ATOM 0 H GLN A 12 -3.284 -4.612 -4.684 1.00 0.00 H new ATOM 0 HA GLN A 12 -0.623 -4.593 -5.640 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -3.347 -4.938 -6.945 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -1.846 -5.115 -7.832 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -2.724 -6.778 -5.446 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -2.719 -7.293 -7.121 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -1.334 -8.460 -4.798 1.00 0.00 H new ATOM 0 HE22 GLN A 12 0.383 -8.462 -5.210 1.00 0.00 H new ATOM 207 N GLN A 13 -2.503 -2.038 -6.471 1.00 0.00 N ATOM 208 CA GLN A 13 -2.482 -0.696 -7.048 1.00 0.00 C ATOM 209 C GLN A 13 -1.368 0.134 -6.431 1.00 0.00 C ATOM 210 O GLN A 13 -0.609 0.796 -7.145 1.00 0.00 O ATOM 211 CB GLN A 13 -3.827 -0.001 -6.825 1.00 0.00 C ATOM 212 CG GLN A 13 -3.923 1.383 -7.448 1.00 0.00 C ATOM 213 CD GLN A 13 -3.813 1.353 -8.961 1.00 0.00 C ATOM 214 OE1 GLN A 13 -4.814 1.223 -9.667 1.00 0.00 O ATOM 215 NE2 GLN A 13 -2.598 1.490 -9.470 1.00 0.00 N ATOM 0 H GLN A 13 -3.375 -2.278 -5.999 1.00 0.00 H new ATOM 0 HA GLN A 13 -2.301 -0.788 -8.119 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -4.620 -0.627 -7.234 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -4.008 0.082 -5.753 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -4.872 1.839 -7.166 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -3.133 2.015 -7.043 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -1.794 1.595 -8.851 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -2.466 1.490 -10.481 1.00 0.00 H new ATOM 224 N GLY A 14 -1.273 0.085 -5.107 1.00 0.00 N ATOM 225 CA GLY A 14 -0.221 0.799 -4.413 1.00 0.00 C ATOM 226 C GLY A 14 1.152 0.334 -4.846 1.00 0.00 C ATOM 227 O GLY A 14 2.013 1.150 -5.162 1.00 0.00 O ATOM 0 H GLY A 14 -1.907 -0.437 -4.503 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.320 1.868 -4.603 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.332 0.655 -3.338 1.00 0.00 H new ATOM 231 N ILE A 15 1.331 -0.982 -4.901 1.00 0.00 N ATOM 232 CA ILE A 15 2.594 -1.580 -5.324 1.00 0.00 C ATOM 233 C ILE A 15 2.980 -1.115 -6.727 1.00 0.00 C ATOM 234 O ILE A 15 4.134 -0.765 -6.978 1.00 0.00 O ATOM 235 CB ILE A 15 2.517 -3.127 -5.302 1.00 0.00 C ATOM 236 CG1 ILE A 15 2.221 -3.625 -3.885 1.00 0.00 C ATOM 237 CG2 ILE A 15 3.807 -3.744 -5.831 1.00 0.00 C ATOM 238 CD1 ILE A 15 2.060 -5.129 -3.788 1.00 0.00 C ATOM 0 H ILE A 15 0.610 -1.661 -4.656 1.00 0.00 H new ATOM 0 HA ILE A 15 3.356 -1.252 -4.617 1.00 0.00 H new ATOM 0 HB ILE A 15 1.703 -3.438 -5.956 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.029 -3.312 -3.223 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.310 -3.147 -3.525 1.00 0.00 H new ATOM 0 HG21 ILE A 15 3.728 -4.831 -5.805 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.973 -3.416 -6.857 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.644 -3.426 -5.209 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.852 -5.407 -2.755 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.233 -5.448 -4.423 1.00 0.00 H new ATOM 0 HD13 ILE A 15 2.978 -5.615 -4.117 1.00 0.00 H new ATOM 250 N LYS A 16 2.007 -1.095 -7.634 1.00 0.00 N ATOM 251 CA LYS A 16 2.250 -0.669 -9.005 1.00 0.00 C ATOM 252 C LYS A 16 2.768 0.768 -9.032 1.00 0.00 C ATOM 253 O LYS A 16 3.746 1.070 -9.718 1.00 0.00 O ATOM 254 CB LYS A 16 0.967 -0.807 -9.836 1.00 0.00 C ATOM 255 CG LYS A 16 1.185 -0.709 -11.342 1.00 0.00 C ATOM 256 CD LYS A 16 1.317 0.731 -11.818 1.00 0.00 C ATOM 257 CE LYS A 16 1.780 0.801 -13.266 1.00 0.00 C ATOM 258 NZ LYS A 16 0.905 0.012 -14.171 1.00 0.00 N ATOM 0 H LYS A 16 1.043 -1.369 -7.442 1.00 0.00 H new ATOM 0 HA LYS A 16 3.013 -1.311 -9.445 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.502 -1.766 -9.609 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.264 -0.032 -9.531 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.085 -1.262 -11.613 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.351 -1.184 -11.859 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.357 1.238 -11.717 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.026 1.262 -11.182 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.794 1.841 -13.592 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.803 0.431 -13.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.127 0.246 -15.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.065 -1.003 -14.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.091 0.240 -13.977 1.00 0.00 H new ATOM 272 N ILE A 17 2.113 1.643 -8.276 1.00 0.00 N ATOM 273 CA ILE A 17 2.529 3.041 -8.191 1.00 0.00 C ATOM 274 C ILE A 17 3.941 3.147 -7.612 1.00 0.00 C ATOM 275 O ILE A 17 4.766 3.922 -8.099 1.00 0.00 O ATOM 276 CB ILE A 17 1.551 3.874 -7.331 1.00 0.00 C ATOM 277 CG1 ILE A 17 0.137 3.798 -7.911 1.00 0.00 C ATOM 278 CG2 ILE A 17 2.018 5.322 -7.256 1.00 0.00 C ATOM 279 CD1 ILE A 17 -0.905 4.505 -7.069 1.00 0.00 C ATOM 0 H ILE A 17 1.294 1.411 -7.714 1.00 0.00 H new ATOM 0 HA ILE A 17 2.522 3.444 -9.204 1.00 0.00 H new ATOM 0 HB ILE A 17 1.534 3.462 -6.322 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.140 4.233 -8.910 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.146 2.751 -8.020 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.321 5.898 -6.648 1.00 0.00 H new ATOM 0 HG22 ILE A 17 3.010 5.361 -6.806 1.00 0.00 H new ATOM 0 HG23 ILE A 17 2.058 5.744 -8.260 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.882 4.409 -7.543 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -0.937 4.055 -6.077 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.647 5.560 -6.981 1.00 0.00 H new ATOM 291 N LEU A 18 4.214 2.340 -6.589 1.00 0.00 N ATOM 292 CA LEU A 18 5.522 2.315 -5.937 1.00 0.00 C ATOM 293 C LEU A 18 6.633 1.994 -6.939 1.00 0.00 C ATOM 294 O LEU A 18 7.731 2.548 -6.860 1.00 0.00 O ATOM 295 CB LEU A 18 5.528 1.281 -4.806 1.00 0.00 C ATOM 296 CG LEU A 18 4.530 1.538 -3.672 1.00 0.00 C ATOM 297 CD1 LEU A 18 4.562 0.394 -2.672 1.00 0.00 C ATOM 298 CD2 LEU A 18 4.823 2.860 -2.977 1.00 0.00 C ATOM 0 H LEU A 18 3.539 1.688 -6.190 1.00 0.00 H new ATOM 0 HA LEU A 18 5.710 3.305 -5.523 1.00 0.00 H new ATOM 0 HB2 LEU A 18 5.321 0.300 -5.233 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.531 1.239 -4.381 1.00 0.00 H new ATOM 0 HG LEU A 18 3.531 1.598 -4.105 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.848 0.590 -1.872 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.297 -0.536 -3.175 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.564 0.307 -2.251 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.100 3.018 -2.176 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.829 2.836 -2.558 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.750 3.674 -3.698 1.00 0.00 H new ATOM 310 N LYS A 19 6.337 1.107 -7.883 1.00 0.00 N ATOM 311 CA LYS A 19 7.300 0.723 -8.911 1.00 0.00 C ATOM 312 C LYS A 19 7.654 1.907 -9.805 1.00 0.00 C ATOM 313 O LYS A 19 8.821 2.110 -10.153 1.00 0.00 O ATOM 314 CB LYS A 19 6.738 -0.406 -9.778 1.00 0.00 C ATOM 315 CG LYS A 19 6.428 -1.681 -9.012 1.00 0.00 C ATOM 316 CD LYS A 19 5.779 -2.725 -9.912 1.00 0.00 C ATOM 317 CE LYS A 19 6.721 -3.188 -11.011 1.00 0.00 C ATOM 318 NZ LYS A 19 7.849 -3.995 -10.472 1.00 0.00 N ATOM 0 H LYS A 19 5.434 0.638 -7.958 1.00 0.00 H new ATOM 0 HA LYS A 19 8.201 0.381 -8.402 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.827 -0.057 -10.265 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.454 -0.634 -10.567 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.347 -2.085 -8.587 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.764 -1.454 -8.178 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.472 -3.582 -9.312 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.876 -2.309 -10.359 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.166 -3.780 -11.739 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.116 -2.321 -11.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.401 -4.390 -11.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.462 -3.389 -9.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.474 -4.770 -9.889 1.00 0.00 H new ATOM 332 N GLU A 20 6.642 2.689 -10.170 1.00 0.00 N ATOM 333 CA GLU A 20 6.831 3.827 -11.063 1.00 0.00 C ATOM 334 C GLU A 20 7.682 4.902 -10.395 1.00 0.00 C ATOM 335 O GLU A 20 8.475 5.579 -11.053 1.00 0.00 O ATOM 336 CB GLU A 20 5.480 4.419 -11.483 1.00 0.00 C ATOM 337 CG GLU A 20 4.543 3.415 -12.138 1.00 0.00 C ATOM 338 CD GLU A 20 5.179 2.686 -13.307 1.00 0.00 C ATOM 339 OE1 GLU A 20 5.778 3.347 -14.180 1.00 0.00 O ATOM 340 OE2 GLU A 20 5.070 1.445 -13.372 1.00 0.00 O ATOM 0 H GLU A 20 5.680 2.554 -9.860 1.00 0.00 H new ATOM 0 HA GLU A 20 7.350 3.471 -11.953 1.00 0.00 H new ATOM 0 HB2 GLU A 20 4.990 4.839 -10.605 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.655 5.243 -12.175 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.222 2.686 -11.394 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.648 3.933 -12.483 1.00 0.00 H new ATOM 347 N VAL A 21 7.521 5.045 -9.084 1.00 0.00 N ATOM 348 CA VAL A 21 8.270 6.041 -8.320 1.00 0.00 C ATOM 349 C VAL A 21 9.773 5.784 -8.412 1.00 0.00 C ATOM 350 O VAL A 21 10.565 6.719 -8.531 1.00 0.00 O ATOM 351 CB VAL A 21 7.850 6.055 -6.835 1.00 0.00 C ATOM 352 CG1 VAL A 21 8.637 7.102 -6.058 1.00 0.00 C ATOM 353 CG2 VAL A 21 6.358 6.307 -6.701 1.00 0.00 C ATOM 0 H VAL A 21 6.878 4.484 -8.526 1.00 0.00 H new ATOM 0 HA VAL A 21 8.040 7.012 -8.758 1.00 0.00 H new ATOM 0 HB VAL A 21 8.074 5.075 -6.413 1.00 0.00 H new ATOM 0 HG11 VAL A 21 8.323 7.093 -5.014 1.00 0.00 H new ATOM 0 HG12 VAL A 21 9.702 6.876 -6.119 1.00 0.00 H new ATOM 0 HG13 VAL A 21 8.450 8.088 -6.484 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.083 6.313 -5.646 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.110 7.271 -7.146 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.808 5.518 -7.215 1.00 0.00 H new ATOM 363 N LEU A 22 10.154 4.512 -8.370 1.00 0.00 N ATOM 364 CA LEU A 22 11.558 4.123 -8.471 1.00 0.00 C ATOM 365 C LEU A 22 12.155 4.606 -9.789 1.00 0.00 C ATOM 366 O LEU A 22 13.324 4.987 -9.854 1.00 0.00 O ATOM 367 CB LEU A 22 11.702 2.602 -8.359 1.00 0.00 C ATOM 368 CG LEU A 22 11.244 2.001 -7.028 1.00 0.00 C ATOM 369 CD1 LEU A 22 11.380 0.488 -7.053 1.00 0.00 C ATOM 370 CD2 LEU A 22 12.046 2.583 -5.874 1.00 0.00 C ATOM 0 H LEU A 22 9.508 3.729 -8.266 1.00 0.00 H new ATOM 0 HA LEU A 22 12.100 4.590 -7.649 1.00 0.00 H new ATOM 0 HB2 LEU A 22 11.132 2.139 -9.164 1.00 0.00 H new ATOM 0 HB3 LEU A 22 12.748 2.339 -8.517 1.00 0.00 H new ATOM 0 HG LEU A 22 10.194 2.254 -6.882 1.00 0.00 H new ATOM 0 HD11 LEU A 22 11.050 0.077 -6.099 1.00 0.00 H new ATOM 0 HD12 LEU A 22 10.765 0.081 -7.856 1.00 0.00 H new ATOM 0 HD13 LEU A 22 12.423 0.219 -7.223 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.706 2.144 -4.936 1.00 0.00 H new ATOM 0 HD22 LEU A 22 13.103 2.360 -6.017 1.00 0.00 H new ATOM 0 HD23 LEU A 22 11.904 3.663 -5.841 1.00 0.00 H new ATOM 382 N LYS A 23 11.341 4.587 -10.834 1.00 0.00 N ATOM 383 CA LYS A 23 11.770 5.038 -12.152 1.00 0.00 C ATOM 384 C LYS A 23 11.910 6.558 -12.173 1.00 0.00 C ATOM 385 O LYS A 23 12.876 7.103 -12.713 1.00 0.00 O ATOM 386 CB LYS A 23 10.754 4.602 -13.208 1.00 0.00 C ATOM 387 CG LYS A 23 10.379 3.134 -13.118 1.00 0.00 C ATOM 388 CD LYS A 23 9.244 2.794 -14.068 1.00 0.00 C ATOM 389 CE LYS A 23 8.725 1.384 -13.839 1.00 0.00 C ATOM 390 NZ LYS A 23 7.599 1.055 -14.750 1.00 0.00 N ATOM 0 H LYS A 23 10.375 4.263 -10.795 1.00 0.00 H new ATOM 0 HA LYS A 23 12.738 4.590 -12.375 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.853 5.206 -13.105 1.00 0.00 H new ATOM 0 HB3 LYS A 23 11.162 4.805 -14.198 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.248 2.520 -13.352 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.085 2.894 -12.096 1.00 0.00 H new ATOM 0 HD2 LYS A 23 8.431 3.508 -13.934 1.00 0.00 H new ATOM 0 HD3 LYS A 23 9.589 2.893 -15.097 1.00 0.00 H new ATOM 0 HE2 LYS A 23 9.535 0.670 -13.990 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.397 1.281 -12.