USER MOD reduce.3.24.130724 H: found=0, std=0, add=850, rem=0, adj=16 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 102 GLN : amide:sc= -0.0507 K(o=-0.058,f=-0.7) USER MOD Set 1.2: A 105 GLN : amide:sc=-0.00694 K(o=-0.058,f=-0.63) USER MOD Set 2.1: A 37 ASN : amide:sc= 0.852 K(o=-8.3,f=-15!) USER MOD Set 2.2: A 77 HIS : no HE2:sc= -1.84 K(o=-8.3,f=-18!) USER MOD Set 2.3: A 81 HIS : no HE2:sc= 2.1 K(o=-8.3,f=-25!) USER MOD Set 2.4: A 100 HIS : no HE2:sc= -3.77! C(o=-8.3!,f=-24!) USER MOD Set 2.5: A 107 HIS : no HE2:sc= -5.68! C(o=-8.3!,f=-13!) USER MOD Set 3.1: A 42 LYS NZ :NH3+ 138:sc= 0.0287 (180deg=0) USER MOD Set 3.2: A 46 GLN : amide:sc= -0.0444 K(o=-0.016,f=-2.9) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.115 K(o=-0.11,f=-0.76) USER MOD Single : A 13 GLN : amide:sc= -0.0876 K(o=-0.088,f=-0.63) USER MOD Single : A 16 LYS NZ :NH3+ -153:sc= 1.24 (180deg=1.07) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -172:sc= 1.27 (180deg=0.873) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 2.49 (180deg=2.49) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.174 K(o=-0.17,f=-1) USER MOD Single : A 38 GLN : amide:sc= -0.105 K(o=-0.11,f=-1.4!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= -0.163 (180deg=-0.163) USER MOD Single : A 49 LYS NZ :NH3+ -152:sc= 0.791 (180deg=0.343) USER MOD Single : A 51 TYR OH : rot 53:sc= 0.618 USER MOD Single : A 52 LYS NZ :NH3+ -128:sc= 0.00144 (180deg=-0.105) USER MOD Single : A 57 LYS NZ :NH3+ 167:sc= -0.0366 (180deg=-0.252) USER MOD Single : A 60 ASN : amide:sc= -0.49 K(o=-0.49,f=-6.7!) USER MOD Single : A 63 LYS NZ :NH3+ 164:sc= -0.0413 (180deg=-0.262) USER MOD Single : A 65 GLN : amide:sc= -6.17! C(o=-6.2!,f=-1.5!) USER MOD Single : A 69 LYS NZ :NH3+ -161:sc= 1.17 (180deg=1.02) USER MOD Single : A 76 LYS NZ :NH3+ -168:sc= -0.0377 (180deg=-0.274) USER MOD Single : A 82 LYS NZ :NH3+ 171:sc= 1.28 (180deg=0.904) USER MOD Single : A 92 GLN : amide:sc= -0.15 X(o=-0.15,f=-0.15) USER MOD Single : A 95 SER OG : rot 72:sc= 0.786 USER MOD Single : A 98 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 99 GLN : amide:sc= -1.21 K(o=-1.2,f=-6!) USER MOD ----------------------------------------------------------------- ATOM 105 N LEU A 7 -10.315 -7.359 -3.582 1.00 0.00 N ATOM 106 CA LEU A 7 -9.597 -6.605 -2.561 1.00 0.00 C ATOM 107 C LEU A 7 -8.085 -6.687 -2.759 1.00 0.00 C ATOM 108 O LEU A 7 -7.356 -5.764 -2.397 1.00 0.00 O ATOM 109 CB LEU A 7 -9.976 -7.114 -1.168 1.00 0.00 C ATOM 110 CG LEU A 7 -11.474 -7.080 -0.849 1.00 0.00 C ATOM 111 CD1 LEU A 7 -11.728 -7.564 0.570 1.00 0.00 C ATOM 112 CD2 LEU A 7 -12.034 -5.679 -1.041 1.00 0.00 C ATOM 0 HA LEU A 7 -9.887 -5.558 -2.654 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.621 -8.139 -1.064 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -9.448 -6.517 -0.424 1.00 0.00 H new ATOM 0 HG LEU A 7 -11.985 -7.750 -1.540 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -12.797 -7.533 0.779 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -11.367 -8.587 0.676 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -11.202 -6.919 1.274 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -13.099 -5.678 -0.809 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -11.517 -4.986 -0.377 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -11.888 -5.367 -2.075 1.00 0.00 H new ATOM 124 N LEU A 8 -7.623 -7.789 -3.339 1.00 0.00 N ATOM 125 CA LEU A 8 -6.199 -7.996 -3.587 1.00 0.00 C ATOM 126 C LEU A 8 -5.637 -6.948 -4.548 1.00 0.00 C ATOM 127 O LEU A 8 -4.473 -6.558 -4.446 1.00 0.00 O ATOM 128 CB LEU A 8 -5.968 -9.395 -4.158 1.00 0.00 C ATOM 129 CG LEU A 8 -6.372 -10.553 -3.243 1.00 0.00 C ATOM 130 CD1 LEU A 8 -6.198 -11.883 -3.958 1.00 0.00 C ATOM 131 CD2 LEU A 8 -5.556 -10.532 -1.960 1.00 0.00 C ATOM 0 H LEU A 8 -8.217 -8.558 -3.648 1.00 0.00 H new ATOM 0 HA LEU A 8 -5.677 -7.895 -2.635 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.521 -9.483 -5.093 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.911 -9.499 -4.402 1.00 0.00 H new ATOM 0 HG LEU A 8 -7.424 -10.433 -2.985 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -6.490 -12.695 -3.292 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.825 -11.902 -4.850 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.154 -12.008 -4.246 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.858 -11.363 -1.323 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.497 -10.626 -2.201 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.727 -9.592 -1.435 1.00 0.00 H new ATOM 143 N LYS A 9 -6.476 -6.484 -5.469 1.00 0.00 N ATOM 144 CA LYS A 9 -6.058 -5.517 -6.482 1.00 0.00 C ATOM 145 C LYS A 9 -5.580 -4.209 -5.848 1.00 0.00 C ATOM 146 O LYS A 9 -4.655 -3.572 -6.352 1.00 0.00 O ATOM 147 CB LYS A 9 -7.212 -5.239 -7.452 1.00 0.00 C ATOM 148 CG LYS A 9 -6.898 -4.172 -8.492 1.00 0.00 C ATOM 149 CD LYS A 9 -8.112 -3.842 -9.344 1.00 0.00 C ATOM 150 CE LYS A 9 -7.871 -2.608 -10.201 1.00 0.00 C ATOM 151 NZ LYS A 9 -9.088 -2.196 -10.950 1.00 0.00 N ATOM 0 H LYS A 9 -7.455 -6.763 -5.536 1.00 0.00 H new ATOM 0 HA LYS A 9 -5.220 -5.949 -7.029 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -7.475 -6.165 -7.963 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.088 -4.930 -6.881 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -6.548 -3.269 -7.992 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -6.086 -4.516 -9.133 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -8.350 -4.691 -9.985 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -8.976 -3.677 -8.700 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -7.542 -1.786 -9.566 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -7.064 -2.809 -10.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -8.876 -1.352 -11.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -9.389 -2.970 -11.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -9.852 -1.978 -10.279 1.00 0.00 H new ATOM 165 N ALA A 10 -6.202 -3.826 -4.738 1.00 0.00 N ATOM 166 CA ALA A 10 -5.899 -2.560 -4.078 1.00 0.00 C ATOM 167 C ALA A 10 -4.428 -2.468 -3.670 1.00 0.00 C ATOM 168 O ALA A 10 -3.765 -1.464 -3.938 1.00 0.00 O ATOM 169 CB ALA A 10 -6.799 -2.382 -2.867 1.00 0.00 C ATOM 0 H ALA A 10 -6.923 -4.378 -4.274 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.087 -1.757 -4.790 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.568 -1.435 -2.378 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -7.841 -2.382 -3.185 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.634 -3.201 -2.167 1.00 0.00 H new ATOM 175 N GLU A 11 -3.916 -3.524 -3.048 1.00 0.00 N ATOM 176 CA GLU A 11 -2.526 -3.548 -2.611 1.00 0.00 C ATOM 177 C GLU A 11 -1.599 -3.602 -3.822 1.00 0.00 C ATOM 178 O GLU A 11 -0.585 -2.905 -3.875 1.00 0.00 O ATOM 179 CB GLU A 11 -2.278 -4.750 -1.692 1.00 0.00 C ATOM 180 CG GLU A 11 -0.877 -4.801 -1.098 1.00 0.00 C ATOM 181 CD GLU A 11 -0.627 -3.725 -0.053 1.00 0.00 C ATOM 182 OE1 GLU A 11 -0.540 -2.543 -0.398 1.00 0.00 O ATOM 183 OE2 GLU A 11 -0.482 -4.054 1.143 1.00 0.00 O ATOM 0 H GLU A 11 -4.441 -4.372 -2.836 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.317 -2.637 -2.050 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.005 -4.728 -0.880 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.456 -5.666 -2.255 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.717 -5.780 -0.647 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.146 -4.696 -1.900 1.00 0.00 H new ATOM 190 N GLN A 12 -1.979 -4.412 -4.808 1.00 0.00 N ATOM 191 CA GLN A 12 -1.200 -4.568 -6.027 1.00 0.00 C ATOM 192 C GLN A 12 -1.051 -3.238 -6.762 1.00 0.00 C ATOM 193 O GLN A 12 0.034 -2.902 -7.242 1.00 0.00 O ATOM 194 CB GLN A 12 -1.867 -5.596 -6.943 1.00 0.00 C ATOM 195 CG GLN A 12 -1.880 -7.010 -6.379 1.00 0.00 C ATOM 196 CD GLN A 12 -0.487 -7.586 -6.210 1.00 0.00 C ATOM 197 OE1 GLN A 12 0.435 -7.246 -6.953 1.00 0.00 O ATOM 198 NE2 GLN A 12 -0.325 -8.470 -5.239 1.00 0.00 N ATOM 0 H GLN A 12 -2.830 -4.974 -4.782 1.00 0.00 H new ATOM 0 HA GLN A 12 -0.205 -4.917 -5.751 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -2.893 -5.283 -7.137 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -1.349 -5.603 -7.902 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -2.387 -7.007 -5.414 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -2.458 -7.655 -7.041 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -1.114 -8.725 -4.645 1.00 0.00 H new ATOM 0 HE22 GLN A 12 0.589 -8.896 -5.085 1.00 0.00 H new ATOM 207 N GLN A 13 -2.145 -2.487 -6.838 1.00 0.00 N ATOM 208 CA GLN A 13 -2.149 -1.194 -7.516 1.00 0.00 C ATOM 209 C GLN A 13 -1.175 -0.236 -6.848 1.00 0.00 C ATOM 210 O GLN A 13 -0.420 0.468 -7.523 1.00 0.00 O ATOM 211 CB GLN A 13 -3.559 -0.595 -7.510 1.00 0.00 C ATOM 212 CG GLN A 13 -3.687 0.687 -8.324 1.00 0.00 C ATOM 213 CD GLN A 13 -3.379 0.482 -9.795 1.00 0.00 C ATOM 214 OE1 GLN A 13 -3.601 -0.593 -10.350 1.00 0.00 O ATOM 215 NE2 GLN A 13 -2.863 1.517 -10.438 1.00 0.00 N ATOM 0 H GLN A 13 -3.044 -2.753 -6.437 1.00 0.00 H new ATOM 0 HA GLN A 13 -1.834 -1.348 -8.548 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -4.259 -1.334 -7.901 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -3.853 -0.391 -6.480 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -4.699 1.078 -8.220 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -3.011 1.439 -7.917 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -2.693 2.392 -9.943 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -2.635 1.440 -11.429 1.00 0.00 H new ATOM 224 N GLY A 14 -1.193 -0.222 -5.522 1.00 0.00 N ATOM 225 CA GLY A 14 -0.280 0.619 -4.775 1.00 0.00 C ATOM 226 C GLY A 14 1.170 0.280 -5.067 1.00 0.00 C ATOM 227 O GLY A 14 1.984 1.168 -5.318 1.00 0.00 O ATOM 0 H GLY A 14 -1.826 -0.780 -4.949 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.465 1.664 -5.022 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.472 0.505 -3.708 1.00 0.00 H new ATOM 231 N ILE A 15 1.481 -1.011 -5.061 1.00 0.00 N ATOM 232 CA ILE A 15 2.834 -1.483 -5.340 1.00 0.00 C ATOM 233 C ILE A 15 3.262 -1.104 -6.758 1.00 0.00 C ATOM 234 O ILE A 15 4.413 -0.726 -6.992 1.00 0.00 O ATOM 235 CB ILE A 15 2.937 -3.015 -5.169 1.00 0.00 C ATOM 236 CG1 ILE A 15 2.509 -3.424 -3.758 1.00 0.00 C ATOM 237 CG2 ILE A 15 4.356 -3.497 -5.454 1.00 0.00 C ATOM 238 CD1 ILE A 15 2.491 -4.924 -3.533 1.00 0.00 C ATOM 0 H ILE A 15 0.811 -1.754 -4.865 1.00 0.00 H new ATOM 0 HA ILE A 15 3.499 -1.001 -4.623 1.00 0.00 H new ATOM 0 HB ILE A 15 2.265 -3.485 -5.888 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.186 -2.966 -3.036 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.514 -3.025 -3.560 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.405 -4.579 -5.328 1.00 0.00 H new ATOM 0 HG22 ILE A 15 4.630 -3.238 -6.477 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.049 -3.019 -4.761 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.178 -5.135 -2.510 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.793 -5.388 -4.229 1.00 0.00 H new ATOM 0 HD13 ILE A 15 3.490 -5.329 -3.697 1.00 0.00 H new ATOM 250 N LYS A 16 2.326 -1.207 -7.695 1.00 0.00 N ATOM 251 CA LYS A 16 2.590 -0.874 -9.087 1.00 0.00 C ATOM 252 C LYS A 16 2.989 0.596 -9.208 1.00 0.00 C ATOM 253 O LYS A 16 3.970 0.930 -9.873 1.00 0.00 O ATOM 254 CB LYS A 16 1.350 -1.175 -9.943 1.00 0.00 C ATOM 255 CG LYS A 16 1.638 -1.412 -11.424 1.00 0.00 C ATOM 256 CD LYS A 16 2.024 -0.133 -12.155 1.00 0.00 C ATOM 257 CE LYS A 16 2.316 -0.395 -13.624 1.00 0.00 C ATOM 258 NZ LYS A 16 2.689 0.851 -14.344 1.00 0.00 N ATOM 0 H LYS A 16 1.373 -1.521 -7.513 1.00 0.00 H new ATOM 0 HA LYS A 16 3.416 -1.485 -9.451 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.851 -2.056 -9.538 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.652 -0.343 -9.851 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.443 -2.140 -11.522 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.757 -1.845 -11.897 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.217 0.594 -12.068 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.902 0.307 -11.682 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.125 -1.120 -13.710 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.439 -0.838 -14.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.441 0.758 -15.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.175 1.656 -13.