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.736 0.894 -14.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.443 1.845 -15.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.828 0.195 -15.289 1.00 0.00 H new ATOM 404 N LYS A 24 10.941 7.234 -11.567 1.00 0.00 N ATOM 405 CA LYS A 24 10.908 8.692 -11.537 1.00 0.00 C ATOM 406 C LYS A 24 12.040 9.258 -10.689 1.00 0.00 C ATOM 407 O LYS A 24 12.422 10.420 -10.840 1.00 0.00 O ATOM 408 CB LYS A 24 9.565 9.176 -10.988 1.00 0.00 C ATOM 409 CG LYS A 24 8.378 8.796 -11.851 1.00 0.00 C ATOM 410 CD LYS A 24 8.435 9.471 -13.207 1.00 0.00 C ATOM 411 CE LYS A 24 7.301 9.005 -14.103 1.00 0.00 C ATOM 412 NZ LYS A 24 7.358 9.639 -15.444 1.00 0.00 N ATOM 0 H LYS A 24 10.160 6.790 -11.085 1.00 0.00 H new ATOM 0 HA LYS A 24 11.036 9.048 -12.559 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.422 8.765 -9.989 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.595 10.261 -10.885 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.355 7.714 -11.983 1.00 0.00 H new ATOM 0 HG3 LYS A 24 7.454 9.075 -11.344 1.00 0.00 H new ATOM 0 HD2 LYS A 24 8.380 10.552 -13.080 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.391 9.254 -13.684 1.00 0.00 H new ATOM 0 HE2 LYS A 24 7.346 7.921 -14.212 1.00 0.00 H new ATOM 0 HE3 LYS A 24 6.346 9.239 -13.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 6.664 9.185 -16.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 7.138 10.652 -15.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 8.312 9.525 -15.842 1.00 0.00 H new ATOM 426 N ALA A 25 12.571 8.431 -9.800 1.00 0.00 N ATOM 427 CA ALA A 25 13.664 8.830 -8.927 1.00 0.00 C ATOM 428 C ALA A 25 14.888 9.254 -9.729 1.00 0.00 C ATOM 429 O ALA A 25 15.543 10.244 -9.403 1.00 0.00 O ATOM 430 CB ALA A 25 14.019 7.692 -7.985 1.00 0.00 C ATOM 0 H ALA A 25 12.258 7.470 -9.664 1.00 0.00 H new ATOM 0 HA ALA A 25 13.335 9.689 -8.343 1.00 0.00 H new ATOM 0 HB1 ALA A 25 14.838 8.000 -7.335 1.00 0.00 H new ATOM 0 HB2 ALA A 25 13.150 7.438 -7.378 1.00 0.00 H new ATOM 0 HB3 ALA A 25 14.324 6.821 -8.565 1.00 0.00 H new ATOM 436 N LYS A 26 15.201 8.496 -10.774 1.00 0.00 N ATOM 437 CA LYS A 26 16.345 8.808 -11.622 1.00 0.00 C ATOM 438 C LYS A 26 16.055 10.020 -12.501 1.00 0.00 C ATOM 439 O LYS A 26 16.970 10.738 -12.909 1.00 0.00 O ATOM 440 CB LYS A 26 16.736 7.599 -12.470 1.00 0.00 C ATOM 441 CG LYS A 26 17.128 6.398 -11.632 1.00 0.00 C ATOM 442 CD LYS A 26 17.807 5.319 -12.459 1.00 0.00 C ATOM 443 CE LYS A 26 18.235 4.146 -11.590 1.00 0.00 C ATOM 444 NZ LYS A 26 19.079 4.581 -10.442 1.00 0.00 N ATOM 0 H LYS A 26 14.681 7.664 -11.053 1.00 0.00 H new ATOM 0 HA LYS A 26 17.188 9.055 -10.977 1.00 0.00 H new ATOM 0 HB2 LYS A 26 15.901 7.329 -13.117 1.00 0.00 H new ATOM 0 HB3 LYS A 26 17.568 7.870 -13.120 1.00 0.00 H new ATOM 0 HG2 LYS A 26 17.798 6.717 -10.834 1.00 0.00 H new ATOM 0 HG3 LYS A 26 16.239 5.983 -11.156 1.00 0.00 H new ATOM 0 HD2 LYS A 26 17.126 4.970 -13.235 1.00 0.00 H new ATOM 0 HD3 LYS A 26 18.678 5.738 -12.963 1.00 0.00 H new ATOM 0 HE2 LYS A 26 17.351 3.631 -11.215 1.00 0.00 H new ATOM 0 HE3 LYS A 26 18.789 3.429 -12.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 19.581 3.759 -10.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 19.771 5.286 -10.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 18.475 5.002 -9.707 1.00 0.00 H new ATOM 458 N GLU A 27 14.777 10.241 -12.790 1.00 0.00 N ATOM 459 CA GLU A 27 14.355 11.425 -13.525 1.00 0.00 C ATOM 460 C GLU A 27 14.549 12.663 -12.654 1.00 0.00 C ATOM 461 O GLU A 27 15.024 13.697 -13.126 1.00 0.00 O ATOM 462 CB GLU A 27 12.894 11.288 -13.972 1.00 0.00 C ATOM 463 CG GLU A 27 12.682 10.189 -15.005 1.00 0.00 C ATOM 464 CD GLU A 27 11.230 10.028 -15.415 1.00 0.00 C ATOM 465 OE1 GLU A 27 10.558 11.048 -15.661 1.00 0.00 O ATOM 466 OE2 GLU A 27 10.756 8.871 -15.501 1.00 0.00 O ATOM 0 H GLU A 27 14.016 9.615 -12.526 1.00 0.00 H new ATOM 0 HA GLU A 27 14.967 11.529 -14.421 1.00 0.00 H new ATOM 0 HB2 GLU A 27 12.272 11.083 -13.101 1.00 0.00 H new ATOM 0 HB3 GLU A 27 12.558 12.238 -14.388 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.280 10.409 -15.889 1.00 0.00 H new ATOM 0 HG3 GLU A 27 13.046 9.244 -14.601 1.00 0.00 H new ATOM 473 N GLY A 28 14.201 12.533 -11.377 1.00 0.00 N ATOM 474 CA GLY A 28 14.458 13.586 -10.414 1.00 0.00 C ATOM 475 C GLY A 28 13.493 14.744 -10.529 1.00 0.00 C ATOM 476 O GLY A 28 13.772 15.843 -10.045 1.00 0.00 O ATOM 0 H GLY A 28 13.741 11.708 -10.991 1.00 0.00 H new ATOM 0 HA2 GLY A 28 14.400 13.172 -9.408 1.00 0.00 H new ATOM 0 HA3 GLY A 28 15.475 13.954 -10.550 1.00 0.00 H new ATOM 480 N ASP A 29 12.354 14.506 -11.163 1.00 0.00 N ATOM 481 CA ASP A 29 11.365 15.555 -11.352 1.00 0.00 C ATOM 482 C ASP A 29 10.381 15.585 -10.195 1.00 0.00 C ATOM 483 O ASP A 29 9.659 14.616 -9.951 1.00 0.00 O ATOM 484 CB ASP A 29 10.609 15.378 -12.667 1.00 0.00 C ATOM 485 CG ASP A 29 9.627 16.508 -12.903 1.00 0.00 C ATOM 486 OD1 ASP A 29 10.056 17.581 -13.378 1.00 0.00 O ATOM 487 OD2 ASP A 29 8.434 16.337 -12.601 1.00 0.00 O ATOM 0 H ASP A 29 12.093 13.600 -11.553 1.00 0.00 H new ATOM 0 HA ASP A 29 11.901 16.503 -11.387 1.00 0.00 H new ATOM 0 HB2 ASP A 29 11.319 15.334 -13.493 1.00 0.00 H new ATOM 0 HB3 ASP A 29 10.075 14.428 -12.655 1.00 0.00 H new ATOM 492 N GLU A 30 10.366 16.708 -9.496 1.00 0.00 N ATOM 493 CA GLU A 30 9.483 16.913 -8.352 1.00 0.00 C ATOM 494 C GLU A 30 8.018 16.729 -8.731 1.00 0.00 C ATOM 495 O GLU A 30 7.260 16.110 -7.997 1.00 0.00 O ATOM 496 CB GLU A 30 9.689 18.324 -7.796 1.00 0.00 C ATOM 497 CG GLU A 30 8.636 18.756 -6.787 1.00 0.00 C ATOM 498 CD GLU A 30 8.624 20.255 -6.580 1.00 0.00 C ATOM 499 OE1 GLU A 30 7.987 20.969 -7.388 1.00 0.00 O ATOM 500 OE2 GLU A 30 9.251 20.732 -5.616 1.00 0.00 O ATOM 0 H GLU A 30 10.966 17.507 -9.704 1.00 0.00 H new ATOM 0 HA GLU A 30 9.733 16.168 -7.597 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.671 18.377 -7.325 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.694 19.032 -8.625 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.653 18.430 -7.128 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.823 18.261 -5.834 1.00 0.00 H new ATOM 507 N GLN A 31 7.627 17.260 -9.880 1.00 0.00 N ATOM 508 CA GLN A 31 6.234 17.260 -10.279 1.00 0.00 C ATOM 509 C GLN A 31 5.729 15.836 -10.490 1.00 0.00 C ATOM 510 O GLN A 31 4.643 15.484 -10.031 1.00 0.00 O ATOM 511 CB GLN A 31 6.062 18.099 -11.542 1.00 0.00 C ATOM 512 CG GLN A 31 6.573 19.521 -11.376 1.00 0.00 C ATOM 513 CD GLN A 31 6.287 20.400 -12.573 1.00 0.00 C ATOM 514 OE1 GLN A 31 6.207 19.929 -13.708 1.00 0.00 O ATOM 515 NE2 GLN A 31 6.138 21.689 -12.323 1.00 0.00 N ATOM 0 H GLN A 31 8.259 17.696 -10.551 1.00 0.00 H new ATOM 0 HA GLN A 31 5.637 17.703 -9.482 1.00 0.00 H new ATOM 0 HB2 GLN A 31 6.592 17.621 -12.366 1.00 0.00 H new ATOM 0 HB3 GLN A 31 5.007 18.126 -11.814 1.00 0.00 H new ATOM 0 HG2 GLN A 31 6.116 19.963 -10.491 1.00 0.00 H new ATOM 0 HG3 GLN A 31 7.648 19.496 -11.201 1.00 0.00 H new ATOM 0 HE21 GLN A 31 6.213 22.035 -11.366 1.00 0.00 H new ATOM 0 HE22 GLN A 31 5.948 22.338 -13.087 1.00 0.00 H new ATOM 524 N GLU A 32 6.524 15.022 -11.173 1.00 0.00 N ATOM 525 CA GLU A 32 6.204 13.608 -11.351 1.00 0.00 C ATOM 526 C GLU A 32 6.175 12.890 -10.005 1.00 0.00 C ATOM 527 O GLU A 32 5.234 12.156 -9.695 1.00 0.00 O ATOM 528 CB GLU A 32 7.241 12.938 -12.258 1.00 0.00 C ATOM 529 CG GLU A 32 7.233 13.449 -13.687 1.00 0.00 C ATOM 530 CD GLU A 32 6.021 12.989 -14.467 1.00 0.00 C ATOM 531 OE1 GLU A 32 4.925 13.548 -14.264 1.00 0.00 O ATOM 532 OE2 GLU A 32 6.160 12.064 -15.301 1.00 0.00 O ATOM 0 H GLU A 32 7.396 15.315 -11.614 1.00 0.00 H new ATOM 0 HA GLU A 32 5.219 13.540 -11.814 1.00 0.00 H new ATOM 0 HB2 GLU A 32 8.233 13.092 -11.834 1.00 0.00 H new ATOM 0 HB3 GLU A 32 7.061 11.863 -12.266 1.00 0.00 H new ATOM 0 HG2 GLU A 32 7.262 14.539 -13.679 1.00 0.00 H new ATOM 0 HG3 GLU A 32 8.136 13.110 -14.194 1.00 0.00 H new ATOM 539 N LEU A 33 7.209 13.124 -9.212 1.00 0.00 N ATOM 540 CA LEU A 33 7.379 12.452 -7.930 1.00 0.00 C ATOM 541 C LEU A 33 6.291 12.833 -6.927 1.00 0.00 C ATOM 542 O LEU A 33 5.714 11.963 -6.272 1.00 0.00 O ATOM 543 CB LEU A 33 8.771 12.769 -7.376 1.00 0.00 C ATOM 544 CG LEU A 33 9.885 11.876 -7.929 1.00 0.00 C ATOM 545 CD1 LEU A 33 11.241 12.331 -7.424 1.00 0.00 C ATOM 546 CD2 LEU A 33 9.634 10.424 -7.548 1.00 0.00 C ATOM 0 H LEU A 33 7.954 13.784 -9.437 1.00 0.00 H new ATOM 0 HA LEU A 33 7.285 11.378 -8.092 1.00 0.00 H new ATOM 0 HB2 LEU A 33 9.010 13.809 -7.599 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.748 12.672 -6.291 1.00 0.00 H new ATOM 0 HG LEU A 33 9.883 11.957 -9.016 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.017 11.682 -7.830 1.00 0.00 H new ATOM 0 HD12 LEU A 33 11.423 13.357 -7.743 1.00 0.00 H new ATOM 0 HD13 LEU A 33 11.259 12.281 -6.335 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.433 9.800 -7.947 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.610 10.332 -6.462 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.679 10.099 -7.961 1.00 0.00 H new ATOM 558 N ALA A 34 5.998 14.121 -6.822 1.00 0.00 N ATOM 559 CA ALA A 34 4.969 14.595 -5.905 1.00 0.00 C ATOM 560 C ALA A 34 3.594 14.124 -6.354 1.00 0.00 C ATOM 561 O ALA A 34 2.730 13.822 -5.532 1.00 0.00 O ATOM 562 CB ALA A 34 5.005 16.113 -5.797 1.00 0.00 C ATOM 0 H ALA A 34 6.457 14.857 -7.359 1.00 0.00 H new ATOM 0 HA ALA A 34 5.170 14.176 -4.919 1.00 0.00 H new ATOM 0 HB1 ALA A 34 4.229 16.447 -5.108 1.00 0.00 H new ATOM 0 HB2 ALA A 34 5.980 16.428 -5.426 1.00 0.00 H new ATOM 0 HB3 ALA A 34 4.831 16.552 -6.779 1.00 0.00 H new ATOM 568 N ARG A 35 3.401 14.050 -7.666 1.00 0.00 N ATOM 569 CA ARG A 35 2.148 13.574 -8.230 1.00 0.00 C ATOM 570 C ARG A 35 1.943 12.107 -7.873 1.00 0.00 C ATOM 571 O ARG A 35 0.853 11.697 -7.476 1.00 0.00 O ATOM 572 CB ARG A 35 2.157 13.750 -9.745 1.00 0.00 C ATOM 573 CG ARG A 35 0.780 13.965 -10.340 1.00 0.00 C ATOM 574 CD ARG A 35 0.861 14.231 -11.833 1.00 0.00 C ATOM 575 NE ARG A 35 -0.413 14.689 -12.383 1.00 0.00 N ATOM 576 CZ ARG A 35 -0.561 15.176 -13.614 1.00 0.00 C ATOM 577 NH1 ARG A 35 0.497 15.312 -14.411 1.00 0.00 N ATOM 578 NH2 ARG A 35 -1.766 15.551 -14.033 1.00 0.00 N ATOM 0 H ARG A 35 4.100 14.315 -8.359 1.00 0.00 H new ATOM 0 HA ARG A 35 1.326 14.157 -7.814 1.00 0.00 H new ATOM 0 HB2 ARG A 35 2.790 14.600 -10.000 1.00 0.00 H new ATOM 0 HB3 ARG A 35 2.607 12.869 -10.202 1.00 0.00 H new ATOM 0 HG2 ARG A 35 0.161 13.086 -10.158 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.294 14.805 -9.844 1.00 0.00 H new ATOM 0 HD2 ARG A 35 1.628 14.981 -12.025 1.00 0.00 H new ATOM 0 HD3 ARG A 35 1.170 13.320 -12.346 1.00 0.00 H new ATOM 0 HE ARG A 35 -1.239 14.632 -11.788 1.00 0.00 H new ATOM 0 HH11 ARG A 35 1.423 15.043 -14.079 1.00 0.00 H new ATOM 0 HH12 ARG A 35 0.381 15.685 -15.353 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -2.571 15.465 -13.413 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -1.885 15.925 -14.975 1.00 0.00 H new ATOM 592 N LEU A 36 3.008 11.325 -8.000 1.00 0.00 N ATOM 593 CA LEU A 36 2.970 9.917 -7.635 1.00 0.00 C ATOM 594 C LEU A 36 2.763 9.751 -6.136 1.00 0.00 C ATOM 595 O LEU A 36 2.032 8.865 -5.697 1.00 0.00 O ATOM 596 CB LEU A 36 4.255 9.213 -8.069 1.00 0.00 C ATOM 597 CG LEU A 36 4.399 8.998 -9.576 1.00 0.00 C ATOM 598 CD1 LEU A 36 5.672 8.235 -9.878 1.00 0.00 C ATOM 599 CD2 LEU A 36 3.193 8.261 -10.137 1.00 0.00 C ATOM 0 H LEU A 36 3.910 11.644 -8.354 1.00 0.00 H new ATOM 0 HA LEU A 36 2.128 9.459 -8.153 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.107 9.796 -7.718 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.305 8.244 -7.573 1.00 0.00 H new ATOM 0 HG LEU A 36 4.453 9.975 -10.057 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.762 8.089 -10.954 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.530 8.801 -9.516 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.641 7.265 -9.382 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.320 8.120 -11.210 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.102 7.289 -9.652 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.291 8.845 -9.951 1.00 0.00 H new ATOM 611 N ASN A 37 3.407 10.612 -5.356 1.00 0.00 N ATOM 612 CA ASN A 37 3.240 10.606 -3.907 1.00 0.00 C ATOM 613 C ASN A 37 1.779 10.883 -3.552 1.00 0.00 C ATOM 614 O ASN A 37 1.217 10.265 -2.645 1.00 0.00 O ATOM 615 CB ASN A 37 4.157 11.653 -3.264 1.00 0.00 C ATOM 616 CG ASN A 37 4.180 11.573 -1.747 1.00 0.00 C ATOM 617 OD1 ASN A 37 4.967 10.828 -1.169 1.00 0.00 O ATOM 618 ND2 ASN A 37 3.338 12.358 -1.093 1.00 0.00 N ATOM 0 H ASN A 37 4.050 11.324 -5.703 1.00 0.00 H new ATOM 0 HA ASN A 37 3.515 9.625 -3.521 1.00 0.00 H new ATOM 0 HB2 ASN A 37 5.170 11.523 -3.644 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.829 12.648 -3.565 1.00 0.00 H new ATOM 0 HD21 ASN A 37 3.328 12.358 -0.073 1.00 0.00 H new ATOM 0 HD22 ASN A 37 2.699 12.963 -1.609 1.00 0.00 H new ATOM 625 N GLN A 38 1.169 11.809 -4.292 1.00 0.00 N ATOM 626 CA GLN A 38 -0.244 12.122 -4.148 1.00 0.00 C ATOM 627 C GLN A 38 -1.101 10.908 -4.501 1.00 0.00 C ATOM 628 O GLN A 38 -2.070 10.595 -3.806 1.00 0.00 O ATOM 629 CB GLN A 38 -0.599 13.302 -5.055 1.00 0.00 C ATOM 630 CG GLN A 38 -1.251 14.465 -4.332 1.00 0.00 C ATOM 631 CD GLN A 38 -2.647 14.145 -3.843 1.00 0.00 C ATOM 632 OE1 GLN A 38 -3.361 13.342 -4.439 1.00 0.00 O ATOM 633 NE2 GLN A 38 -3.052 14.785 -2.762 1.00 0.00 N ATOM 0 H GLN A 38 1.644 12.360 -5.006 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.445 12.390 -3.111 1.00 0.00 H new ATOM 0 HB2 GLN A 38 0.308 13.655 -5.545 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -1.270 12.954 -5.840 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -0.631 14.752 -3.483 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -1.294 15.325 -5.001 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -2.429 15.444 -2.296 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -3.988 14.620 -2.393 1.00 0.00 H new ATOM 642 N GLU A 39 -0.721 10.215 -5.573 1.00 0.00 N ATOM 643 CA GLU A 39 -1.425 9.012 -6.005 1.00 0.00 C ATOM 644 C GLU A 39 -1.421 7.958 -4.903 1.00 0.00 C ATOM 645 O GLU A 39 -2.451 7.360 -4.606 1.00 0.00 O ATOM 646 CB GLU A 39 -0.772 8.429 -7.263 1.00 0.00 C ATOM 647 CG GLU A 39 -1.011 9.238 -8.527 1.00 0.00 C ATOM 648 CD GLU A 39 -2.466 9.248 -8.937 1.00 0.00 C ATOM 649 OE1 GLU A 39 -3.049 8.157 -9.110 1.00 0.00 O ATOM 650 OE2 GLU A 39 -3.036 10.343 -9.097 1.00 0.00 O ATOM 0 H GLU A 39 0.074 10.469 -6.160 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.455 9.291 -6.229 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.302 8.348 -7.096 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -1.148 7.418 -7.417 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -0.674 10.262 -8.369 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.410 8.826 -9.338 1.00 0.00 H new ATOM 657 N ILE A 40 -0.258 7.761 -4.287 1.00 0.00 N ATOM 658 CA ILE A 40 -0.103 6.772 -3.227 1.00 0.00 C ATOM 659 C ILE A 40 -1.084 7.027 -2.087 1.00 0.00 C ATOM 660 O ILE A 40 -1.798 6.121 -1.662 1.00 0.00 O ATOM 661 CB ILE A 40 1.340 6.769 -2.663 1.00 0.00 C ATOM 662 CG1 ILE A 40 2.342 6.431 -3.770 1.00 0.00 C ATOM 663 CG2 ILE A 40 1.462 5.776 -1.513 1.00 0.00 C ATOM 664 CD1 ILE A 40 3.785 6.525 -3.330 1.00 0.00 C ATOM 0 H ILE A 40 0.594 8.277 -4.506 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.313 5.799 -3.670 1.00 0.00 H new ATOM 0 HB ILE A 40 1.565 7.765 -2.282 1.00 0.00 H new ATOM 0 HG12 ILE A 40 2.146 5.421 -4.130 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.183 7.106 -4.611 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.482 5.787 -1.129 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.772 6.055 -0.717 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.220 4.775 -1.869 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.437 6.272 -4.166 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.999 7.541 -2.997 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.961 5.830 -2.509 1.00 0.00 H new ATOM 676 N VAL A 41 -1.142 8.270 -1.622 1.00 0.00 N ATOM 677 CA VAL A 41 -1.968 8.616 -0.470 1.00 0.00 C ATOM 678 C VAL A 41 -3.442 8.278 -0.710 1.00 0.00 C ATOM 679 O VAL A 41 -4.039 7.521 0.053 1.00 0.00 O ATOM 680 CB VAL A 41 -1.841 10.121 -0.132 1.00 0.00 C ATOM 681 CG1 VAL A 41 -2.774 10.513 1.004 1.00 0.00 C ATOM 682 CG2 VAL A 41 -0.402 10.473 0.220 1.00 0.00 C ATOM 0 H VAL A 41 -0.628 9.054 -2.024 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.605 8.023 0.369 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.132 10.685 -1.018 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.661 11.576 1.217 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.805 10.309 0.715 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.525 9.936 1.895 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.334 11.535 0.454 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.086 9.890 1.085 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.246 10.246 -0.627 1.00 0.00 H new ATOM 692 N LYS A 42 -4.021 8.822 -1.775 1.00 0.00 N ATOM 693 CA LYS A 42 -5.433 8.583 -2.066 1.00 0.00 C ATOM 694 C LYS A 42 -5.708 7.123 -2.432 1.00 0.00 C ATOM 695 O LYS A 42 -6.751 6.575 -2.069 1.00 0.00 O ATOM 696 CB LYS A 42 -5.960 9.551 -3.132 1.00 0.00 C ATOM 697 CG LYS A 42 -5.120 9.646 -4.393 1.00 0.00 C ATOM 698 CD LYS A 42 -5.426 10.940 -5.131 1.00 0.00 C ATOM 699 CE LYS A 42 -4.592 11.090 -6.392 1.00 0.00 C ATOM 700 NZ LYS A 42 -5.109 10.255 -7.504 1.00 0.00 N ATOM 0 H LYS A 42 -3.543 9.425 -2.445 1.00 0.00 H new ATOM 0 HA LYS A 42 -5.986 8.782 -1.148 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.969 9.246 -3.409 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.037 10.545 -2.691 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.061 9.606 -4.137 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -5.324 8.793 -5.040 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -6.484 10.967 -5.391 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -5.239 11.787 -4.470 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.583 12.136 -6.698 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.560 10.811 -6.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -4.542 10.426 -8.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -5.046 9.250 -7.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -6.102 10.503 -7.692 1.00 0.00 H new ATOM 714 N ALA A 43 -4.773 6.488 -3.133 1.00 0.00 N ATOM 715 CA ALA A 43 -4.940 5.094 -3.532 1.00 0.00 C ATOM 716 C ALA A 43 -4.943 4.169 -2.319 1.00 0.00 C ATOM 717 O ALA A 43 -5.807 3.299 -2.197 1.00 0.00 O ATOM 718 CB ALA A 43 -3.852 4.673 -4.507 1.00 0.00 C ATOM 0 H ALA A 43 -3.897 6.914 -3.435 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.906 5.010 -4.030 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.999 3.630 -4.789 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.899 5.300 -5.398 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.876 4.787 -4.035 1.00 0.00 H new ATOM 724 N GLU A 44 -3.981 4.363 -1.419 1.00 0.00 N ATOM 725 CA GLU A 44 -3.887 3.533 -0.223 1.00 0.00 C ATOM 726 C GLU A 44 -5.055 3.811 0.721 1.00 0.00 C ATOM 727 O GLU A 44 -5.562 2.898 1.369 1.00 0.00 O ATOM 728 CB GLU A 44 -2.540 3.724 0.492 1.00 0.00 C ATOM 729 CG GLU A 44 -1.342 3.287 -0.348 1.00 0.00 C ATOM 730 CD GLU A 44 -0.257 2.597 0.460 1.00 0.00 C ATOM 731 OE1 GLU A 44 0.152 3.097 1.508 1.00 0.00 O ATOM 732 OE2 GLU A 44 0.213 1.518 0.060 1.00 0.00 O ATOM 0 H GLU A 44 -3.262 5.082 -1.495 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.943 2.491 -0.537 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.424 4.775 0.759 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.548 3.158 1.423 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.685 2.612 -1.132 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.916 4.160 -0.842 1.00 0.00 H new ATOM 739 N LYS A 45 -5.496 5.069 0.777 1.00 0.00 N ATOM 740 CA LYS A 45 -6.677 5.434 1.563 1.00 0.00 C ATOM 741 C LYS A 45 -7.900 4.662 1.082 1.00 0.00 C ATOM 742 O LYS A 45 -8.678 4.145 1.888 1.00 0.00 O ATOM 743 CB LYS A 45 -6.955 6.941 1.470 1.00 0.00 C ATOM 744 CG LYS A 45 -6.160 7.778 2.452 1.00 0.00 C ATOM 745 CD LYS A 45 -6.483 7.382 3.877 1.00 0.00 C ATOM 746 CE LYS A 45 -5.800 8.291 4.883 1.00 0.00 C ATOM 747 NZ LYS A 45 -6.043 7.854 6.281 1.00 0.00 N ATOM 0 H LYS A 45 -5.056 5.850 0.290 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.475 5.177 2.603 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.733 7.279 0.458 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.018 7.115 1.638 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.094 7.650 2.267 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.385 8.834 2.303 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.562 7.418 4.029 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.171 6.352 4.048 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.728 8.306 4.689 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.161 9.311 4.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.134 8.689 6.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.920 7.296 6.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.246 7.271 6.606 1.00 0.00 H new ATOM 761 N GLN A 46 -8.058 4.583 -0.235 1.00 0.00 N ATOM 762 CA GLN A 46 -9.142 3.818 -0.830 1.00 0.00 C ATOM 763 C GLN A 46 -9.005 2.351 -0.453 1.00 0.00 C ATOM 764 O GLN A 46 -9.988 1.684 -0.132 1.00 0.00 O ATOM 765 CB GLN A 46 -9.129 3.967 -2.351 1.00 0.00 C ATOM 766 CG GLN A 46 -10.319 3.313 -3.043 1.00 0.00 C ATOM 767 CD GLN A 46 -11.654 3.860 -2.571 1.00 0.00 C ATOM 768 OE1 GLN A 46 -11.766 5.022 -2.180 1.00 0.00 O ATOM 769 NE2 GLN A 46 -12.679 3.022 -2.603 1.00 0.00 N ATOM 0 H GLN A 46 -7.446 5.041 -0.910 1.00 0.00 H new ATOM 0 HA GLN A 46 -10.089 4.201 -0.450 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -9.112 5.027 -2.603 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -8.209 3.532 -2.742 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -10.232 3.461 -4.119 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -10.290 2.238 -2.865 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -12.546 2.066 -2.934 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -13.601 3.332 -2.297 1.00 0.00 H new ATOM 778 N GLY A 47 -7.771 1.861 -0.479 1.00 0.00 N ATOM 779 CA GLY A 47 -7.507 0.487 -0.107 1.00 0.00 C ATOM 780 C GLY A 47 -7.925 0.175 1.316 1.00 0.00 C ATOM 781 O GLY A 47 -8.608 -0.819 1.561 1.00 0.00 O ATOM 0 H GLY A 47 -6.946 2.395 -0.753 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -8.035 -0.178 -0.790 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.443 0.282 -0.222 1.00 0.00 H new ATOM 785 N VAL A 48 -7.544 1.038 2.251 1.00 0.00 N ATOM 786 CA VAL A 48 -7.909 0.860 3.651 1.00 0.00 C ATOM 787 C VAL A 48 -9.427 0.873 3.809 1.00 0.00 C ATOM 788 O VAL A 48 -9.989 0.074 4.557 1.00 0.00 O ATOM 789 CB VAL A 48 -7.287 1.956 4.545 1.00 0.00 C ATOM 790 CG1 VAL A 48 -7.695 1.765 5.996 1.00 0.00 C ATOM 791 CG2 VAL A 48 -5.768 1.957 4.418 1.00 0.00 C ATOM 0 H VAL A 48 -6.982 1.868 2.064 1.00 0.00 H new ATOM 0 HA VAL A 48 -7.516 -0.105 3.971 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.663 2.921 4.206 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.245 2.548 6.606 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -8.781 1.819 6.079 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.352 0.791 6.345 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.350 2.736 5.056 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.377 0.987 4.726 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -5.490 2.148 3.382 1.00 0.00 H new ATOM 801 N LYS A 49 -10.082 1.765 3.074 1.00 0.00 N ATOM 802 CA LYS A 49 -11.538 1.877 3.101 1.00 0.00 C ATOM 803 C LYS A 49 -12.200 0.542 2.752 1.00 0.00 C ATOM 804 O LYS A 49 -13.090 0.071 3.467 1.00 0.00 O ATOM 805 CB LYS A 49 -11.993 2.961 2.118 1.00 0.00 C ATOM 806 CG LYS A 49 -13.500 3.130 2.039 1.00 0.00 C ATOM 807 CD LYS A 49 -13.892 4.102 0.943 1.00 0.00 C ATOM 808 CE LYS A 49 -15.400 4.245 0.834 1.00 0.00 C ATOM 809 NZ LYS A 49 -16.067 2.955 0.507 1.00 0.00 N ATOM 0 H LYS A 49 -9.624 2.427 2.447 1.00 0.00 H new ATOM 0 HA LYS A 49 -11.842 2.152 4.111 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -11.546 3.912 2.409 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -11.612 2.720 1.126 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -13.967 2.163 1.853 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -13.878 3.488 2.997 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -13.447 5.077 1.144 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -13.489 3.759 -0.010 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -15.795 4.628 1.775 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -15.639 4.980 0.