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.713 1.011 -14.253 1.00 0.00 H new ATOM 272 N ILE A 17 2.236 1.466 -8.544 1.00 0.00 N ATOM 273 CA ILE A 17 2.526 2.895 -8.562 1.00 0.00 C ATOM 274 C ILE A 17 3.872 3.184 -7.891 1.00 0.00 C ATOM 275 O ILE A 17 4.634 4.040 -8.347 1.00 0.00 O ATOM 276 CB ILE A 17 1.407 3.707 -7.871 1.00 0.00 C ATOM 277 CG1 ILE A 17 0.061 3.434 -8.550 1.00 0.00 C ATOM 278 CG2 ILE A 17 1.727 5.197 -7.909 1.00 0.00 C ATOM 279 CD1 ILE A 17 -1.107 4.154 -7.909 1.00 0.00 C ATOM 0 H ILE A 17 1.421 1.207 -7.987 1.00 0.00 H new ATOM 0 HA ILE A 17 2.577 3.204 -9.606 1.00 0.00 H new ATOM 0 HB ILE A 17 1.344 3.395 -6.829 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.127 3.730 -9.597 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.132 2.361 -8.533 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.928 5.753 -7.418 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.668 5.380 -7.391 1.00 0.00 H new ATOM 0 HG23 ILE A 17 1.813 5.524 -8.945 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.024 3.910 -8.446 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.201 3.841 -6.869 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.938 5.230 -7.950 1.00 0.00 H new ATOM 291 N LEU A 18 4.166 2.448 -6.823 1.00 0.00 N ATOM 292 CA LEU A 18 5.436 2.586 -6.111 1.00 0.00 C ATOM 293 C LEU A 18 6.620 2.338 -7.044 1.00 0.00 C ATOM 294 O LEU A 18 7.652 3.008 -6.946 1.00 0.00 O ATOM 295 CB LEU A 18 5.495 1.610 -4.934 1.00 0.00 C ATOM 296 CG LEU A 18 4.525 1.902 -3.790 1.00 0.00 C ATOM 297 CD1 LEU A 18 4.573 0.783 -2.762 1.00 0.00 C ATOM 298 CD2 LEU A 18 4.853 3.237 -3.135 1.00 0.00 C ATOM 0 H LEU A 18 3.540 1.746 -6.429 1.00 0.00 H new ATOM 0 HA LEU A 18 5.499 3.608 -5.736 1.00 0.00 H new ATOM 0 HB2 LEU A 18 5.298 0.605 -5.307 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.510 1.609 -4.536 1.00 0.00 H new ATOM 0 HG LEU A 18 3.516 1.960 -4.199 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.878 1.003 -1.952 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.293 -0.158 -3.235 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.583 0.701 -2.361 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.151 3.426 -2.323 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.868 3.208 -2.738 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.776 4.034 -3.875 1.00 0.00 H new ATOM 310 N LYS A 19 6.461 1.379 -7.952 1.00 0.00 N ATOM 311 CA LYS A 19 7.503 1.047 -8.921 1.00 0.00 C ATOM 312 C LYS A 19 7.791 2.226 -9.842 1.00 0.00 C ATOM 313 O LYS A 19 8.941 2.457 -10.228 1.00 0.00 O ATOM 314 CB LYS A 19 7.093 -0.162 -9.759 1.00 0.00 C ATOM 315 CG LYS A 19 7.051 -1.467 -8.983 1.00 0.00 C ATOM 316 CD LYS A 19 6.631 -2.618 -9.879 1.00 0.00 C ATOM 317 CE LYS A 19 6.715 -3.952 -9.159 1.00 0.00 C ATOM 318 NZ LYS A 19 6.348 -5.077 -10.055 1.00 0.00 N ATOM 0 H LYS A 19 5.616 0.815 -8.037 1.00 0.00 H new ATOM 0 HA LYS A 19 8.408 0.808 -8.362 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.109 0.024 -10.190 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.790 -0.268 -10.590 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.033 -1.673 -8.557 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.354 -1.377 -8.150 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.610 -2.455 -10.225 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.268 -2.641 -10.763 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.727 -4.100 -8.782 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.051 -3.943 -8.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.416 -5.973 -9.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.374 -4.947 -10.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.997 -5.100 -10.867 1.00 0.00 H new ATOM 332 N GLU A 20 6.746 2.968 -10.189 1.00 0.00 N ATOM 333 CA GLU A 20 6.885 4.123 -11.067 1.00 0.00 C ATOM 334 C GLU A 20 7.572 5.263 -10.322 1.00 0.00 C ATOM 335 O GLU A 20 8.351 6.024 -10.899 1.00 0.00 O ATOM 336 CB GLU A 20 5.513 4.585 -11.571 1.00 0.00 C ATOM 337 CG GLU A 20 4.671 3.474 -12.183 1.00 0.00 C ATOM 338 CD GLU A 20 5.367 2.753 -13.320 1.00 0.00 C ATOM 339 OE1 GLU A 20 6.165 3.388 -14.036 1.00 0.00 O ATOM 340 OE2 GLU A 20 5.115 1.544 -13.508 1.00 0.00 O ATOM 0 H GLU A 20 5.792 2.790 -9.875 1.00 0.00 H new ATOM 0 HA GLU A 20 7.493 3.835 -11.925 1.00 0.00 H new ATOM 0 HB2 GLU A 20 4.963 5.028 -10.741 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.656 5.370 -12.314 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.414 2.753 -11.407 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.735 3.896 -12.548 1.00 0.00 H new ATOM 347 N VAL A 21 7.279 5.366 -9.029 1.00 0.00 N ATOM 348 CA VAL A 21 7.889 6.380 -8.174 1.00 0.00 C ATOM 349 C VAL A 21 9.399 6.177 -8.080 1.00 0.00 C ATOM 350 O VAL A 21 10.165 7.140 -8.103 1.00 0.00 O ATOM 351 CB VAL A 21 7.279 6.363 -6.755 1.00 0.00 C ATOM 352 CG1 VAL A 21 7.979 7.362 -5.848 1.00 0.00 C ATOM 353 CG2 VAL A 21 5.791 6.658 -6.814 1.00 0.00 C ATOM 0 H VAL A 21 6.619 4.756 -8.548 1.00 0.00 H new ATOM 0 HA VAL A 21 7.685 7.349 -8.630 1.00 0.00 H new ATOM 0 HB VAL A 21 7.423 5.366 -6.338 1.00 0.00 H new ATOM 0 HG11 VAL A 21 7.530 7.329 -4.855 1.00 0.00 H new ATOM 0 HG12 VAL A 21 9.037 7.109 -5.776 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.873 8.365 -6.261 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.377 6.642 -5.806 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.632 7.642 -7.256 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.294 5.902 -7.422 1.00 0.00 H new ATOM 363 N LEU A 22 9.817 4.916 -7.994 1.00 0.00 N ATOM 364 CA LEU A 22 11.238 4.576 -7.943 1.00 0.00 C ATOM 365 C LEU A 22 11.979 5.158 -9.145 1.00 0.00 C ATOM 366 O LEU A 22 13.131 5.581 -9.034 1.00 0.00 O ATOM 367 CB LEU A 22 11.421 3.056 -7.907 1.00 0.00 C ATOM 368 CG LEU A 22 10.903 2.362 -6.646 1.00 0.00 C ATOM 369 CD1 LEU A 22 11.020 0.851 -6.782 1.00 0.00 C ATOM 370 CD2 LEU A 22 11.666 2.847 -5.419 1.00 0.00 C ATOM 0 H LEU A 22 9.191 4.111 -7.958 1.00 0.00 H new ATOM 0 HA LEU A 22 11.656 5.008 -7.034 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.916 2.626 -8.772 1.00 0.00 H new ATOM 0 HB3 LEU A 22 12.482 2.832 -8.014 1.00 0.00 H new ATOM 0 HG LEU A 22 9.850 2.616 -6.521 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.647 0.374 -5.876 1.00 0.00 H new ATOM 0 HD12 LEU A 22 10.432 0.516 -7.637 1.00 0.00 H new ATOM 0 HD13 LEU A 22 12.065 0.579 -6.931 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.285 2.343 -4.531 1.00 0.00 H new ATOM 0 HD22 LEU A 22 12.726 2.622 -5.537 1.00 0.00 H new ATOM 0 HD23 LEU A 22 11.534 3.923 -5.310 1.00 0.00 H new ATOM 382 N LYS A 23 11.306 5.180 -10.290 1.00 0.00 N ATOM 383 CA LYS A 23 11.886 5.714 -11.518 1.00 0.00 C ATOM 384 C LYS A 23 12.008 7.233 -11.435 1.00 0.00 C ATOM 385 O LYS A 23 13.061 7.804 -11.732 1.00 0.00 O ATOM 386 CB LYS A 23 11.013 5.335 -12.715 1.00 0.00 C ATOM 387 CG LYS A 23 10.713 3.850 -12.801 1.00 0.00 C ATOM 388 CD LYS A 23 9.661 3.556 -13.857 1.00 0.00 C ATOM 389 CE LYS A 23 9.279 2.086 -13.862 1.00 0.00 C ATOM 390 NZ LYS A 23 8.185 1.793 -14.824 1.00 0.00 N ATOM 0 H LYS A 23 10.353 4.832 -10.394 1.00 0.00 H new ATOM 0 HA LYS A 23 12.881 5.287 -11.645 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.073 5.884 -12.657 1.00 0.00 H new ATOM 0 HB3 LYS A 23 11.511 5.650 -13.632 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.628 3.306 -13.035 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.368 3.490 -11.832 1.00 0.00 H new ATOM 0 HD2 LYS A 23 8.775 4.163 -13.670 1.00 0.00 H new ATOM 0 HD3 LYS A 23 10.040 3.839 -14.839 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.153 1.486 -14.115 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.968 1.790 -12.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.865 0.811 -14.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.390 2.441 -14.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.533 1.921 -15.795 1.00 0.00 H new ATOM 404 N LYS A 24 10.927 7.871 -11.006 1.00 0.00 N ATOM 405 CA LYS A 24 10.861 9.325 -10.926 1.00 0.00 C ATOM 406 C LYS A 24 11.773 9.875 -9.833 1.00 0.00 C ATOM 407 O LYS A 24 12.261 11.001 -9.933 1.00 0.00 O ATOM 408 CB LYS A 24 9.417 9.772 -10.689 1.00 0.00 C ATOM 409 CG LYS A 24 8.570 9.757 -11.950 1.00 0.00 C ATOM 410 CD LYS A 24 9.108 10.749 -12.964 1.00 0.00 C ATOM 411 CE LYS A 24 8.371 10.661 -14.288 1.00 0.00 C ATOM 412 NZ LYS A 24 8.906 11.636 -15.270 1.00 0.00 N ATOM 0 H LYS A 24 10.075 7.398 -10.705 1.00 0.00 H new ATOM 0 HA LYS A 24 11.211 9.727 -11.877 1.00 0.00 H new ATOM 0 HB2 LYS A 24 8.960 9.120 -9.944 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.419 10.779 -10.273 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.565 8.755 -12.380 1.00 0.00 H new ATOM 0 HG3 LYS A 24 7.537 10.003 -11.704 1.00 0.00 H new ATOM 0 HD2 LYS A 24 9.019 11.760 -12.566 1.00 0.00 H new ATOM 0 HD3 LYS A 24 10.170 10.563 -13.126 1.00 0.00 H new ATOM 0 HE2 LYS A 24 8.460 9.652 -14.690 1.00 0.00 H new ATOM 0 HE3 LYS A 24 7.309 10.848 -14.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 8.382 11.551 -16.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 8.798 12.600 -14.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 9.913 11.441 -15.439 1.00 0.00 H new ATOM 426 N ALA A 25 12.002 9.081 -8.797 1.00 0.00 N ATOM 427 CA ALA A 25 12.896 9.479 -7.719 1.00 0.00 C ATOM 428 C ALA A 25 14.325 9.619 -8.231 1.00 0.00 C ATOM 429 O ALA A 25 15.043 10.548 -7.861 1.00 0.00 O ATOM 430 CB ALA A 25 12.830 8.476 -6.579 1.00 0.00 C ATOM 0 H ALA A 25 11.582 8.159 -8.680 1.00 0.00 H new ATOM 0 HA ALA A 25 12.573 10.450 -7.343 1.00 0.00 H new ATOM 0 HB1 ALA A 25 13.504 8.787 -5.781 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.811 8.428 -6.195 1.00 0.00 H new ATOM 0 HB3 ALA A 25 13.128 7.492 -6.942 1.00 0.00 H new ATOM 436 N LYS A 26 14.735 8.692 -9.089 1.00 0.00 N ATOM 437 CA LYS A 26 16.059 8.753 -9.692 1.00 0.00 C ATOM 438 C LYS A 26 16.125 9.867 -10.737 1.00 0.00 C ATOM 439 O LYS A 26 17.197 10.407 -11.014 1.00 0.00 O ATOM 440 CB LYS A 26 16.448 7.402 -10.301 1.00 0.00 C ATOM 441 CG LYS A 26 16.487 6.276 -9.280 1.00 0.00 C ATOM 442 CD LYS A 26 17.214 5.052 -9.811 1.00 0.00 C ATOM 443 CE LYS A 26 17.119 3.890 -8.835 1.00 0.00 C ATOM 444 NZ LYS A 26 17.930 2.726 -9.273 1.00 0.00 N ATOM 0 H LYS A 26 14.172 7.893 -9.381 1.00 0.00 H new ATOM 0 HA LYS A 26 16.780 8.983 -8.907 1.00 0.00 H new ATOM 0 HB2 LYS A 26 15.738 7.147 -11.087 1.00 0.00 H new ATOM 0 HB3 LYS A 26 17.427 7.491 -10.772 1.00 0.00 H new ATOM 0 HG2 LYS A 26 16.980 6.626 -8.373 1.00 0.00 H new ATOM 0 HG3 LYS A 26 15.469 6.002 -9.004 1.00 0.00 H new ATOM 0 HD2 LYS A 26 16.787 4.760 -10.771 1.00 0.00 H new ATOM 0 HD3 LYS A 26 18.261 5.296 -9.989 1.00 0.00 H new ATOM 0 HE2 LYS A 26 17.455 4.216 -7.850 1.00 0.00 H new ATOM 0 HE3 LYS A 26 16.077 3.587 -8.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 17.836 1.957 -8.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 17.594 2.398 -10.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 18.929 3.007 -9.346 1.00 0.00 H new ATOM 458 N GLU A 27 14.975 10.210 -11.309 1.00 0.00 N ATOM 459 CA GLU A 27 14.881 11.349 -12.216 1.00 0.00 C ATOM 460 C GLU A 27 15.040 12.650 -11.438 1.00 0.00 C ATOM 461 O GLU A 27 15.738 13.566 -11.872 1.00 0.00 O ATOM 462 CB GLU A 27 13.549 11.328 -12.970 1.00 0.00 C ATOM 463 CG GLU A 27 13.459 10.211 -13.996 1.00 0.00 C ATOM 464 CD GLU A 27 12.107 10.134 -14.672 1.00 0.00 C ATOM 465 OE1 GLU A 27 11.654 11.152 -15.238 1.00 0.00 O ATOM 466 OE2 GLU A 27 11.489 9.052 -14.636 1.00 0.00 O ATOM 0 H GLU A 27 14.095 9.716 -11.161 1.00 0.00 H new ATOM 0 HA GLU A 27 15.685 11.281 -12.949 1.00 0.00 H new ATOM 0 HB2 GLU A 27 12.735 11.220 -12.253 1.00 0.00 H new ATOM 0 HB3 GLU A 27 13.408 12.285 -13.472 1.00 0.00 H new ATOM 0 HG2 GLU A 27 14.229 10.358 -14.753 1.00 0.00 H new ATOM 0 HG3 GLU A 27 13.669 9.259 -13.508 1.00 0.00 H new ATOM 473 N GLY A 28 14.397 12.718 -10.282 1.00 0.00 N ATOM 474 CA GLY A 28 14.571 13.851 -9.400 1.00 0.00 C ATOM 475 C GLY A 28 13.592 14.970 -9.674 1.00 0.00 C ATOM 476 O GLY A 28 13.929 16.144 -9.518 1.00 0.00 O ATOM 0 H GLY A 28 13.755 12.004 -9.938 1.00 0.00 H new ATOM 0 HA2 GLY A 28 14.457 13.521 -8.367 1.00 0.00 H new ATOM 0 HA3 GLY A 28 15.587 14.232 -9.503 1.00 0.00 H new ATOM 480 N ASP A 29 12.384 14.621 -10.092 1.00 0.00 N ATOM 481 CA ASP A 29 11.340 15.618 -10.280 1.00 0.00 C ATOM 482 C ASP A 29 10.372 15.549 -9.112 1.00 0.00 C ATOM 483 O ASP A 29 9.511 14.671 -9.053 1.00 0.00 O ATOM 484 CB ASP A 29 10.592 15.411 -11.598 1.00 0.00 C ATOM 485 CG ASP A 29 9.627 16.549 -11.889 1.00 0.00 C ATOM 486 OD1 ASP A 29 8.592 16.646 -11.204 1.00 0.00 O ATOM 487 OD2 ASP A 29 9.910 17.359 -12.797 1.00 0.00 O ATOM 0 H ASP A 29 12.104 13.664 -10.306 1.00 0.00 H new ATOM 0 HA ASP A 29 11.806 16.603 -10.322 1.00 0.00 H new ATOM 0 HB2 ASP A 29 11.310 15.327 -12.413 1.00 0.00 H new ATOM 0 HB3 ASP A 29 10.043 14.470 -11.559 1.00 0.00 H new ATOM 492 N GLU A 30 10.534 16.470 -8.175 1.00 0.00 N ATOM 493 CA GLU A 30 9.764 16.462 -6.938 1.00 0.00 C ATOM 494 C GLU A 30 8.302 16.826 -7.188 1.00 0.00 C ATOM 495 O GLU A 30 7.429 16.500 -6.383 1.00 0.00 O ATOM 496 CB GLU A 30 10.397 17.430 -5.938 1.00 0.00 C ATOM 497 CG GLU A 30 11.851 17.103 -5.625 1.00 0.00 C ATOM 498 CD GLU A 30 12.567 18.226 -4.907 1.00 0.00 C ATOM 499 OE1 GLU A 30 12.726 19.307 -5.511 1.00 0.00 O ATOM 500 OE2 GLU A 30 12.970 18.045 -3.739 1.00 0.00 O ATOM 0 H GLU A 30 11.198 17.240 -8.248 1.00 0.00 H new ATOM 0 HA GLU A 30 9.781 15.453 -6.525 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.337 18.443 -6.335 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.821 17.415 -5.013 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.892 16.203 -5.012 1.00 0.00 H new ATOM 0 HG3 GLU A 30 12.376 16.880 -6.554 1.00 0.00 H new ATOM 507 N GLN A 31 8.036 17.484 -8.310 1.00 0.00 N ATOM 508 CA GLN A 31 6.680 17.888 -8.648 1.00 0.00 C ATOM 509 C GLN A 31 5.845 16.662 -9.002 1.00 0.00 C ATOM 510 O GLN A 31 4.737 16.476 -8.490 1.00 0.00 O ATOM 511 CB GLN A 31 6.693 18.877 -9.815 1.00 0.00 C ATOM 512 CG GLN A 31 5.333 19.486 -10.110 1.00 0.00 C ATOM 513 CD GLN A 31 4.889 19.273 -11.545 1.00 0.00 C ATOM 514 OE1 GLN A 31 5.231 18.271 -12.173 1.00 0.00 O ATOM 515 NE2 GLN A 31 4.120 20.215 -12.071 1.00 0.00 N ATOM 0 H GLN A 31 8.741 