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -17.047 3.136 0.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -15.554 2.485 -0.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -16.067 2.341 1.347 1.00 0.00 H new ATOM 823 N VAL A 50 -11.760 -0.060 1.656 1.00 0.00 N ATOM 824 CA VAL A 50 -12.330 -1.318 1.192 1.00 0.00 C ATOM 825 C VAL A 50 -11.939 -2.474 2.115 1.00 0.00 C ATOM 826 O VAL A 50 -12.785 -3.280 2.507 1.00 0.00 O ATOM 827 CB VAL A 50 -11.895 -1.639 -0.255 1.00 0.00 C ATOM 828 CG1 VAL A 50 -12.657 -2.839 -0.792 1.00 0.00 C ATOM 829 CG2 VAL A 50 -12.094 -0.432 -1.159 1.00 0.00 C ATOM 0 H VAL A 50 -11.008 0.303 1.070 1.00 0.00 H new ATOM 0 HA VAL A 50 -13.414 -1.201 1.210 1.00 0.00 H new ATOM 0 HB VAL A 50 -10.833 -1.885 -0.242 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -12.335 -3.048 -1.812 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -12.458 -3.707 -0.164 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -13.726 -2.624 -0.785 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.781 -0.681 -2.173 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -13.147 -0.150 -1.163 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -11.497 0.402 -0.790 1.00 0.00 H new ATOM 839 N TYR A 51 -10.656 -2.537 2.469 1.00 0.00 N ATOM 840 CA TYR A 51 -10.144 -3.600 3.335 1.00 0.00 C ATOM 841 C TYR A 51 -10.855 -3.611 4.684 1.00 0.00 C ATOM 842 O TYR A 51 -11.261 -4.668 5.169 1.00 0.00 O ATOM 843 CB TYR A 51 -8.638 -3.440 3.560 1.00 0.00 C ATOM 844 CG TYR A 51 -7.771 -4.199 2.578 1.00 0.00 C ATOM 845 CD1 TYR A 51 -7.381 -5.506 2.840 1.00 0.00 C ATOM 846 CD2 TYR A 51 -7.328 -3.608 1.402 1.00 0.00 C ATOM 847 CE1 TYR A 51 -6.579 -6.205 1.957 1.00 0.00 C ATOM 848 CE2 TYR A 51 -6.523 -4.299 0.515 1.00 0.00 C ATOM 849 CZ TYR A 51 -6.152 -5.597 0.796 1.00 0.00 C ATOM 850 OH TYR A 51 -5.350 -6.290 -0.084 1.00 0.00 O ATOM 0 H TYR A 51 -9.951 -1.864 2.169 1.00 0.00 H new ATOM 0 HA TYR A 51 -10.337 -4.546 2.830 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -8.386 -2.381 3.504 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -8.397 -3.772 4.570 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -7.710 -5.985 3.750 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -7.617 -2.592 1.176 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -6.289 -7.222 2.176 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -6.186 -3.824 -0.394 1.00 0.00 H new ATOM 0 HH TYR A 51 -5.515 -5.973 -0.996 1.00 0.00 H new ATOM 860 N LYS A 52 -11.015 -2.432 5.276 1.00 0.00 N ATOM 861 CA LYS A 52 -11.607 -2.313 6.603 1.00 0.00 C ATOM 862 C LYS A 52 -13.060 -2.770 6.587 1.00 0.00 C ATOM 863 O LYS A 52 -13.542 -3.368 7.550 1.00 0.00 O ATOM 864 CB LYS A 52 -11.509 -0.870 7.100 1.00 0.00 C ATOM 865 CG LYS A 52 -11.825 -0.706 8.576 1.00 0.00 C ATOM 866 CD LYS A 52 -11.518 0.701 9.057 1.00 0.00 C ATOM 867 CE LYS A 52 -11.678 0.817 10.562 1.00 0.00 C ATOM 868 NZ LYS A 52 -11.268 2.157 11.058 1.00 0.00 N ATOM 0 H LYS A 52 -10.742 -1.543 4.856 1.00 0.00 H new ATOM 0 HA LYS A 52 -11.053 -2.957 7.286 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -10.502 -0.498 6.910 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -12.192 -0.249 6.521 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -12.877 -0.930 8.751 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -11.245 -1.425 9.155 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -10.500 0.970 8.776 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -12.183 1.410 8.563 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -12.717 0.631 10.833 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -11.079 0.049 11.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -11.391 2.198 12.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -10.269 2.324 10.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -11.856 2.888 10.610 1.00 0.00 H new ATOM 882 N GLU A 53 -13.747 -2.498 5.481 1.00 0.00 N ATOM 883 CA GLU A 53 -15.139 -2.899 5.330 1.00 0.00 C ATOM 884 C GLU A 53 -15.258 -4.418 5.327 1.00 0.00 C ATOM 885 O GLU A 53 -16.085 -4.988 6.033 1.00 0.00 O ATOM 886 CB GLU A 53 -15.727 -2.342 4.034 1.00 0.00 C ATOM 887 CG GLU A 53 -17.217 -2.599 3.894 1.00 0.00 C ATOM 888 CD GLU A 53 -17.738 -2.261 2.518 1.00 0.00 C ATOM 889 OE1 GLU A 53 -17.598 -1.095 2.092 1.00 0.00 O ATOM 890 OE2 GLU A 53 -18.289 -3.161 1.852 1.00 0.00 O ATOM 0 H GLU A 53 -13.361 -2.002 4.678 1.00 0.00 H new ATOM 0 HA GLU A 53 -15.697 -2.495 6.175 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -15.545 -1.268 3.992 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -15.207 -2.787 3.186 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -17.423 -3.648 4.109 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -17.755 -2.010 4.637 1.00 0.00 H new ATOM 897 N ALA A 54 -14.411 -5.066 4.539 1.00 0.00 N ATOM 898 CA ALA A 54 -14.439 -6.515 4.414 1.00 0.00 C ATOM 899 C ALA A 54 -13.981 -7.188 5.702 1.00 0.00 C ATOM 900 O ALA A 54 -14.480 -8.253 6.064 1.00 0.00 O ATOM 901 CB ALA A 54 -13.574 -6.960 3.246 1.00 0.00 C ATOM 0 H ALA A 54 -13.694 -4.609 3.976 1.00 0.00 H new ATOM 0 HA ALA A 54 -15.469 -6.818 4.225 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -13.604 -8.047 3.164 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -13.951 -6.516 2.324 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -12.546 -6.637 3.411 1.00 0.00 H new ATOM 907 N ALA A 55 -13.041 -6.553 6.394 1.00 0.00 N ATOM 908 CA ALA A 55 -12.493 -7.089 7.637 1.00 0.00 C ATOM 909 C ALA A 55 -13.579 -7.284 8.689 1.00 0.00 C ATOM 910 O ALA A 55 -13.660 -8.337 9.318 1.00 0.00 O ATOM 911 CB ALA A 55 -11.402 -6.174 8.179 1.00 0.00 C ATOM 0 H ALA A 55 -12.639 -5.659 6.113 1.00 0.00 H new ATOM 0 HA ALA A 55 -12.062 -8.064 7.411 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -11.006 -6.590 9.105 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -10.600 -6.091 7.446 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -11.819 -5.186 8.374 1.00 0.00 H new ATOM 917 N GLU A 56 -14.420 -6.273 8.869 1.00 0.00 N ATOM 918 CA GLU A 56 -15.464 -6.331 9.887 1.00 0.00 C ATOM 919 C GLU A 56 -16.694 -7.091 9.393 1.00 0.00 C ATOM 920 O GLU A 56 -17.659 -7.278 10.137 1.00 0.00 O ATOM 921 CB GLU A 56 -15.851 -4.926 10.346 1.00 0.00 C ATOM 922 CG GLU A 56 -16.196 -3.976 9.213 1.00 0.00 C ATOM 923 CD GLU A 56 -16.484 -2.575 9.704 1.00 0.00 C ATOM 924 OE1 GLU A 56 -15.646 -2.016 10.439 1.00 0.00 O ATOM 925 OE2 GLU A 56 -17.559 -2.031 9.368 1.00 0.00 O ATOM 0 H GLU A 56 -14.401 -5.408 8.328 1.00 0.00 H new ATOM 0 HA GLU A 56 -15.059 -6.877 10.739 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -16.706 -4.998 11.018 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -15.027 -4.504 10.922 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -15.370 -3.947 8.503 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -17.065 -4.356 8.676 1.00 0.00 H new ATOM 932 N LYS A 57 -16.656 -7.525 8.140 1.00 0.00 N ATOM 933 CA LYS A 57 -17.713 -8.354 7.585 1.00 0.00 C ATOM 934 C LYS A 57 -17.269 -9.813 7.526 1.00 0.00 C ATOM 935 O LYS A 57 -18.057 -10.701 7.195 1.00 0.00 O ATOM 936 CB LYS A 57 -18.094 -7.858 6.189 1.00 0.00 C ATOM 937 CG LYS A 57 -18.867 -6.550 6.197 1.00 0.00 C ATOM 938 CD LYS A 57 -19.233 -6.107 4.790 1.00 0.00 C ATOM 939 CE LYS A 57 -20.025 -4.811 4.812 1.00 0.00 C ATOM 940 NZ LYS A 57 -20.419 -4.361 3.449 1.00 0.00 N ATOM 0 H LYS A 57 -15.900 -7.315 7.488 1.00 0.00 H new ATOM 0 HA LYS A 57 -18.587 -8.284 8.232 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -17.187 -7.730 5.598 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -18.693 -8.621 5.693 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -19.774 -6.667 6.790 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -18.269 -5.776 6.679 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -18.326 -5.972 4.201 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -19.818 -6.886 4.301 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -20.920 -4.946 5.419 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -19.430 -4.033 5.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -21.108 -3.585 3.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -19.577 -4.028 2.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -20.848 -5.155 2.932 1.00 0.00 H new ATOM 954 N ALA A 58 -16.010 -10.053 7.863 1.00 0.00 N ATOM 955 CA ALA A 58 -15.445 -11.392 7.810 1.00 0.00 C ATOM 956 C ALA A 58 -15.808 -12.189 9.059 1.00 0.00 C ATOM 957 O ALA A 58 -16.421 -11.661 9.991 1.00 0.00 O ATOM 958 CB ALA A 58 -13.934 -11.323 7.639 1.00 0.00 C ATOM 0 H ALA A 58 -15.359 -9.334 8.177 1.00 0.00 H new ATOM 0 HA ALA A 58 -15.870 -11.907 6.948 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -13.526 -12.333 7.601 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -13.696 -10.800 6.713 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -13.497 -10.786 8.481 1.00 0.00 H new ATOM 964 N ARG A 59 -15.421 -13.454 9.070 1.00 0.00 N ATOM 965 CA ARG A 59 -15.742 -14.345 10.172 1.00 0.00 C ATOM 966 C ARG A 59 -14.493 -14.689 10.974 1.00 0.00 C ATOM 967 O ARG A 59 -13.420 -14.889 10.405 1.00 0.00 O ATOM 968 CB ARG A 59 -16.418 -15.611 9.646 1.00 0.00 C ATOM 969 CG ARG A 59 -17.853 -15.374 9.217 1.00 0.00 C ATOM 970 CD ARG A 59 -18.442 -16.593 8.531 1.00 0.00 C ATOM 971 NE ARG A 59 -17.968 -16.741 7.154 1.00 0.00 N ATOM 972 CZ ARG A 59 -17.726 -17.913 6.573 1.00 0.00 C ATOM 973 NH1 ARG A 59 -17.782 -19.036 7.278 1.00 0.00 N ATOM 974 NH2 ARG A 59 -17.398 -17.957 5.289 1.00 0.00 N ATOM 0 H ARG A 59 -14.880 -13.889 8.322 1.00 0.00 H new ATOM 0 HA ARG A 59 -16.436 -13.834 10.840 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -15.849 -15.997 8.800 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -16.397 -16.378 10.420 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -18.456 -15.120 10.089 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -17.894 -14.520 8.541 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -18.184 -17.487 9.099 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -19.529 -16.517 8.532 1.00 