17.748 -8.999 1.00 0.00 H new ATOM 0 HA GLN A 31 6.235 18.381 -7.784 1.00 0.00 H new ATOM 0 HB2 GLN A 31 7.400 19.677 -9.595 1.00 0.00 H new ATOM 0 HB3 GLN A 31 7.055 18.368 -10.708 1.00 0.00 H new ATOM 0 HG2 GLN A 31 4.593 19.052 -9.438 1.00 0.00 H new ATOM 0 HG3 GLN A 31 5.366 20.555 -9.900 1.00 0.00 H new ATOM 0 HE21 GLN A 31 3.860 21.030 -11.516 1.00 0.00 H new ATOM 0 HE22 GLN A 31 3.788 20.125 -13.031 1.00 0.00 H new ATOM 524 N GLU A 32 6.392 15.816 -9.866 1.00 0.00 N ATOM 525 CA GLU A 32 5.731 14.575 -10.236 1.00 0.00 C ATOM 526 C GLU A 32 5.682 13.626 -9.048 1.00 0.00 C ATOM 527 O GLU A 32 4.690 12.931 -8.846 1.00 0.00 O ATOM 528 CB GLU A 32 6.439 13.901 -11.408 1.00 0.00 C ATOM 529 CG GLU A 32 6.425 14.726 -12.682 1.00 0.00 C ATOM 530 CD GLU A 32 7.026 13.992 -13.859 1.00 0.00 C ATOM 531 OE1 GLU A 32 8.267 13.873 -13.928 1.00 0.00 O ATOM 532 OE2 GLU A 32 6.261 13.519 -14.725 1.00 0.00 O ATOM 0 H GLU A 32 7.291 15.968 -10.322 1.00 0.00 H new ATOM 0 HA GLU A 32 4.714 14.818 -10.543 1.00 0.00 H new ATOM 0 HB2 GLU A 32 7.473 13.697 -11.129 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.966 12.939 -11.603 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.398 15.004 -12.919 1.00 0.00 H new ATOM 0 HG3 GLU A 32 6.976 15.652 -12.517 1.00 0.00 H new ATOM 539 N LEU A 33 6.758 13.606 -8.264 1.00 0.00 N ATOM 540 CA LEU A 33 6.829 12.766 -7.072 1.00 0.00 C ATOM 541 C LEU A 33 5.707 13.096 -6.096 1.00 0.00 C ATOM 542 O LEU A 33 5.066 12.197 -5.554 1.00 0.00 O ATOM 543 CB LEU A 33 8.185 12.930 -6.381 1.00 0.00 C ATOM 544 CG LEU A 33 9.373 12.319 -7.123 1.00 0.00 C ATOM 545 CD1 LEU A 33 10.667 12.606 -6.383 1.00 0.00 C ATOM 546 CD2 LEU A 33 9.179 10.820 -7.288 1.00 0.00 C ATOM 0 H LEU A 33 7.595 14.164 -8.434 1.00 0.00 H new ATOM 0 HA LEU A 33 6.713 11.730 -7.390 1.00 0.00 H new ATOM 0 HB2 LEU A 33 8.375 13.994 -6.238 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.126 12.480 -5.390 1.00 0.00 H new ATOM 0 HG LEU A 33 9.433 12.773 -8.112 1.00 0.00 H new ATOM 0 HD11 LEU A 33 11.502 12.163 -6.926 1.00 0.00 H new ATOM 0 HD12 LEU A 33 10.812 13.684 -6.309 1.00 0.00 H new ATOM 0 HD13 LEU A 33 10.617 12.177 -5.382 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.033 10.399 -7.818 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.095 10.354 -6.306 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.269 10.631 -7.858 1.00 0.00 H new ATOM 558 N ALA A 34 5.465 14.383 -5.884 1.00 0.00 N ATOM 559 CA ALA A 34 4.392 14.823 -4.999 1.00 0.00 C ATOM 560 C ALA A 34 3.037 14.361 -5.518 1.00 0.00 C ATOM 561 O ALA A 34 2.189 13.912 -4.745 1.00 0.00 O ATOM 562 CB ALA A 34 4.417 16.337 -4.845 1.00 0.00 C ATOM 0 H ALA A 34 5.996 15.141 -6.312 1.00 0.00 H new ATOM 0 HA ALA A 34 4.552 14.372 -4.020 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.610 16.649 -4.182 1.00 0.00 H new ATOM 0 HB2 ALA A 34 5.374 16.644 -4.422 1.00 0.00 H new ATOM 0 HB3 ALA A 34 4.285 16.804 -5.821 1.00 0.00 H new ATOM 568 N ARG A 35 2.832 14.459 -6.828 1.00 0.00 N ATOM 569 CA ARG A 35 1.601 13.991 -7.428 1.00 0.00 C ATOM 570 C ARG A 35 1.494 12.473 -7.322 1.00 0.00 C ATOM 571 O ARG A 35 0.414 11.935 -7.092 1.00 0.00 O ATOM 572 CB ARG A 35 1.504 14.408 -8.892 1.00 0.00 C ATOM 573 CG ARG A 35 0.089 14.292 -9.402 1.00 0.00 C ATOM 574 CD ARG A 35 -0.043 14.633 -10.873 1.00 0.00 C ATOM 575 NE ARG A 35 -1.426 14.467 -11.319 1.00 0.00 N ATOM 576 CZ ARG A 35 -1.879 14.818 -12.519 1.00 0.00 C ATOM 577 NH1 ARG A 35 -1.051 15.298 -13.441 1.00 0.00 N ATOM 578 NH2 ARG A 35 -3.170 14.669 -12.798 1.00 0.00 N ATOM 0 H ARG A 35 3.502 14.857 -7.486 1.00 0.00 H new ATOM 0 HA ARG A 35 0.777 14.449 -6.881 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.850 15.436 -9.003 1.00 0.00 H new ATOM 0 HB3 ARG A 35 2.163 13.783 -9.495 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.268 13.275 -9.237 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.555 14.954 -8.823 1.00 0.00 H new ATOM 0 HD2 ARG A 35 0.279 15.660 -11.044 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.614 13.991 -11.461 1.00 0.00 H new ATOM 0 HE ARG A 35 -2.089 14.053 -10.664 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.058 15.400 -13.231 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -1.408 15.564 -14.358 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.803 14.289 -12.095 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.528 14.935 -13.715 1.00 0.00 H new ATOM 592 N LEU A 36 2.619 11.787 -7.497 1.00 0.00 N ATOM 593 CA LEU A 36 2.655 10.338 -7.351 1.00 0.00 C ATOM 594 C LEU A 36 2.280 9.943 -5.933 1.00 0.00 C ATOM 595 O LEU A 36 1.549 8.981 -5.726 1.00 0.00 O ATOM 596 CB LEU A 36 4.036 9.787 -7.704 1.00 0.00 C ATOM 597 CG LEU A 36 4.415 9.884 -9.182 1.00 0.00 C ATOM 598 CD1 LEU A 36 5.838 9.403 -9.396 1.00 0.00 C ATOM 599 CD2 LEU A 36 3.448 9.079 -10.037 1.00 0.00 C ATOM 0 H LEU A 36 3.515 12.210 -7.739 1.00 0.00 H new ATOM 0 HA LEU A 36 1.930 9.909 -8.042 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.784 10.321 -7.117 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.081 8.741 -7.401 1.00 0.00 H new ATOM 0 HG LEU A 36 4.353 10.929 -9.485 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.092 9.478 -10.453 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.522 10.020 -8.813 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.923 8.365 -9.075 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.735 9.161 -11.085 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.478 8.033 -9.733 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.438 9.466 -9.906 1.00 0.00 H new ATOM 611 N ASN A 37 2.772 10.708 -4.966 1.00 0.00 N ATOM 612 CA ASN A 37 2.425 10.512 -3.575 1.00 0.00 C ATOM 613 C ASN A 37 0.912 10.565 -3.395 1.00 0.00 C ATOM 614 O ASN A 37 0.323 9.701 -2.752 1.00 0.00 O ATOM 615 CB ASN A 37 3.100 11.585 -2.722 1.00 0.00 C ATOM 616 CG ASN A 37 4.570 11.309 -2.475 1.00 0.00 C ATOM 617 OD1 ASN A 37 5.010 10.160 -2.470 1.00 0.00 O ATOM 618 ND2 ASN A 37 5.339 12.361 -2.240 1.00 0.00 N ATOM 0 H ASN A 37 3.421 11.478 -5.129 1.00 0.00 H new ATOM 0 HA ASN A 37 2.775 9.531 -3.254 1.00 0.00 H new ATOM 0 HB2 ASN A 37 2.996 12.552 -3.215 1.00 0.00 H new ATOM 0 HB3 ASN A 37 2.584 11.658 -1.765 1.00 0.00 H new ATOM 0 HD21 ASN A 37 6.332 12.234 -2.046 1.00 0.00 H new ATOM 0 HD22 ASN A 37 4.938 13.299 -2.253 1.00 0.00 H new ATOM 625 N GLN A 38 0.291 11.577 -3.994 1.00 0.00 N ATOM 626 CA GLN A 38 -1.144 11.732 -3.989 1.00 0.00 C ATOM 627 C GLN A 38 -1.832 10.517 -4.614 1.00 0.00 C ATOM 628 O GLN A 38 -2.822 10.008 -4.087 1.00 0.00 O ATOM 629 CB GLN A 38 -1.493 12.984 -4.785 1.00 0.00 C ATOM 630 CG GLN A 38 -2.963 13.290 -4.805 1.00 0.00 C ATOM 631 CD