0.00 H new ATOM 0 HE ARG A 59 -17.814 -15.894 6.607 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -18.012 -19.004 8.271 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -17.595 -19.931 6.827 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -17.332 -17.094 4.750 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -17.212 -18.854 4.841 1.00 0.00 H new ATOM 988 N ASN A 60 -14.667 -14.752 12.294 1.00 0.00 N ATOM 989 CA ASN A 60 -13.585 -15.000 13.252 1.00 0.00 C ATOM 990 C ASN A 60 -12.660 -13.785 13.347 1.00 0.00 C ATOM 991 O ASN A 60 -11.945 -13.451 12.396 1.00 0.00 O ATOM 992 CB ASN A 60 -12.782 -16.268 12.913 1.00 0.00 C ATOM 993 CG ASN A 60 -11.786 -16.624 14.007 1.00 0.00 C ATOM 994 OD1 ASN A 60 -11.991 -16.296 15.175 1.00 0.00 O ATOM 995 ND2 ASN A 60 -10.713 -17.311 13.646 1.00 0.00 N ATOM 0 H ASN A 60 -15.578 -14.630 12.737 1.00 0.00 H new ATOM 0 HA ASN A 60 -14.050 -15.167 14.224 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -13.468 -17.102 12.763 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -12.250 -16.119 11.973 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -10.024 -17.585 14.346 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -10.576 -17.566 12.668 1.00 0.00 H new ATOM 1002 N PRO A 61 -12.661 -13.115 14.518 1.00 0.00 N ATOM 1003 CA PRO A 61 -11.901 -11.876 14.752 1.00 0.00 C ATOM 1004 C PRO A 61 -10.409 -12.022 14.462 1.00 0.00 C ATOM 1005 O PRO A 61 -9.718 -11.033 14.229 1.00 0.00 O ATOM 1006 CB PRO A 61 -12.126 -11.578 16.245 1.00 0.00 C ATOM 1007 CG PRO A 61 -12.657 -12.843 16.822 1.00 0.00 C ATOM 1008 CD PRO A 61 -13.418 -13.510 15.714 1.00 0.00 C ATOM 0 HA PRO A 61 -12.238 -11.080 14.087 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -11.196 -11.283 16.732 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -12.831 -10.758 16.381 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -11.848 -13.480 17.179 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -13.305 -12.642 17.675 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -13.445 -14.593 15.836 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -14.452 -13.168 15.670 1.00 0.00 H new ATOM 1016 N GLU A 62 -9.917 -13.253 14.478 1.00 0.00 N ATOM 1017 CA GLU A 62 -8.519 -13.515 14.172 1.00 0.00 C ATOM 1018 C GLU A 62 -8.221 -13.181 12.716 1.00 0.00 C ATOM 1019 O GLU A 62 -7.183 -12.599 12.405 1.00 0.00 O ATOM 1020 CB GLU A 62 -8.179 -14.970 14.460 1.00 0.00 C ATOM 1021 CG GLU A 62 -8.530 -15.392 15.874 1.00 0.00 C ATOM 1022 CD GLU A 62 -8.145 -16.822 16.157 1.00 0.00 C ATOM 1023 OE1 GLU A 62 -8.804 -17.731 15.616 1.00 0.00 O ATOM 1024 OE2 GLU A 62 -7.175 -17.041 16.909 1.00 0.00 O ATOM 0 H GLU A 62 -10.465 -14.084 14.699 1.00 0.00 H new ATOM 0 HA GLU A 62 -7.901 -12.880 14.807 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -8.710 -15.608 13.754 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.113 -15.128 14.293 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.025 -14.735 16.583 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -9.601 -15.268 16.032 1.00 0.00 H new ATOM 1031 N LYS A 63 -9.145 -13.530 11.828 1.00 0.00 N ATOM 1032 CA LYS A 63 -9.002 -13.203 10.417 1.00 0.00 C ATOM 1033 C LYS A 63 -9.170 -11.703 10.218 1.00 0.00 C ATOM 1034 O LYS A 63 -8.518 -11.095 9.368 1.00 0.00 O ATOM 1035 CB LYS A 63 -10.024 -13.973 9.580 1.00 0.00 C ATOM 1036 CG LYS A 63 -9.838 -15.483 9.637 1.00 0.00 C ATOM 1037 CD LYS A 63 -10.882 -16.214 8.809 1.00 0.00 C ATOM 1038 CE LYS A 63 -10.647 -17.717 8.837 1.00 0.00 C ATOM 1039 NZ LYS A 63 -11.689 -18.471 8.089 1.00 0.00 N ATOM 0 H LYS A 63 -9.998 -14.038 12.061 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.005 -13.495 10.086 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -11.027 -13.725 9.926 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -9.954 -13.645 8.543 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.842 -15.740 9.275 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -9.897 -15.817 10.673 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -11.877 -15.991 9.193 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -10.850 -15.857 7.780 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.668 -17.936 8.411 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -10.628 -18.059 9.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -11.483 -19.489 8.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -12.622 -18.285 8.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -11.691 -18.166 7.095 1.00 0.00 H new ATOM 1053 N ARG A 64 -10.043 -11.115 11.024 1.00 0.00 N ATOM 1054 CA ARG A 64 -10.224 -9.672 11.048 1.00 0.00 C ATOM 1055 C ARG A 64 -8.906 -9.005 11.451 1.00 0.00 C ATOM 1056 O ARG A 64 -8.493 -8.015 10.854 1.00 0.00 O ATOM 1057 CB ARG A 64 -11.353 -9.323 12.033 1.00 0.00 C ATOM 1058 CG ARG A 64 -11.838 -7.876 11.992 1.00 0.00 C ATOM 1059 CD ARG A 64 -10.873 -6.913 12.669 1.00 0.00 C ATOM 1060 NE ARG A 64 -10.551 -7.316 14.041 1.00 0.00 N ATOM 1061 CZ ARG A 64 -10.088 -6.481 14.971 1.00 0.00 C ATOM 1062 NH1 ARG A 64 -9.977 -5.186 14.714 1.00 0.00 N ATOM 1063 NH2 ARG A 64 -9.758 -6.934 16.173 1.00 0.00 N ATOM 0 H ARG A 64 -10.642 -11.622 11.676 1.00 0.00 H new ATOM 0 HA ARG A 64 -10.504 -9.305 10.061 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -12.201 -9.978 11.833 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -11.011 -9.545 13.044 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -11.978 -7.574 10.954 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -12.812 -7.810 12.478 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -9.954 -6.854 12.086 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -11.309 -5.914 12.680 1.00 0.00 H new ATOM 0 HE ARG A 64 -10.689 -8.293 14.299 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -10.247 -4.823 13.800 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -9.622 -4.553 15.430 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -9.858 -7.926 16.389 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -9.404 -6.291 16.881 1.00 0.00 H new ATOM 1077 N GLN A 65 -8.250 -9.578 12.457 1.00 0.00 N ATOM 1078 CA GLN A 65 -6.990 -9.060 12.979 1.00 0.00 C ATOM 1079 C GLN A 65 -5.893 -9.110 11.915 1.00 0.00 C ATOM 1080 O GLN A 65 -5.058 -8.215 11.840 1.00 0.00 O ATOM 1081 CB GLN A 65 -6.582 -9.876 14.209 1.00 0.00 C ATOM 1082 CG GLN A 65 -5.920 -9.072 15.319 1.00 0.00 C ATOM 1083 CD GLN A 65 -4.535 -8.557 14.968 1.00 0.00 C ATOM 1084 OE1 GLN A 65 -3.535 -9.253 15.156 1.00 0.00 O ATOM 1085 NE2 GLN A 65 -4.453 -7.323 14.499 1.00 0.00 N ATOM 0 H GLN A 65 -8.579 -10.417 12.934 1.00 0.00 H new ATOM 0 HA GLN A 65 -7.126 -8.016 13.263 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -7.468 -10.365 14.613 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.899 -10.665 13.894 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -6.558 -8.225 15.570 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.850 -9.694 16.211 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -5.301 -6.775 14.355 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -3.542 -6.920 14.281 1.00 0.00 H new ATOM 1094 N VAL A 66 -5.912 -10.144 11.080 1.00 0.00 N ATOM 1095 CA VAL A 66 -4.929 -10.267 10.007 1.00 0.00 C ATOM 1096 C VAL A 66 -5.012 -9.057 9.083 1.00 0.00 C ATOM 1097 O VAL A 66 -4.001 -8.428 8.765 1.00 0.00 O ATOM 1098 CB VAL A 66 -5.135 -11.561 9.185 1.00 0.00 C ATOM 1099 CG1 VAL A 66 -4.122 -11.656 8.053 1.00 0.00 C ATOM 1100 CG2 VAL A 66 -5.042 -12.781 10.085 1.00 0.00 C ATOM 0 H VAL A 66 -6.591 -10.904 11.124 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.943 -10.314 10.468 1.00 0.00 H new ATOM 0 HB VAL A 66 -6.131 -11.527 8.744 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.289 -12.575 7.491 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.237 -10.799 7.389 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.114 -11.662 8.467 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.189 -13.683 9.491 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.059 -12.812 10.555 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.811 -12.724 10.855 1.00 0.00 H new ATOM 1110 N ILE A 67 -6.229 -8.715 8.685 1.00 0.00 N ATOM 1111 CA ILE A 67 -6.459 -7.541 7.858 1.00 0.00 C ATOM 1112 C ILE A 67 -6.197 -6.268 8.661 1.00 0.00 C ATOM 1113 O ILE A 67 -5.629 -5.311 8.149 1.00 0.00 O ATOM 1114 CB ILE A 67 -7.901 -7.521 7.301 1.00 0.00 C ATOM 1115 CG1 ILE A 67 -8.188 -8.822 6.552 1.00 0.00 C ATOM 1116 CG2 ILE A 67 -8.110 -6.321 6.385 1.00 0.00 C ATOM 1117 CD1 ILE A 67 -9.603 -8.928 6.022 1.00 0.00 C ATOM 0 H ILE A 67 -7.073 -9.236 8.922 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.768 -7.586 7.017 1.00 0.00 H new ATOM 0 HB ILE A 67 -8.596 -7.433 8.136 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -7.491 -8.911 5.719 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -7.997 -9.663 7.219 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -9.131 -6.327 6.005 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -7.937 -5.402 6.944 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -7.412 -6.375 5.550 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -9.727 -9.879 5.504 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -10.307 -8.873 6.852 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -9.794 -8.109 5.329 1.00 0.00 H new ATOM 1129 N ASP A 68 -6.606 -6.286 9.928 1.00 0.00 N ATOM 1130 CA ASP A 68 -6.396 -5.170 10.856 1.00 0.00 C ATOM 1131 C ASP A 68 -4.915 -4.803 10.971 1.00 0.00 C ATOM 1132 O ASP A 68 -4.566 -3.626 11.070 1.00 0.00 O ATOM 1133 CB ASP A 68 -6.967 -5.538 12.230 1.00 0.00 C ATOM 1134 CG ASP A 68 -6.625 -4.535 13.312 1.00 0.00 C ATOM 1135 OD1 ASP A 68 -7.248 -3.452 13.350 1.00 0.00 O ATOM 1136 OD2 ASP A 68 -5.737 -4.831 14.136 1.00 0.00 O ATOM 0 H ASP A 68 -7.095 -7.078 10.345 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.916 -4.295 10.466 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -8.051 -5.623 12.154 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.590 -6.518 12.521 1.00 0.00 H new ATOM 1141 N LYS A 69 -4.050 -5.812 10.951 1.00 0.00 N ATOM 1142 CA LYS A 69 -2.606 -5.585 10.977 1.00 0.00 C ATOM 1143 C LYS A 69 -2.176 -4.738 9.786 1.00 0.00 C ATOM 1144 O LYS A 69 -1.418 -3.778 9.930 1.00 0.00 O ATOM 1145 CB LYS A 69 -1.864 -6.922 10.941 1.00 0.00 C ATOM 1146 CG LYS A 69 -1.892 -7.689 12.253 1.00 0.00 C ATOM 1147 CD LYS A 69 -1.459 -9.139 12.066 1.00 0.00 C ATOM 1148 CE LYS A 69 -0.137 -9.257 11.318 1.00 0.00 C ATOM 1149 NZ LYS A 69 0.980 -8.580 12.029 1.00 0.00 N ATOM 0 H LYS A 69 -4.322 -6.795 10.917 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.360 -5.056 11.897 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.300 -7.545 10.160 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -0.826 -6.741 10.662 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -1.234 -7.203 12.973 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.899 -7.660 12.670 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -1.366 -9.616 13.041 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -2.232 -9.679 11.520 1.00 0.00 H new ATOM 0 HE2 LYS A 69 0.108 -10.311 11.183 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -0.246 -8.825 10.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.866 -8.732 11.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.785 -7.560 12.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 1.071 -8.974 12.987 1.00 0.00 H new ATOM 1163 N ILE A 70 -2.684 -5.087 8.614 1.00 0.00 N ATOM 1164 CA ILE A 70 -2.411 -4.337 7.402 1.00 0.00 C ATOM 1165 C ILE A 70 -3.128 -2.990 7.438 1.00 0.00 C ATOM 1166 O ILE A 70 -2.582 -1.984 7.010 1.00 0.00 O ATOM 1167 CB ILE A 70 -2.810 -5.144 6.148 1.00 0.00 C ATOM 1168 CG1 ILE A 70 -1.875 -6.352 6.011 1.00 0.00 C ATOM 1169 CG2 ILE A 70 -2.769 -4.274 4.895 1.00 0.00 C ATOM 1170 CD1 ILE A 70 -2.090 -7.166 4.757 1.00 0.00 C ATOM 0 H ILE A 70 -3.293 -5.894 8.478 1.00 0.00 H new ATOM 0 HA ILE A 70 -1.338 -4.153 7.348 1.00 0.00 H new ATOM 0 HB ILE A 70 -3.836 -5.494 6.260 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.843 -6.002 6.030 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -2.008 -7.000 6.878 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.055 -4.870 4.029 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.463 -3.441 5.007 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.760 -3.888 4.753 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.388 -8.000 4.740 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.110 -7.550 4.743 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.927 -6.537 3.882 1.00 0.00 H new ATOM 1182 N LEU A 71 -4.341 -2.979 7.970 1.00 0.00 N ATOM 1183 CA LEU A 71 -5.106 -1.747 8.148 1.00 0.00 C ATOM 1184 C LEU A 71 -4.319 -0.728 8.971 1.00 0.00 C ATOM 1185 O LEU A 71 -4.303 0.465 8.660 1.00 0.00 O ATOM 1186 CB LEU A 71 -6.438 -2.059 8.837 1.00 0.00 C ATOM 1187 CG LEU A 71 -7.450 -2.814 7.975 1.00 0.00 C ATOM 1188 CD1 LEU A 71 -8.717 -3.095 8.766 1.00 0.00 C ATOM 1189 CD2 LEU A 71 -7.767 -2.022 6.716 1.00 0.00 C ATOM 0 H LEU A 71 -4.824 -3.818 8.290 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.298 -1.316 7.165 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -6.237 -2.646 9.733 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -6.889 -1.122 9.164 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.013 -3.768 7.680 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -9.427 -3.633 8.137 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.474 -3.701 9.639 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.160 -2.153 9.090 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.489 -2.572 6.112 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.186 -1.054 6.991 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -6.853 -1.871 6.141 1.00 0.00 H new ATOM 1201 N GLU A 72 -3.690 -1.209 10.032 1.00 0.00 N ATOM 1202 CA GLU A 72 -2.863 -0.375 10.897 1.00 0.00 C ATOM 1203 C GLU A 72 -1.583 0.040 10.163 1.00 0.00 C ATOM 1204 O GLU A 72 -1.207 1.215 10.150 1.00 0.00 O ATOM 1205 CB GLU A 72 -2.547 -1.153 12.184 1.00 0.00 C ATOM 1206 CG GLU A 72 -2.203 -0.285 13.384 1.00 0.00 C ATOM 1207 CD GLU A 72 -0.742 0.094 13.447 1.00 0.00 C ATOM 1208 OE1 GLU A 72 0.068 -0.742 13.905 1.00 0.00 O ATOM 1209 OE2 GLU A 72 -0.395 1.232 13.061 1.00 0.00 O ATOM 0 H GLU A 72 -3.737 -2.187 10.319 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.398 0.537 11.162 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.406 -1.774 12.437 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -1.713 -1.827 11.989 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.806 0.623 13.352 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -2.474 -0.815 14.297 1.00 0.00 H new ATOM 1216 N ASP A 73 -0.945 -0.938 9.528 1.00 0.00 N ATOM 1217 CA ASP A 73 0.308 -0.730 8.795 1.00 0.00 C ATOM 1218 C ASP A 73 0.128 0.248 7.632 1.00 0.00 C ATOM 1219 O ASP A 73 0.926 1.165 7.447 1.00 0.00 O ATOM 1220 CB ASP A 73 0.801 -2.079 8.251 1.00 0.00 C ATOM 1221 CG ASP A 73 2.103 -1.982 7.487 1.00 0.00 C ATOM 1222 OD1 ASP A 73 2.114 -1.445 6.380 1.00 0.00 O ATOM 1223 OD2 ASP A 73 3.130 -2.492 7.936 1.00 0.00 O ATOM 0 H ASP A 73 -1.280 -1.901 9.505 1.00 0.00 H new ATOM 0 HA ASP A 73 1.037 -0.303 9.483 1.00 0.00 H new ATOM 0 HB2 ASP A 73 0.927 -2.773 9.082 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.036 -2.500 7.598 1.00 0.00 H new ATOM 1228 N GLU A 74 -0.930 0.037 6.862 1.00 0.00 N ATOM 1229 CA GLU A 74 -1.177 0.780 5.628 1.00 0.00 C ATOM 1230 C GLU A 74 -1.390 2.270 5.920 1.00 0.00 C ATOM 1231 O GLU A 74 -0.937 3.123 5.160 1.00 0.00 O ATOM 1232 CB GLU A 74 -2.398 0.175 4.914 1.00 0.00 C ATOM 1233 CG GLU A 74 -2.382 0.293 3.396 1.00 0.00 C ATOM 1234 CD GLU A 74 -1.149 -0.320 2.759 1.00 0.00 C ATOM 1235 OE1 GLU A 74 -1.051 -1.576 2.645 1.00 0.00 O ATOM 1236 OE2 GLU A 74 -0.264 0.447 2.353 1.00 0.00 O ATOM 0 H GLU A 74 -1.647 -0.657 7.074 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.306 0.700 4.977 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -2.470 -0.880 5.180 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -3.298 0.661 5.291 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.270 -0.192 2.992 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -2.440 1.346 3.120 1.00 0.00 H new ATOM 1243 N GLU A 75 -2.055 2.583 7.034 1.00 0.00 N ATOM 1244 CA GLU A 75 -2.236 3.971 7.447 1.00 0.00 C ATOM 1245 C GLU A 75 -0.892 4.632 7.731 1.00 0.00 C ATOM 1246 O GLU A 75 -0.683 5.804 7.416 1.00 0.00 O ATOM 1247 CB GLU A 75 -3.116 4.063 8.695 1.00 0.00 C ATOM 1248 CG GLU A 75 -4.606 3.943 8.420 1.00 0.00 C ATOM 1249 CD GLU A 75 -5.095 4.936 7.385 1.00 0.00 C ATOM 1250 OE1 GLU A 75 -4.436 5.975 7.188 1.00 0.00 O ATOM 1251 OE2 GLU A 75 -6.111 4.652 6.724 1.00 0.00 O ATOM 0 H GLU A 75 -2.474 1.897 7.661 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.727 4.493 6.626 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -2.822 3.277 9.391 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.925 5.015 9.190 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.827 2.932 8.079 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.155 4.094 9.349 1.00 0.00 H new ATOM 1258 N LYS A 76 0.020 3.864 8.317 1.00 0.00 N ATOM 1259 CA LYS A 76 1.346 4.364 8.657 1.00 0.00 C ATOM 1260 C LYS A 76 2.087 4.821 7.402 1.00 0.00 C ATOM 1261 O LYS A 76 2.849 5.791 7.433 1.00 0.00 O ATOM 1262 CB LYS A 76 2.143 3.279 9.392 1.00 0.00 C ATOM 1263 CG LYS A 76 3.581 3.661 9.709 1.00 0.00 C ATOM 1264 CD LYS A 76 4.274 2.580 10.529 1.00 0.00 C ATOM 1265 CE LYS A 76 4.195 1.217 9.852 1.00 0.00 C ATOM 1266 NZ LYS A 76 4.883 0.164 10.645 1.00 0.00 N ATOM 0 H LYS A 76 -0.137 2.888 8.567 1.00 0.00 H new ATOM 0 HA LYS A 76 1.237 5.225 9.317 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.631 3.037 10.323 1.00 0.00 H new ATOM 0 HB3 LYS A 76 2.146 2.374 8.785 1.00 0.00 H new ATOM 0 HG2 LYS A 76 4.129 3.824 8.781 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.597 4.603 10.258 1.00 0.00 H new ATOM 0 HD2 LYS A 76 5.319 2.851 10.679 1.00 0.00 H new ATOM 0 HD3 LYS A 76 3.815 2.523 11.516 1.00 0.00 H new ATOM 0 HE2 LYS A 76 3.150 0.941 9.712 1.00 0.00 H new ATOM 0 HE3 LYS A 76 4.645 1.277 8.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 4.807 -0.748 10.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 5.886 0.414 10.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 4.438 0.088 11.582 1.00 0.00 H new ATOM 1280 N HIS A 77 1.841 4.126 6.295 1.00 0.00 N ATOM 1281 CA HIS A 77 2.430 4.492 5.011 1.00 0.00 C ATOM 1282 C HIS A 77 1.925 5.860 4.576 1.00 0.00 C ATOM 1283 O HIS A 77 2.701 6.745 4.206 1.00 0.00 O ATOM 1284 CB HIS A 77 2.039 3.490 3.928 1.00 0.00 C ATOM 1285 CG HIS A 77 2.489 2.087 4.160 1.00 0.00 C ATOM 1286 ND1 HIS A 77 2.015 1.024 3.432 1.00 0.00 N ATOM 1287 CD2 HIS A 77 3.378 1.575 5.046 1.00 0.00 C ATOM 1288 CE1 HIS A 77 2.607 -0.081 3.888 1.00 0.00 C ATOM 1289 NE2 HIS A 77 3.452 0.189 4.869 1.00 0.00 N ATOM 0 H HIS A 77 1.237 3.305 6.262 1.00 0.00 H new ATOM 0 HA HIS A 77 3.513 4.501 5.137 1.00 0.00 H new ATOM 0 HB2 HIS A 77 0.954 3.493 3.829 1.00 0.00 H new ATOM 0 HB3 HIS A 77 2.447 3.832 2.977 1.00 0.00 H new ATOM 0 HD1 HIS A 77 1.331 1.071 2.676 1.00 0.00 H new ATOM 0 HD2 HIS A 77 3.939 2.145 5.772 1.00 0.00 H new ATOM 0 HE1 HIS A 77 2.420 -1.073 3.504 1.00 0.00 H new ATOM 1296 N ILE A 78 0.609 6.013 4.641 1.00 0.00 N ATOM 1297 CA ILE A 78 -0.063 7.224 4.200 1.00 0.00 C ATOM 1298 C ILE A 78 0.358 8.412 5.049 1.00 0.00 C ATOM 1299 O ILE A 78 0.681 9.478 4.528 1.00 0.00 O ATOM 1300 CB ILE A 78 -1.592 7.059 4.272 1.00 0.00 C ATOM 1301 CG1 ILE A 78 -2.021 5.777 3.555 1.00 0.00 C ATOM 1302 CG2 ILE A 78 -2.276 8.266 3.655 1.00 0.00 C ATOM 1303 CD1 ILE A 78 -3.476 5.418 3.762 1.00 0.00 C ATOM 0 H ILE A 78 -0.022 5.298 5.002 1.00 0.00 H new ATOM 0 HA ILE A 78 0.226 7.405 3.165 1.00 0.00 H new ATOM 0 HB ILE A 78 -1.890 6.986 5.318 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -1.833 5.889 2.487 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -1.400 4.952 3.904 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -3.357 8.140 3.711 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.987 9.165 4.199 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -1.975 8.361 2.612 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -3.704 4.498 3.223 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -3.667 5.273 4.825 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -4.107 6.224 3.387 1.00 0.00 H new ATOM 1315 N GLU A 79 0.371 8.209 6.362 1.00 0.00 N ATOM 1316 CA GLU A 79 0.787 9.240 7.303 1.00 0.00 C ATOM 1317 C GLU A 79 2.197 9.729 6.992 1.00 0.00 C ATOM 1318 O GLU A 79 2.509 10.909 7.169 1.00 0.00 O ATOM 1319 CB GLU A 79 0.724 8.702 8.733 1.00 0.00 C ATOM 1320 CG GLU A 79 -0.690 8.537 9.257 1.00 0.00 C ATOM 1321 CD GLU A 79 -1.394 9.868 9.428 1.00 0.00 C ATOM 1322 OE1 GLU A 79 -1.986 10.368 8.450 1.00 0.00 O ATOM 1323 OE2 GLU A 79 -1.350 10.419 10.546 1.00 0.00 O ATOM 0 H GLU A 79 0.095 7.331 6.801 1.00 0.00 H new ATOM 0 HA GLU A 79 0.104 10.084 7.206 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.232 7.739 8.773 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.270 9.378 9.391 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.260 7.912 8.570 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -0.663 8.016 10.214 1.00 0.00 H new ATOM 1330 N TRP A 80 3.041 8.820 6.521 1.00 0.00 N ATOM 1331 CA TRP A 80 4.406 9.163 6.159 1.00 0.00 C ATOM 1332 C TRP A 80 4.428 10.004 4.882 1.00 0.00 C ATOM 1333 O TRP A 80 4.922 11.130 4.886 1.00 0.00 O ATOM 1334 CB TRP A 80 5.250 7.897 5.985 1.00 0.00 C ATOM 1335 CG TRP A 80 6.695 8.169 5.716 1.00 0.00 C ATOM 1336 CD1 TRP A 80 7.447 7.629 4.721 1.00 0.00 C ATOM 1337 CD2 TRP A 80 7.562 9.045 6.448 1.00 0.00 C ATOM 1338 NE1 TRP A 80 8.730 8.111 4.784 1.00 0.00 N ATOM 1339 CE2 TRP A 80 8.826 8.983 5.836 1.00 0.00 C ATOM 1340 CE3 TRP A 80 7.390 9.878 7.560 1.00 0.00 C ATOM 1341 CZ2 TRP A 80 9.914 9.720 6.298 1.00 0.00 C ATOM 1342 CZ3 TRP A 80 8.471 10.606 8.020 1.00 0.00 C ATOM 1343 CH2 TRP A 80 9.717 10.526 7.387 1.00 0.00 C ATOM 0 H TRP A 80 2.802 7.838 6.381 1.00 0.00 H new ATOM 0 HA TRP A 80 4.837 9.755 6.966 1.00 0.00 H new ATOM 0 HB2 TRP A 80 5.166 7.288 6.885 1.00 0.00 H new ATOM 0 HB3 TRP A 80 4.841 7.309 5.163 1.00 0.00 H new ATOM 0 HD1 TRP A 80 7.087 6.923 3.987 1.00 0.00 H new ATOM 0 HE1 TRP A 80 9.489 7.861 4.150 1.00 0.00 H new ATOM 0 HE3 TRP A 80 6.430 9.950 8.049 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 10.878 9.658 5.815 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 8.353 11.247 8.881 1.00 0.00 H new ATOM 0 HH2 TRP A 80 10.541 11.113 7.766 1.00 0.00 H new ATOM 1354 N HIS A 81 3.866 9.466 3.802 1.00 0.00 N ATOM 1355 CA HIS A 81 3.877 10.147 2.504 1.00 0.00 C ATOM 1356 C HIS A 81 3.130 11.480 2.548 1.00 0.00 C ATOM 1357 O HIS A 81 3.487 12.424 1.842 1.00 0.00 O ATOM 1358 CB HIS A 81 3.270 9.249 1.418 1.00 0.00 C ATOM 1359 CG HIS A 81 4.187 8.157 0.959 1.00 0.00 C ATOM 1360 ND1 HIS A 81 5.189 8.343 0.033 1.00 0.00 N ATOM 1361 CD2 HIS A 81 4.247 6.851 1.318 1.00 0.00 C ATOM 1362 CE1 HIS A 81 5.817 7.175 -0.135 1.00 0.00 C ATOM 1363 NE2 HIS A 81 5.286 6.236 0.622 1.00 0.00 N ATOM 0 H HIS A 81 3.397 8.560 3.797 1.00 0.00 H new ATOM 0 HA HIS A 81 4.919 10.355 2.263 1.00 0.00 H new ATOM 0 HB2 HIS A 81 2.351 8.804 1.799 1.00 0.00 H new ATOM 0 HB3 HIS A 81 2.995 9.865 0.562 1.00 0.00 H new ATOM 0 HD1 HIS A 81 5.413 9.218 -0.441 1.00 0.00 H new ATOM 0 HD2 HIS A 81 3.595 6.365 2.029 1.00 0.00 H new ATOM 0 HE1 HIS A 81 6.651 7.021 -0.804 1.00 0.00 H new ATOM 1371 N LYS A 82 2.097 11.549 3.373 1.00 0.00 N ATOM 1372 CA LYS A 82 1.301 12.760 3.520 1.00 0.00 C ATOM 1373 C LYS A 82 2.123 13.870 4.176 1.00 0.00 C ATOM 1374 O LYS A 82 2.133 15.011 3.712 1.00 0.00 O ATOM 1375 CB LYS A 82 0.049 12.438 4.342 1.00 0.00 C ATOM 1376 CG LYS A 82 -0.910 13.599 4.541 1.00 0.00 C ATOM 1377 CD LYS A 82 -2.228 13.102 5.111 1.00 0.00 C ATOM 1378 CE LYS A 82 -3.140 14.242 5.526 1.00 0.00 C ATOM 1379 NZ LYS A 82 -2.648 14.942 6.742 1.00 0.00 N ATOM 0 H LYS A 82 1.787 10.772 3.957 1.00 0.00 H new ATOM 0 HA LYS A 82 0.998 13.119 2.537 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -0.487 11.624 3.854 1.00 0.00 H new ATOM 0 HB3 LYS A 82 0.360 12.073 5.321 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -0.468 14.333 5.215 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -1.084 14.103 3.590 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -2.734 12.486 4.367 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -2.032 12.464 5.973 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -3.222 14.956 4.706 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -4.141 13.854 5.