GLN A 38 -3.342 14.234 -5.927 1.00 0.00 C ATOM 632 OE1 GLN A 38 -2.721 14.229 -6.992 1.00 0.00 O ATOM 633 NE2 GLN A 38 -4.353 15.053 -5.702 1.00 0.00 N ATOM 0 H GLN A 38 0.782 12.315 -4.499 1.00 0.00 H new ATOM 0 HA GLN A 38 -1.492 11.820 -2.960 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.958 13.835 -4.362 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -1.141 12.864 -5.810 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -3.523 12.361 -4.911 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -3.253 13.730 -3.851 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.842 15.026 -4.807 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.645 15.712 -6.423 1.00 0.00 H new ATOM 642 N GLU A 39 -1.299 10.065 -5.744 1.00 0.00 N ATOM 643 CA GLU A 39 -1.860 8.931 -6.467 1.00 0.00 C ATOM 644 C GLU A 39 -1.767 7.661 -5.618 1.00 0.00 C ATOM 645 O GLU A 39 -2.691 6.845 -5.601 1.00 0.00 O ATOM 646 CB GLU A 39 -1.114 8.745 -7.794 1.00 0.00 C ATOM 647 CG GLU A 39 -1.882 7.951 -8.838 1.00 0.00 C ATOM 648 CD GLU A 39 -3.121 8.673 -9.342 1.00 0.00 C ATOM 649 OE1 GLU A 39 -3.157 9.923 -9.288 1.00 0.00 O ATOM 650 OE2 GLU A 39 -4.069 7.994 -9.792 1.00 0.00 O ATOM 0 H GLU A 39 -0.472 10.471 -6.181 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.912 9.126 -6.676 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -0.876 9.726 -8.204 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -0.167 8.243 -7.597 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.224 7.738 -9.681 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -2.176 6.991 -8.413 1.00 0.00 H new ATOM 657 N ILE A 40 -0.652 7.514 -4.904 1.00 0.00 N ATOM 658 CA ILE A 40 -0.455 6.387 -3.999 1.00 0.00 C ATOM 659 C ILE A 40 -1.504 6.405 -2.893 1.00 0.00 C ATOM 660 O ILE A 40 -2.161 5.398 -2.634 1.00 0.00 O ATOM 661 CB ILE A 40 0.952 6.411 -3.360 1.00 0.00 C ATOM 662 CG1 ILE A 40 2.030 6.297 -4.435 1.00 0.00 C ATOM 663 CG2 ILE A 40 1.105 5.289 -2.344 1.00 0.00 C ATOM 664 CD1 ILE A 40 3.436 6.431 -3.898 1.00 0.00 C ATOM 0 H ILE A 40 0.132 8.166 -4.937 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.554 5.476 -4.589 1.00 0.00 H new ATOM 0 HB ILE A 40 1.071 7.363 -2.843 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.932 5.334 -4.936 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.863 7.067 -5.188 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.103 5.327 -1.908 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.360 5.407 -1.557 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.961 4.328 -2.838 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.149 6.340 -4.718 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.553 7.405 -3.422 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.622 5.645 -3.166 1.00 0.00 H new ATOM 676 N VAL A 41 -1.670 7.567 -2.266 1.00 0.00 N ATOM 677 CA VAL A 41 -2.656 7.744 -1.203 1.00 0.00 C ATOM 678 C VAL A 41 -4.045 7.314 -1.669 1.00 0.00 C ATOM 679 O VAL A 41 -4.762 6.610 -0.959 1.00 0.00 O ATOM 680 CB VAL A 41 -2.714 9.215 -0.728 1.00 0.00 C ATOM 681 CG1 VAL A 41 -3.816 9.416 0.304 1.00 0.00 C ATOM 682 CG2 VAL A 41 -1.371 9.649 -0.164 1.00 0.00 C ATOM 0 H VAL A 41 -1.130 8.406 -2.478 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.344 7.115 -0.370 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.944 9.837 -1.593 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.833 10.459 0.620 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.778 9.154 -0.136 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.626 8.779 1.168 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.432 10.686 0.165 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.110 9.015 0.683 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.606 9.557 -0.935 1.00 0.00 H new ATOM 692 N LYS A 42 -4.410 7.733 -2.872 1.00 0.00 N ATOM 693 CA LYS A 42 -5.704 7.392 -3.446 1.00 0.00 C ATOM 694 C LYS A 42 -5.832 5.877 -3.615 1.00 0.00 C ATOM 695 O LYS A 42 -6.865 5.291 -3.288 1.00 0.00 O ATOM 696 CB LYS A 42 -5.864 8.096 -4.798 1.00 0.00 C ATOM 697 CG LYS A 42 -7.202 8.801 -5.008 1.00 0.00 C ATOM 698 CD LYS A 42 -8.328 7.836 -5.360 1.00 0.00 C ATOM 699 CE LYS A 42 -8.998 7.251 -4.126 1.00 0.00 C ATOM 700 NZ LYS A 42 -9.956 6.170 -4.478 1.00 0.00 N ATOM 0 H LYS A 42 -3.824 8.313 -3.473 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.493 7.726 -2.772 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.064 8.829 -4.905 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -5.730 7.360 -5.591 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -7.467 9.346 -4.102 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -7.098 9.538 -5.805 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -9.073 8.356 -5.963 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -7.931 7.027 -5.973 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.237 6.857 -3.452 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -9.523 8.041 -3.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -9.856 5.385 -3.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.927 6.540 -4.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.756 5.828 -5.439 1.00 0.00 H new ATOM 714 N ALA A 43 -4.768 5.250 -4.100 1.00 0.00 N ATOM 715 CA ALA A 43 -4.778 3.816 -4.353 1.00 0.00 C ATOM 716 C ALA A 43 -4.814 3.016 -3.056 1.00 0.00 C ATOM 717 O ALA A 43 -5.612 2.089 -2.912 1.00 0.00 O ATOM 718 CB ALA A 43 -3.571 3.419 -5.188 1.00 0.00 C ATOM 0 H ALA A 43 -3.887 5.712 -4.326 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.686 3.584 -4.909 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.592 2.344 -5.369 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.598 3.948 -6.141 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.657 3.679 -4.654 1.00 0.00 H new ATOM 724 N GLU A 44 -3.963 3.385 -2.106 1.00 0.00 N ATOM 725 CA GLU A 44 -3.870 2.655 -0.849 1.00 0.00 C ATOM 726 C GLU A 44 -5.137 2.828 -0.017 1.00 0.00 C ATOM 727 O GLU A 44 -5.627 1.867 0.578 1.00 0.00 O ATOM 728 CB GLU A 44 -2.638 3.089 -0.052 1.00 0.00 C ATOM 729 CG GLU A 44 -1.331 2.866 -0.799 1.00 0.00 C ATOM 730 CD GLU A 44 -0.105 3.031 0.078 1.00 0.00 C ATOM 731 OE1 GLU A 44 0.113 4.128 0.609 1.00 0.00 O ATOM 732 OE2 GLU A 44 0.650 2.041 0.243 1.00 0.00 O ATOM 0 H GLU A 44 -3.331 4.182 -2.182 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.765 1.597 -1.088 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.730 4.146 0.199 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.610 2.539 0.889 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.331 1.863 -1.227 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.271 3.568 -1.631 1.00 0.00 H new ATOM 739 N LYS A 45 -5.682 