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -3.366 15.621 7.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -2.465 14.246 7.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -1.768 15.450 6.518 1.00 0.00 H new ATOM 1393 N ALA A 83 2.817 13.523 5.252 1.00 0.00 N ATOM 1394 CA ALA A 83 3.655 14.478 5.966 1.00 0.00 C ATOM 1395 C ALA A 83 4.912 14.827 5.174 1.00 0.00 C ATOM 1396 O ALA A 83 5.352 15.979 5.157 1.00 0.00 O ATOM 1397 CB ALA A 83 4.029 13.925 7.332 1.00 0.00 C ATOM 0 H ALA A 83 2.816 12.584 5.651 1.00 0.00 H new ATOM 0 HA ALA A 83 3.081 15.396 6.094 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.655 14.646 7.857 1.00 0.00 H new ATOM 0 HB2 ALA A 83 3.124 13.741 7.910 1.00 0.00 H new ATOM 0 HB3 ALA A 83 4.577 12.991 7.209 1.00 0.00 H new ATOM 1403 N ALA A 84 5.487 13.827 4.519 1.00 0.00 N ATOM 1404 CA ALA A 84 6.756 13.993 3.820 1.00 0.00 C ATOM 1405 C ALA A 84 6.595 14.743 2.501 1.00 0.00 C ATOM 1406 O ALA A 84 7.578 15.230 1.944 1.00 0.00 O ATOM 1407 CB ALA A 84 7.409 12.639 3.576 1.00 0.00 C ATOM 0 H ALA A 84 5.093 12.888 4.457 1.00 0.00 H new ATOM 0 HA ALA A 84 7.400 14.595 4.462 1.00 0.00 H new ATOM 0 HB1 ALA A 84 8.355 12.780 3.053 1.00 0.00 H new ATOM 0 HB2 ALA A 84 7.592 12.146 4.531 1.00 0.00 H new ATOM 0 HB3 ALA A 84 6.748 12.020 2.969 1.00 0.00 H new ATOM 1484 N ALA A 90 13.179 13.771 -3.820 1.00 0.00 N ATOM 1485 CA ALA A 90 13.767 12.916 -4.838 1.00 0.00 C ATOM 1486 C ALA A 90 14.623 11.809 -4.228 1.00 0.00 C ATOM 1487 O ALA A 90 14.197 10.658 -4.148 1.00 0.00 O ATOM 1488 CB ALA A 90 14.582 13.745 -5.823 1.00 0.00 C ATOM 0 HA ALA A 90 12.949 12.434 -5.374 1.00 0.00 H new ATOM 0 HB1 ALA A 90 15.015 13.090 -6.579 1.00 0.00 H new ATOM 0 HB2 ALA A 90 13.934 14.477 -6.306 1.00 0.00 H new ATOM 0 HB3 ALA A 90 15.380 14.262 -5.290 1.00 0.00 H new ATOM 1494 N GLU A 91 15.819 12.168 -3.774 1.00 0.00 N ATOM 1495 CA GLU A 91 16.800 11.187 -3.309 1.00 0.00 C ATOM 1496 C GLU A 91 16.322 10.458 -2.057 1.00 0.00 C ATOM 1497 O GLU A 91 16.355 9.230 -1.995 1.00 0.00 O ATOM 1498 CB GLU A 91 18.130 11.888 -3.031 1.00 0.00 C ATOM 1499 CG GLU A 91 18.699 12.600 -4.245 1.00 0.00 C ATOM 1500 CD GLU A 91 19.789 13.580 -3.878 1.00 0.00 C ATOM 1501 OE1 GLU A 91 19.459 14.730 -3.515 1.00 0.00 O ATOM 1502 OE2 GLU A 91 20.977 13.213 -3.947 1.00 0.00 O ATOM 0 H GLU A 91 16.136 13.136 -3.717 1.00 0.00 H new ATOM 0 HA GLU A 91 16.930 10.441 -4.093 1.00 0.00 H new ATOM 0 HB2 GLU A 91 17.991 12.611 -2.227 1.00 0.00 H new ATOM 0 HB3 GLU A 91 18.853 11.153 -2.677 1.00 0.00 H new ATOM 0 HG2 GLU A 91 19.097 11.863 -4.942 1.00 0.00 H new ATOM 0 HG3 GLU A 91 17.898 13.128 -4.762 1.00 0.00 H new ATOM 1509 N GLN A 92 15.857 11.213 -1.072 1.00 0.00 N ATOM 1510 CA GLN A 92 15.361 10.623 0.169 1.00 0.00 C ATOM 1511 C GLN A 92 14.064 9.862 -0.081 1.00 0.00 C ATOM 1512 O GLN A 92 13.857 8.768 0.440 1.00 0.00 O ATOM 1513 CB GLN A 92 15.140 11.707 1.226 1.00 0.00 C ATOM 1514 CG GLN A 92 16.415 12.412 1.662 1.00 0.00 C ATOM 1515 CD GLN A 92 17.342 11.525 2.478 1.00 0.00 C ATOM 1516 OE1 GLN A 92 17.377 10.305 2.311 1.00 0.00 O ATOM 1517 NE2 GLN A 92 18.098 12.136 3.377 1.00 0.00 N ATOM 0 H GLN A 92 15.812 12.231 -1.105 1.00 0.00 H new ATOM 0 HA GLN A 92 16.110 9.922 0.538 1.00 0.00 H new ATOM 0 HB2 GLN A 92 14.443 12.447 0.833 1.00 0.00 H new ATOM 0 HB3 GLN A 92 14.668 11.258 2.100 1.00 0.00 H new ATOM 0 HG2 GLN A 92 16.946 12.766 0.779 1.00 0.00 H new ATOM 0 HG3 GLN A 92 16.153 13.291 2.251 1.00 0.00 H new ATOM 0 HE21 GLN A 92 18.042 13.148 3.487 1.00 0.00 H new ATOM 0 HE22 GLN A 92 18.736 11.594 3.959 1.00 0.00 H new ATOM 1526 N PHE A 93 13.211 10.447 -0.905 1.00 0.00 N ATOM 1527 CA PHE A 93 11.914 9.870 -1.227 1.00 0.00 C ATOM 1528 C PHE A 93 12.078 8.519 -1.924 1.00 0.00 C ATOM 1529 O PHE A 93 11.354 7.568 -1.629 1.00 0.00 O ATOM 1530 CB PHE A 93 11.139 10.865 -2.098 1.00 0.00 C ATOM 1531 CG PHE A 93 9.818 10.377 -2.622 1.00 0.00 C ATOM 1532 CD1 PHE A 93 8.891 9.772 -1.788 1.00 0.00 C ATOM 1533 CD2 PHE A 93 9.504 10.540 -3.958 1.00 0.00 C ATOM 1534 CE1 PHE A 93 7.678 9.334 -2.287 1.00 0.00 C ATOM 1535 CE2 PHE A 93 8.297 10.107 -4.459 1.00 0.00 C ATOM 1536 CZ PHE A 93 7.382 9.505 -3.626 1.00 0.00 C ATOM 0 H PHE A 93 13.397 11.335 -1.370 1.00 0.00 H new ATOM 0 HA PHE A 93 11.352 9.685 -0.311 1.00 0.00 H new ATOM 0 HB2 PHE A 93 10.967 11.771 -1.518 1.00 0.00 H new ATOM 0 HB3 PHE A 93 11.765 11.143 -2.945 1.00 0.00 H new ATOM 0 HD1 PHE A 93 9.118 9.642 -0.740 1.00 0.00 H new ATOM 0 HD2 PHE A 93 10.215 11.014 -4.618 1.00 0.00 H new ATOM 0 HE1 PHE A 93 6.963 8.859 -1.631 1.00 0.00 H new ATOM 0 HE2 PHE A 93 8.068 10.240 -5.506 1.00 0.00 H new ATOM 0 HZ PHE A 93 6.434 9.167 -4.018 1.00 0.00 H new ATOM 1546 N ALA A 94 13.058 8.434 -2.817 1.00 0.00 N ATOM 1547 CA ALA A 94 13.331 7.204 -3.552 1.00 0.00 C ATOM 1548 C ALA A 94 13.765 6.072 -2.628 1.00 0.00 C ATOM 1549 O ALA A 94 13.547 4.898 -2.920 1.00 0.00 O ATOM 1550 CB ALA A 94 14.399 7.453 -4.600 1.00 0.00 C ATOM 0 H ALA A 94 13.680 9.208 -3.050 1.00 0.00 H new ATOM 0 HA ALA A 94 12.404 6.898 -4.037 1.00 0.00 H new ATOM 0 HB1 ALA A 94 14.597 6.530 -5.144 1.00 0.00 H new ATOM 0 HB2 ALA A 94 14.054 8.218 -5.296 1.00 0.00 H new ATOM 0 HB3 ALA A 94 15.314 7.791 -4.114 1.00 0.00 H new ATOM 1556 N SER A 95 14.387 6.425 -1.516 1.00 0.00 N ATOM 1557 CA SER A 95 14.850 5.432 -0.565 1.00 0.00 C ATOM 1558 C SER A 95 13.681 4.899 0.261 1.00 0.00 C ATOM 1559 O SER A 95 13.529 3.688 0.438 1.00 0.00 O ATOM 1560 CB SER A 95 15.914 6.049 0.339 1.00 0.00 C ATOM 1561 OG SER A 95 16.900 6.721 -0.430 1.00 0.00 O ATOM 0 H SER A 95 14.582 7.390 -1.251 1.00 0.00 H new ATOM 0 HA SER A 95 15.289 4.594 -1.106 1.00 0.00 H new ATOM 0 HB2 SER A 95 15.447 6.749 1.032 1.00 0.00 H new ATOM 0 HB3 SER A 95 16.383 5.270 0.940 1.00 0.00 H new ATOM 0 HG SER A 95 16.530 7.560 -0.776 1.00 0.00 H new ATOM 1567 N LEU A 96 12.836 5.810 0.731 1.00 0.00 N ATOM 1568 CA LEU A 96 11.701 5.448 1.574 1.00 0.00 C ATOM 1569 C LEU A 96 10.635 4.691 0.792 1.00 0.00 C ATOM 1570 O LEU A 96 10.034 3.749 1.310 1.00 0.00 O ATOM 1571 CB LEU A 96 11.082 6.692 2.227 1.00 0.00 C ATOM 1572 CG LEU A 96 11.745 7.162 3.530 1.00 0.00 C ATOM 1573 CD1 LEU A 96 11.752 6.042 4.562 1.00 0.00 C ATOM 1574 CD2 LEU A 96 13.159 7.660 3.282 1.00 0.00 C ATOM 0 H LEU A 96 12.916 6.809 0.542 1.00 0.00 H new ATOM 0 HA LEU A 96 12.082 4.790 2.355 1.00 0.00 H new ATOM 0 HB2 LEU A 96 11.115 7.511 1.509 1.00 0.00 H new ATOM 0 HB3 LEU A 96 10.031 6.488 2.429 1.00 0.00 H new ATOM 0 HG LEU A 96 11.158 7.994 3.919 1.00 0.00 H new ATOM 0 HD11 LEU A 96 12.226 6.394 5.478 1.00 0.00 H new ATOM 0 HD12 LEU A 96 10.727 5.739 4.777 1.00 0.00 H new ATOM 0 HD13 LEU A 96 12.308 5.190 4.171 1.00 0.00 H new ATOM 0 HD21 LEU A 96 13.601 7.985 4.224 1.00 0.00 H new ATOM 0 HD22 LEU A 96 13.759 6.855 2.859 1.00 0.00 H new ATOM 0 HD23 LEU A 96 13.133 8.498 2.585 1.00 0.00 H new ATOM 1586 N VAL A 97 10.404 5.095 -0.453 1.00 0.00 N ATOM 1587 CA VAL A 97 9.390 4.449 -1.282 1.00 0.00 C ATOM 1588 C VAL A 97 9.746 2.983 -1.541 1.00 0.00 C ATOM 1589 O VAL A 97 8.865 2.127 -1.623 1.00 0.00 O ATOM 1590 CB VAL A 97 9.169 5.193 -2.623 1.00 0.00 C ATOM 1591 CG1 VAL A 97 10.386 5.100 -3.530 1.00 0.00 C ATOM 1592 CG2 VAL A 97 7.932 4.666 -3.330 1.00 0.00 C ATOM 0 H VAL A 97 10.901 5.861 -0.908 1.00 0.00 H new ATOM 0 HA VAL A 97 8.454 4.491 -0.725 1.00 0.00 H new ATOM 0 HB VAL A 97 9.016 6.247 -2.390 1.00 0.00 H new ATOM 0 HG11 VAL A 97 10.189 5.635 -4.459 1.00 0.00 H new ATOM 0 HG12 VAL A 97 11.247 5.545 -3.031 1.00 0.00 H new ATOM 0 HG13 VAL A 97 10.596 4.053 -3.751 1.00 0.00 H new ATOM 0 HG21 VAL A 97 7.794 5.201 -4.269 1.00 0.00 H new ATOM 0 HG22 VAL A 97 8.054 3.602 -3.533 1.00 0.00 H new ATOM 0 HG23 VAL A 97 7.059 4.816 -2.695 1.00 0.00 H new ATOM 1602 N GLN A 98 11.037 2.698 -1.660 1.00 0.00 N ATOM 1603 CA GLN A 98 11.496 1.338 -1.901 1.00 0.00 C ATOM 1604 C GLN A 98 11.175 0.452 -0.695 1.00 0.00 C ATOM 1605 O GLN A 98 10.802 -0.713 -0.851 1.00 0.00 O ATOM 1606 CB GLN A 98 12.998 1.332 -2.202 1.00 0.00 C ATOM 1607 CG GLN A 98 13.503 0.029 -2.806 1.00 0.00 C ATOM 1608 CD GLN A 98 14.263 -0.837 -1.819 1.00 0.00 C ATOM 1609 OE1 GLN A 98 14.011 -0.809 -0.616 1.00 0.00 O ATOM 1610 NE2 GLN A 98 15.201 -1.614 -2.330 1.00 0.00 N ATOM 0 H GLN A 98 11.783 3.390 -1.593 1.00 0.00 H new ATOM 0 HA GLN A 98 10.974 0.935 -2.769 1.00 0.00 H new ATOM 0 HB2 GLN A 98 13.224 2.150 -2.886 1.00 0.00 H new ATOM 0 HB3 GLN A 98 13.544 1.528 -1.279 1.00 0.00 H new ATOM 0 HG2 GLN A 98 12.655 -0.535 -3.196 1.00 0.00 H new ATOM 0 HG3 GLN A 98 14.151 0.256 -3.653 1.00 0.00 H new ATOM 0 HE21 GLN A 98 15.378 -1.607 -3.334 1.00 0.00 H new ATOM 0 HE22 GLN A 98 15.748 -2.221 -1.720 1.00 0.00 H new ATOM 1619 N GLN A 99 11.293 1.025 0.503 1.00 0.00 N ATOM 1620 CA GLN A 99 10.963 0.308 1.735 1.00 0.00 C ATOM 1621 C GLN A 99 9.467 0.006 1.772 1.00 0.00 C ATOM 1622 O GLN A 99 9.047 -1.071 2.198 1.00 0.00 O ATOM 1623 CB GLN A 99 11.352 1.136 2.966 1.00 0.00 C ATOM 1624 CG GLN A 99 12.787 1.644 2.945 1.00 0.00 C ATOM 1625 CD GLN A 99 13.816 0.531 2.889 1.00 0.00 C ATOM 1626 OE1 GLN A 99 13.600 -0.568 3.400 1.00 0.00 O ATOM 1627 NE2 GLN A 99 14.951 0.819 2.272 1.00 0.00 N ATOM 0 H GLN A 99 11.614 1.982 0.647 1.00 0.00 H new ATOM 0 HA GLN A 99 11.525 -0.626 1.752 1.00 0.00 H new ATOM 0 HB2 GLN A 99 10.677 1.988 3.045 1.00 0.00 H new ATOM 0 HB3 GLN A 99 11.206 0.529 3.860 1.00 0.00 H new ATOM 0 HG2 GLN A 99 12.921 2.297 2.083 1.00 0.00 H new ATOM 0 HG3 GLN A 99 12.964 2.249 3.834 1.00 0.00 H new ATOM 0 HE21 GLN A 99 15.089 1.743 1.862 1.00 0.00 H new ATOM 0 HE22 GLN A 99 15.688 0.117 2.206 1.00 0.00 H new ATOM 1636 N HIS A 100 8.678 0.974 1.311 1.00 0.00 N ATOM 1637 CA HIS A 100 7.228 0.831 1.206 1.00 0.00 C ATOM 1638 C HIS A 100 6.896 -0.365 0.317 1.00 0.00 C ATOM 1639 O HIS A 100 6.027 -1.175 0.639 1.00 0.00 O ATOM 1640 CB HIS A 100 6.648 2.125 0.613 1.00 0.00 C ATOM 1641 CG HIS A 100 5.156 2.287 0.733 1.00 0.00 C ATOM 1642 ND1 HIS A 100 4.535 3.515 0.737 1.00 0.00 N ATOM 1643 CD2 HIS A 100 4.159 1.367 0.807 1.00 0.00 C ATOM 1644 CE1 HIS A 100 3.217 3.318 0.814 1.00 0.00 C ATOM 1645 NE2 HIS A 100 2.927 2.028 0.860 1.00 0.00 N ATOM 0 H HIS A 100 9.027 1.881 0.999 1.00 0.00 H new ATOM 0 HA HIS A 100 6.791 0.659 2.190 1.00 0.00 H new ATOM 0 HB2 HIS A 100 7.127 2.973 1.101 1.00 0.00 H new ATOM 0 HB3 HIS A 100 6.916 2.171 -0.442 1.00 0.00 H new ATOM 0 HD1 HIS A 100 5.002 4.421 0.689 1.00 0.00 H new ATOM 0 HD2 HIS A 100 4.296 0.296 0.822 1.00 