4.045 0.001 1.00 0.00 N ATOM 740 CA LYS A 45 -6.918 4.314 0.733 1.00 0.00 C ATOM 741 C LYS A 45 -8.079 3.511 0.177 1.00 0.00 C ATOM 742 O LYS A 45 -8.998 3.158 0.913 1.00 0.00 O ATOM 743 CB LYS A 45 -7.272 5.804 0.750 1.00 0.00 C ATOM 744 CG LYS A 45 -6.483 6.584 1.781 1.00 0.00 C ATOM 745 CD LYS A 45 -7.058 7.965 2.017 1.00 0.00 C ATOM 746 CE LYS A 45 -6.394 8.630 3.212 1.00 0.00 C ATOM 747 NZ LYS A 45 -6.552 7.826 4.459 1.00 0.00 N ATOM 0 H LYS A 45 -5.290 4.854 -0.480 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.737 4.002 1.762 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.089 6.227 -0.237 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.337 5.917 0.953 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -6.471 6.032 2.721 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.448 6.675 1.451 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.916 8.580 1.128 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.132 7.892 2.186 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.333 8.772 3.005 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.825 9.620 3.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.085 8.315 5.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.563 7.711 4.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.118 6.890 4.326 1.00 0.00 H new ATOM 761 N GLN A 46 -8.042 3.221 -1.118 1.00 0.00 N ATOM 762 CA GLN A 46 -9.072 2.394 -1.733 1.00 0.00 C ATOM 763 C GLN A 46 -9.098 1.031 -1.049 1.00 0.00 C ATOM 764 O GLN A 46 -10.164 0.492 -0.742 1.00 0.00 O ATOM 765 CB GLN A 46 -8.796 2.225 -3.228 1.00 0.00 C ATOM 766 CG GLN A 46 -9.899 1.496 -3.979 1.00 0.00 C ATOM 767 CD GLN A 46 -11.194 2.283 -4.022 1.00 0.00 C ATOM 768 OE1 GLN A 46 -11.189 3.513 -4.025 1.00 0.00 O ATOM 769 NE2 GLN A 46 -12.315 1.579 -4.052 1.00 0.00 N ATOM 0 H GLN A 46 -7.316 3.543 -1.758 1.00 0.00 H new ATOM 0 HA GLN A 46 -10.040 2.880 -1.614 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -8.654 3.209 -3.675 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -7.861 1.679 -3.356 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -9.567 1.293 -4.997 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -10.080 0.531 -3.505 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -12.277 0.560 -4.048 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -13.216 2.056 -4.079 1.00 0.00 H new ATOM 778 N GLY A 47 -7.911 0.491 -0.801 1.00 0.00 N ATOM 779 CA GLY A 47 -7.799 -0.753 -0.069 1.00 0.00 C ATOM 780 C GLY A 47 -8.172 -0.587 1.389 1.00 0.00 C ATOM 781 O GLY A 47 -8.949 -1.369 1.928 1.00 0.00 O ATOM 0 H GLY A 47 -7.022 0.895 -1.096 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -8.446 -1.502 -0.526 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.777 -1.126 -0.142 1.00 0.00 H new ATOM 785 N VAL A 48 -7.636 0.451 2.017 1.00 0.00 N ATOM 786 CA VAL A 48 -7.893 0.724 3.430 1.00 0.00 C ATOM 787 C VAL A 48 -9.390 0.858 3.710 1.00 0.00 C ATOM 788 O VAL A 48 -9.894 0.324 4.696 1.00 0.00 O ATOM 789 CB VAL A 48 -7.169 2.010 3.890 1.00 0.00 C ATOM 790 CG1 VAL A 48 -7.513 2.347 5.332 1.00 0.00 C ATOM 791 CG2 VAL A 48 -5.665 1.864 3.726 1.00 0.00 C ATOM 0 H VAL A 48 -7.015 1.124 1.568 1.00 0.00 H new ATOM 0 HA VAL A 48 -7.505 -0.125 3.993 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.511 2.830 3.259 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -6.989 3.256 5.628 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -8.588 2.501 5.423 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.208 1.525 5.980 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.173 2.779 4.055 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.313 1.026 4.328 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -5.429 1.682 2.677 1.00 0.00 H new ATOM 801 N LYS A 49 -10.094 1.553 2.828 1.00 0.00 N ATOM 802 CA LYS A 49 -11.520 1.808 2.999 1.00 0.00 C ATOM 803 C LYS A 49 -12.310 0.499 3.026 1.00 0.00 C ATOM 804 O LYS A 49 -13.099 0.263 3.944 1.00 0.00 O ATOM 805 CB LYS A 49 -12.017 2.705 1.855 1.00 0.00 C ATOM 806 CG LYS A 49 -13.221 3.578 2.195 1.00 0.00 C ATOM 807 CD LYS A 49 -14.457 2.761 2.531 1.00 0.00 C ATOM 808 CE LYS A 49 -15.686 3.643 2.646 1.00 0.00 C ATOM 809 NZ LYS A 49 -16.856 2.910 3.202 1.00 0.00 N ATOM 0 H LYS A 49 -9.697 1.954 1.978 1.00 0.00 H new ATOM 0 HA LYS A 49 -11.675 2.313 3.952 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -11.198 3.350 1.538 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -12.274 2.074 1.004 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -12.973 4.220 3.040 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -13.441 4.233 1.352 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -14.618 2.008 1.760 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -14.300 2.229 3.469 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -15.459 4.498 3.283 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -15.941 4.038 1.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -17.735 3.336 2.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -16.811 1.913 2.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -16.841 2.968 4.240 1.00 0.00 H new ATOM 823 N VAL A 50 -12.086 -0.360 2.041 1.00 0.00 N ATOM 824 CA VAL A 50 -12.818 -1.615 1.965 1.00 0.00 C ATOM 825 C VAL A 50 -12.395 -2.563 3.083 1.00 0.00 C ATOM 826 O VAL A 50 -13.198 -3.357 3.572 1.00 0.00 O ATOM 827 CB VAL A 50 -12.654 -2.310 0.597 1.00 0.00 C ATOM 828 CG1 VAL A 50 -13.334 -1.505 -0.497 1.00 0.00 C ATOM 829 CG2 VAL A 50 -11.190 -2.533 0.258 1.00 0.00 C ATOM 0 H VAL A 50 -11.410 -0.213 1.291 1.00 0.00 H new ATOM 0 HA VAL A 50 -13.872 -1.366 2.086 1.00 0.00 H new ATOM 0 HB VAL A 50 -13.134 -3.286 0.664 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -13.207 -2.012 -1.454 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -14.397 -1.413 -0.274 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -12.887 -0.512 -0.550 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.112 -3.024 -0.712 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -10.675 -1.573 0.221 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.731 -3.162 1.021 1.00 0.00 H new ATOM 839 N TYR A 51 -11.136 -2.461 3.495 1.00 0.00 N ATOM 840 CA TYR A 51 -10.628 -3.267 4.595 1.00 0.00 C ATOM 841 C TYR A 51 -11.241 -2.810 5.915 1.00 0.00 C ATOM 842 O TYR A 51 -11.666 -3.629 6.724 1.00 0.00 O ATOM 843 CB TYR A 51 -9.096 -3.192 4.665 1.00 0.00 C ATOM 844 CG TYR A 51 -8.384 -3.863 3.508 1.00 0.00 C ATOM 845 CD1 TYR A 51 -9.037 -4.786 2.699 1.00 0.00 C ATOM 846 CD2 TYR A 51 -7.054 -3.572 3.229 1.00 0.00 C ATOM 847 CE1 TYR A 51 -8.387 -5.395 1.644 1.00 0.00 C ATOM 848 CE2 TYR A 51 -6.398 -4.176 2.176 1.00 0.00 C ATOM 