0.00 H new ATOM 0 HE1 HIS A 100 2.482 4.109 0.836 1.00 0.00 H new ATOM 0 HE2 HIS A 100 2.001 1.605 0.921 1.00 0.00 H new ATOM 1653 N LEU A 101 7.624 -0.477 -0.789 1.00 0.00 N ATOM 1654 CA LEU A 101 7.449 -1.576 -1.732 1.00 0.00 C ATOM 1655 C LEU A 101 7.696 -2.924 -1.054 1.00 0.00 C ATOM 1656 O LEU A 101 6.916 -3.863 -1.212 1.00 0.00 O ATOM 1657 CB LEU A 101 8.404 -1.406 -2.917 1.00 0.00 C ATOM 1658 CG LEU A 101 8.280 -2.458 -4.019 1.00 0.00 C ATOM 1659 CD1 LEU A 101 6.924 -2.365 -4.698 1.00 0.00 C ATOM 1660 CD2 LEU A 101 9.400 -2.294 -5.033 1.00 0.00 C ATOM 0 H LEU A 101 8.349 0.189 -1.056 1.00 0.00 H new ATOM 0 HA LEU A 101 6.420 -1.556 -2.091 1.00 0.00 H new ATOM 0 HB2 LEU A 101 8.237 -0.423 -3.357 1.00 0.00 H new ATOM 0 HB3 LEU A 101 9.427 -1.418 -2.541 1.00 0.00 H new ATOM 0 HG LEU A 101 8.366 -3.446 -3.566 1.00 0.00 H new ATOM 0 HD11 LEU A 101 6.856 -3.122 -5.479 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.137 -2.530 -3.963 1.00 0.00 H new ATOM 0 HD13 LEU A 101 6.806 -1.376 -5.140 1.00 0.00 H new ATOM 0 HD21 LEU A 101 9.299 -3.050 -5.812 1.00 0.00 H new ATOM 0 HD22 LEU A 101 9.343 -1.302 -5.481 1.00 0.00 H new ATOM 0 HD23 LEU A 101 10.362 -2.413 -4.535 1.00 0.00 H new ATOM 1672 N GLN A 102 8.784 -3.008 -0.295 1.00 0.00 N ATOM 1673 CA GLN A 102 9.145 -4.229 0.410 1.00 0.00 C ATOM 1674 C GLN A 102 8.094 -4.585 1.457 1.00 0.00 C ATOM 1675 O GLN A 102 7.776 -5.758 1.664 1.00 0.00 O ATOM 1676 CB GLN A 102 10.507 -4.056 1.079 1.00 0.00 C ATOM 1677 CG GLN A 102 11.644 -3.785 0.108 1.00 0.00 C ATOM 1678 CD GLN A 102 11.839 -4.905 -0.896 1.00 0.00 C ATOM 1679 OE1 GLN A 102 12.578 -5.856 -0.644 1.00 0.00 O ATOM 1680 NE2 GLN A 102 11.187 -4.801 -2.043 1.00 0.00 N ATOM 0 H GLN A 102 9.435 -2.236 -0.153 1.00 0.00 H new ATOM 0 HA GLN A 102 9.196 -5.042 -0.314 1.00 0.00 H new ATOM 0 HB2 GLN A 102 10.448 -3.233 1.792 1.00 0.00 H new ATOM 0 HB3 GLN A 102 10.737 -4.956 1.649 1.00 0.00 H new ATOM 0 HG2 GLN A 102 11.446 -2.855 -0.426 1.00 0.00 H new ATOM 0 HG3 GLN A 102 12.568 -3.641 0.668 1.00 0.00 H new ATOM 0 HE21 GLN A 102 10.583 -3.997 -2.215 1.00 0.00 H new ATOM 0 HE22 GLN A 102 11.288 -5.525 -2.755 1.00 0.00 H new ATOM 1689 N ASP A 103 7.561 -3.559 2.110 1.00 0.00 N ATOM 1690 CA ASP A 103 6.529 -3.734 3.125 1.00 0.00 C ATOM 1691 C ASP A 103 5.278 -4.376 2.528 1.00 0.00 C ATOM 1692 O ASP A 103 4.763 -5.360 3.062 1.00 0.00 O ATOM 1693 CB ASP A 103 6.186 -2.378 3.758 1.00 0.00 C ATOM 1694 CG ASP A 103 4.967 -2.418 4.663 1.00 0.00 C ATOM 1695 OD1 ASP A 103 3.843 -2.560 4.189 1.00 0.00 O ATOM 1696 OD2 ASP A 103 5.070 -2.253 5.881 1.00 0.00 O ATOM 0 H ASP A 103 7.830 -2.588 1.952 1.00 0.00 H new ATOM 0 HA ASP A 103 6.912 -4.401 3.897 1.00 0.00 H new ATOM 0 HB2 ASP A 103 7.043 -2.028 4.333 1.00 0.00 H new ATOM 0 HB3 ASP A 103 6.015 -1.650 2.965 1.00 0.00 H new ATOM 1701 N GLU A 104 4.809 -3.834 1.406 1.00 0.00 N ATOM 1702 CA GLU A 104 3.580 -4.316 0.777 1.00 0.00 C ATOM 1703 C GLU A 104 3.745 -5.748 0.278 1.00 0.00 C ATOM 1704 O GLU A 104 2.771 -6.493 0.185 1.00 0.00 O ATOM 1705 CB GLU A 104 3.173 -3.410 -0.385 1.00 0.00 C ATOM 1706 CG GLU A 104 3.073 -1.937 -0.019 1.00 0.00 C ATOM 1707 CD GLU A 104 1.897 -1.591 0.881 1.00 0.00 C ATOM 1708 OE1 GLU A 104 1.232 -2.503 1.440 1.00 0.00 O ATOM 1709 OE2 GLU A 104 1.632 -0.383 1.049 1.00 0.00 O ATOM 0 H GLU A 104 5.260 -3.062 0.914 1.00 0.00 H new ATOM 0 HA GLU A 104 2.795 -4.297 1.533 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.897 -3.524 -1.192 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.210 -3.743 -0.771 1.00 0.00 H new ATOM 0 HG2 GLU A 104 3.995 -1.635 0.477 1.00 0.00 H new ATOM 0 HG3 GLU A 104 2.998 -1.352 -0.936 1.00 0.00 H new ATOM 1716 N GLN A 105 4.976 -6.136 -0.036 1.00 0.00 N ATOM 1717 CA GLN A 105 5.242 -7.501 -0.469 1.00 0.00 C ATOM 1718 C GLN A 105 4.965 -8.485 0.658 1.00 0.00 C ATOM 1719 O GLN A 105 4.521 -9.609 0.418 1.00 0.00 O ATOM 1720 CB GLN A 105 6.676 -7.658 -0.975 1.00 0.00 C ATOM 1721 CG GLN A 105 6.935 -6.924 -2.274 1.00 0.00 C ATOM 1722 CD GLN A 105 8.239 -7.334 -2.927 1.00 0.00 C ATOM 1723 OE1 GLN A 105 9.203 -7.701 -2.253 1.00 0.00 O ATOM 1724 NE2 GLN A 105 8.273 -7.295 -4.249 1.00 0.00 N ATOM 0 H GLN A 105 5.797 -5.532 0.001 1.00 0.00 H new ATOM 0 HA GLN A 105 4.570 -7.721 -1.298 1.00 0.00 H new ATOM 0 HB2 GLN A 105 7.365 -7.291 -0.214 1.00 0.00 H new ATOM 0 HB3 GLN A 105 6.891 -8.717 -1.115 1.00 0.00 H new ATOM 0 HG2 GLN A 105 6.113 -7.113 -2.964 1.00 0.00 H new ATOM 0 HG3 GLN A 105 6.950 -5.851 -2.083 1.00 0.00 H new ATOM 0 HE21 GLN A 105 7.454 -6.985 -4.771 1.00 0.00 H new ATOM 0 HE22 GLN A 105 9.119 -7.575 -4.746 1.00 0.00 H new ATOM 1733 N ARG A 106 5.217 -8.060 1.893 1.00 0.00 N ATOM 1734 CA ARG A 106 4.875 -8.874 3.046 1.00 0.00 C ATOM 1735 C ARG A 106 3.365 -8.881 3.247 1.00 0.00 C ATOM 1736 O ARG A 106 2.790 -9.879 3.681 1.00 0.00 O ATOM 1737 CB ARG A 106 5.559 -8.378 4.321 1.00 0.00 C ATOM 1738 CG ARG A 106 5.145 -9.189 5.534 1.00 0.00 C ATOM 1739 CD ARG A 106 5.641 -8.608 6.842 1.00 0.00 C ATOM 1740 NE ARG A 106 4.881 -9.166 7.957 1.00 0.00 N ATOM 1741 CZ ARG A 106 5.376 -9.996 8.874 1.00 0.00 C ATOM 1742 NH1 ARG A 106 6.673 -10.285 8.898 1.00 0.00 N ATOM 1743 NH2 ARG A 106 4.562 -10.542 9.767 1.00 0.00 N ATOM 0 H ARG A 106 5.653 -7.165 2.116 1.00 0.00 H new ATOM 0 HA ARG A 106 5.230 -9.886 2.849 1.00 0.00 H new ATOM 0 HB2 ARG A 106 6.641 -8.434 4.198 1.00 0.00 H new ATOM 0 HB3 ARG A 106 5.310 -7.329 4.483 1.00 0.00 H new ATOM 0 HG2 ARG A 106 4.057 -9.256 5.564 1.00 0.00 H new ATOM 0 HG3 ARG A 106 5.524 -10.206 5.429 1.00 0.00 H new ATOM 0 HD2 ARG A 106 6.701 -8.827 6.968 1.00 0.00 H new ATOM 0 HD3 ARG A 106 5.539 -7.523 6.829 1.00 0.00 H new ATOM 0 HE ARG A 106 3.900 -8.901 8.040 1.00 0.00 H new ATOM 0 HH11 ARG A 106 7.301 -9.870 8.210 1.00 0.00 H new ATOM 0 HH12 ARG A 106 7.041 -10.922 9.605 1.00 0.00 H new ATOM 0 HH21 ARG A 106 3.565 -10.325 9.748 1.00 0.00 H new ATOM 0 HH22 ARG A 106 4.932 -11.179 10.473 1.00 0.00 H new ATOM 1757 N HIS A 107 2.723 -7.767 2.906 1.00 0.00 N ATOM 1758 CA HIS A 107 1.273 -7.665 3.019 1.00 0.00 C ATOM 1759 C HIS A 107 0.617 -8.750 2.176 1.00 0.00 C ATOM 1760 O HIS A 107 -0.326 -9.401 2.613 1.00 0.00 O ATOM 1761 CB HIS A 107 0.777 -6.278 2.580 1.00 0.00 C ATOM 1762 CG HIS A 107 1.036 -5.188 3.580 1.00 0.00 C ATOM 1763 ND1 HIS A 107 0.313 -4.008 3.650 1.00 0.00 N ATOM 1764 CD2 HIS A 107 1.950 -5.127 4.582 1.00 0.00 C ATOM 1765 CE1 HIS A 107 0.801 -3.295 4.675 1.00 0.00 C ATOM 1766 NE2 HIS A 107 1.801 -3.923 5.269 1.00 0.00 N ATOM 0 H HIS A 107 3.181 -6.928 2.551 1.00 0.00 H new ATOM 0 HA HIS A 107 0.998 -7.802 4.065 1.00 0.00 H new ATOM 0 HB2 HIS A 107 1.258 -6.014 1.638 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -0.294 -6.332 2.387 1.00 0.00 H new ATOM 0 HD1 HIS A 107 -0.451 -3.732 3.034 1.00 0.00 H new ATOM 0 HD2 HIS A 107 2.678 -5.891 4.811 1.00 0.00 H new ATOM 0 HE1 HIS A 107 0.424 -2.329 4.977 1.00 0.00 H new ATOM 1773 N VAL A 108 1.156 -8.965 0.979 1.00 0.00 N ATOM 1774 CA VAL A 108 0.653 -9.998 0.083 1.00 0.00 C ATOM 1775 C VAL A 108 0.714 -11.376 0.744 1.00 0.00 C ATOM 1776 O VAL A 108 -0.278 -12.111 0.763 1.00 0.00 O ATOM 1777 CB VAL A 108 1.450 -10.033 -1.240 1.00 0.00 C ATOM 1778 CG1 VAL A 108 0.940 -11.133 -2.158 1.00 0.00 C ATOM 1779 CG2 VAL A 108 1.389 -8.681 -1.936 1.00 0.00 C ATOM 0 H VAL A 108 1.944 -8.435 0.608 1.00 0.00 H new ATOM 0 HA VAL A 108 -0.386 -9.751 -0.137 1.00 0.00 H new ATOM 0 HB VAL A 108 2.491 -10.252 -1.001 1.00 0.00 H new ATOM 0 HG11 VAL A 108 1.519 -11.134 -3.081 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.045 -12.098 -1.663 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.110 -10.956 -2.389 1.00 0.00 H new ATOM 0 HG21 VAL A 108 1.956 -8.725 -2.866 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.351 -8.431 -2.155 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.816 -7.918 -1.286 1.00 0.00 H new ATOM 1789 N GLU A 109 1.876 -11.729 1.293 1.00 0.00 N ATOM 1790 CA GLU A 109 2.047 -13.047 1.892 1.00 0.00 C ATOM 1791 C GLU A 109 1.216 -13.209 3.166 1.00 0.00 C ATOM 1792 O GLU A 109 0.729 -14.297 3.445 1.00 0.00 O ATOM 1793 CB GLU A 109 3.518 -13.385 2.162 1.00 0.00 C ATOM 1794 CG GLU A 109 4.206 -12.492 3.173 1.00 0.00 C ATOM 1795 CD GLU A 109 5.464 -13.124 3.722 1.00 0.00 C ATOM 1796 OE1 GLU A 109 6.511 -13.071 3.053 1.00 0.00 O ATOM 1797 OE2 GLU A 109 5.402 -13.699 4.827 1.00 0.00 O ATOM 0 H GLU A 109 2.700 -11.129 1.334 1.00 0.00 H new ATOM 0 HA GLU A 109 1.678 -13.760 1.154 1.00 0.00 H new ATOM 0 HB2 GLU A 109 3.580 -14.416 2.509 1.00 0.00 H new ATOM 0 HB3 GLU A 109 4.066 -13.332 1.221 1.00 0.00 H new ATOM 0 HG2 GLU A 109 4.453 -11.539 2.706 1.00 0.00 H new ATOM 0 HG3 GLU A 109 3.521 -12.277 3.993 1.00 0.00 H new ATOM 1804 N GLU A 110 1.053 -12.146 3.945 1.00 0.00 N ATOM 1805 CA GLU A 110 0.229 -12.233 5.148 1.00 0.00 C ATOM 1806 C GLU A 110 -1.242 -12.416 4.776 1.00 0.00 C ATOM 1807 O GLU A 110 -1.998 -13.048 5.513 1.00 0.00 O ATOM 1808 CB GLU A 110 0.432 -11.018 6.060 1.00 0.00 C ATOM 1809 CG GLU A 110 1.820 -10.976 6.682 1.00 0.00 C ATOM 1810 CD GLU A 110 1.935 -10.007 7.844 1.00 0.00 C ATOM 1811 OE1 GLU A 110 2.140 -8.800 7.606 1.00 0.00 O ATOM 1812 OE2 GLU A 110 1.872 -10.457 9.010 1.00 0.00 O ATOM 0 H GLU A 110 1.470 -11.231 3.772 1.00 0.00 H new ATOM 0 HA GLU A 110 0.547 -13.109 5.713 1.00 0.00 H new ATOM 0 HB2 GLU A 110 0.268 -10.106 5.486 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -0.316 -11.034 6.852 1.00 0.00 H new ATOM 0 HG2 GLU A 110 2.086 -11.976 7.026 1.00 0.00 H new ATOM 0 HG3 GLU A 110 2.544 -10.699 5.916 1.00 0.00 H new ATOM 1819 N ILE A 111 -1.633 -11.879 3.621 1.00 0.00 N ATOM 1820 CA ILE A 111 -2.978 -12.091 3.093 1.00 0.00 C ATOM 1821 C ILE A 111 -3.193 -13.561 2.720 1.00 0.00 C ATOM 1822 O ILE A 111 -4.012 -14.250 3.325 1.00 0.00 O ATOM 1823 CB ILE A 111 -3.256 -11.219 1.844 1.00 0.00 C ATOM 1824 CG1 ILE A 111 -3.241 -9.729 2.190 1.00 0.00 C ATOM 1825 CG2 ILE A 111 -4.588 -11.592 1.203 1.00 0.00 C ATOM 1826 CD1 ILE A 111 -4.375 -9.287 3.092 1.00 0.00 C ATOM 0 H ILE A 111 -1.037 -11.295 3.034 1.00 0.00 H new ATOM 0 HA ILE A 111 -3.669 -11.802 3.885 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.457 -11.413 1.129 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -2.294 -9.490 2.673 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -3.282 -9.153 1.266 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -4.759 -10.965 0.328 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -4.566 -12.639 0.900 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -5.393 -11.439 1.922 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -4.289 -8.218 3.287 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -5.328 -9.491 2.605 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -4.325 -9.833 4.034 1.00 0.00 H new ATOM 1838 N GLU A 112 -2.446 -14.038 1.727 1.00 0.00 N ATOM 1839 CA GLU A 112 -2.683 -15.362 1.178 1.00 0.00 C ATOM 1840 C GLU A 112 -1.429 -16.240 1.175 1.00 0.00 C ATOM 1841 O GLU A 112 -1.538 -17.467 1.087 1.00 0.00 O ATOM 1842 CB GLU A 112 -3.201 -15.216 -0.247 1.00 0.00 C ATOM 1843 CG GLU A 112 -2.291 -14.392 -1.143 1.00 0.00 C ATOM 1844 CD GLU A 112 -2.795 -14.303 -2.564 1.00 0.00 C ATOM 1845 OE1 GLU A 112 -2.654 -15.295 -3.310 1.00 0.00 O ATOM 1846 OE2 GLU A 112 -3.326 -13.242 -2.948 1.00 0.00 O ATOM 0 H GLU A 112 -1.677 -13.528 1.291 1.00 0.00 H new ATOM 0 HA GLU A 112 -3.415 -15.857 1.816 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -3.326 -16.207 -0.683 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -4.187 -14.753 -0.221 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -2.197 -13.387 -0.732 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -1.293 -14.831 -1.143 1.00 0.00 H new