849 CZ TYR A 51 -7.068 -5.088 1.387 1.00 0.00 C ATOM 850 OH TYR A 51 -6.412 -5.693 0.338 1.00 0.00 O ATOM 0 H TYR A 51 -10.450 -1.828 3.083 1.00 0.00 H new ATOM 0 HA TYR A 51 -10.912 -4.304 4.417 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -8.797 -2.145 4.702 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -8.764 -3.651 5.596 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -10.070 -5.031 2.899 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -6.525 -2.861 3.847 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -8.909 -6.108 1.023 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -5.365 -3.936 1.971 1.00 0.00 H new ATOM 0 HH TYR A 51 -6.934 -5.580 -0.483 1.00 0.00 H new ATOM 860 N LYS A 52 -11.298 -1.496 6.116 1.00 0.00 N ATOM 861 CA LYS A 52 -11.868 -0.922 7.334 1.00 0.00 C ATOM 862 C LYS A 52 -13.335 -1.290 7.484 1.00 0.00 C ATOM 863 O LYS A 52 -13.798 -1.605 8.580 1.00 0.00 O ATOM 864 CB LYS A 52 -11.701 0.604 7.340 1.00 0.00 C ATOM 865 CG LYS A 52 -10.382 1.061 7.940 1.00 0.00 C ATOM 866 CD LYS A 52 -10.304 2.573 8.080 1.00 0.00 C ATOM 867 CE LYS A 52 -8.957 3.010 8.641 1.00 0.00 C ATOM 868 NZ LYS A 52 -8.718 2.491 10.017 1.00 0.00 N ATOM 0 H LYS A 52 -10.955 -0.805 5.448 1.00 0.00 H new ATOM 0 HA LYS A 52 -11.326 -1.339 8.183 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -11.775 0.975 6.318 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -12.522 1.050 7.901 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -10.252 0.601 8.919 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -9.561 0.714 7.313 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -10.463 3.039 7.107 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -11.103 2.921 8.735 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -8.162 2.662 7.981 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -8.908 4.099 8.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -8.454 3.278 10.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -9.585 2.041 10.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -7.948 1.792 9.996 1.00 0.00 H new ATOM 882 N GLU A 53 -14.054 -1.263 6.375 1.00 0.00 N ATOM 883 CA GLU A 53 -15.474 -1.567 6.378 1.00 0.00 C ATOM 884 C GLU A 53 -15.705 -3.039 6.723 1.00 0.00 C ATOM 885 O GLU A 53 -16.571 -3.371 7.535 1.00 0.00 O ATOM 886 CB GLU A 53 -16.069 -1.240 5.008 1.00 0.00 C ATOM 887 CG GLU A 53 -17.581 -1.120 5.005 1.00 0.00 C ATOM 888 CD GLU A 53 -18.132 -0.783 3.637 1.00 0.00 C ATOM 889 OE1 GLU A 53 -17.821 0.311 3.116 1.00 0.00 O ATOM 890 OE2 GLU A 53 -18.880 -1.611 3.072 1.00 0.00 O ATOM 0 H GLU A 53 -13.675 -1.032 5.457 1.00 0.00 H new ATOM 0 HA GLU A 53 -15.967 -0.959 7.136 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -15.640 -0.304 4.651 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -15.775 -2.016 4.301 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -18.017 -2.058 5.348 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -17.883 -0.350 5.715 1.00 0.00 H new ATOM 897 N ALA A 54 -14.917 -3.910 6.104 1.00 0.00 N ATOM 898 CA ALA A 54 -15.048 -5.352 6.304 1.00 0.00 C ATOM 899 C ALA A 54 -14.535 -5.798 7.672 1.00 0.00 C ATOM 900 O ALA A 54 -15.055 -6.752 8.245 1.00 0.00 O ATOM 901 CB ALA A 54 -14.321 -6.108 5.201 1.00 0.00 C ATOM 0 H ALA A 54 -14.176 -3.643 5.456 1.00 0.00 H new ATOM 0 HA ALA A 54 -16.112 -5.585 6.264 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -14.428 -7.180 5.364 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -14.750 -5.843 4.235 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -13.264 -5.842 5.214 1.00 0.00 H new ATOM 907 N ALA A 55 -13.516 -5.111 8.185 1.00 0.00 N ATOM 908 CA ALA A 55 -12.842 -5.515 9.424 1.00 0.00 C ATOM 909 C ALA A 55 -13.813 -5.660 10.597 1.00 0.00 C ATOM 910 O ALA A 55 -13.723 -6.616 11.370 1.00 0.00 O ATOM 911 CB ALA A 55 -11.742 -4.523 9.777 1.00 0.00 C ATOM 0 H ALA A 55 -13.135 -4.266 7.760 1.00 0.00 H new ATOM 0 HA ALA A 55 -12.404 -6.496 9.242 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -11.251 -4.836 10.698 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -11.010 -4.489 8.970 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -12.176 -3.533 9.916 1.00 0.00 H new ATOM 917 N GLU A 56 -14.744 -4.723 10.722 1.00 0.00 N ATOM 918 CA GLU A 56 -15.722 -4.760 11.806 1.00 0.00 C ATOM 919 C GLU A 56 -16.741 -5.879 11.598 1.00 0.00 C ATOM 920 O GLU A 56 -17.394 -6.317 12.544 1.00 0.00 O ATOM 921 CB GLU A 56 -16.443 -3.413 11.934 1.00 0.00 C ATOM 922 CG GLU A 56 -15.559 -2.294 12.464 1.00 0.00 C ATOM 923 CD GLU A 56 -15.045 -2.567 13.866 1.00 0.00 C ATOM 924 OE1 GLU A 56 -15.847 -2.495 14.824 1.00 0.00 O ATOM 925 OE2 GLU A 56 -13.839 -2.838 14.020 1.00 0.00 O ATOM 0 H GLU A 56 -14.844 -3.929 10.089 1.00 0.00 H new ATOM 0 HA GLU A 56 -15.179 -4.959 12.730 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -16.832 -3.125 10.957 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -17.300 -3.531 12.596 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -14.712 -2.156 11.792 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -16.122 -1.361 12.463 1.00 0.00 H new ATOM 932 N LYS A 57 -16.862 -6.350 10.365 1.00 0.00 N ATOM 933 CA LYS A 57 -17.836 -7.375 10.029 1.00 0.00 C ATOM 934 C LYS A 57 -17.169 -8.725 9.797 1.00 0.00 C ATOM 935 O LYS A 57 -17.767 -9.633 9.218 1.00 0.00 O ATOM 936 CB LYS A 57 -18.636 -6.956 8.797 1.00 0.00 C ATOM 937 CG LYS A 57 -19.792 -6.027 9.125 1.00 0.00 C ATOM 938 CD LYS A 57 -20.640 -5.723 7.902 1.00 0.00 C ATOM 939 CE LYS A 57 -21.813 -4.816 8.247 1.00 0.00 C ATOM 940 NZ LYS A 57 -21.364 -3.519 8.813 1.00 0.00 N ATOM 0 H LYS A 57 -16.294 -6.036 9.578 1.00 0.00 H new ATOM 0 HA LYS A 57 -18.515 -7.484 10.875 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -17.970 -6.462 8.090 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -19.023 -7.847 8.302 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -20.415 -6.481 9.895 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -19.403 -5.096 9.538 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -20.023 -5.247 7.139 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -21.012 -6.654 7.476 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -22.407 -4.635 7.351 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -22.462 -5.319 8.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -22.162 -2.852 8.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -21.015 -3.665 9.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -20.600 -3.130 8.225 1.00 0.00 H new ATOM 954 N ALA A 58 -15.937 -8.861 10.265 1.00 0.00 N ATOM 955 CA ALA A 58 -15.230 -10.127 10.169 1.00 0.00 C ATOM 956 C ALA A 58 -15.792 -11.122 11.178 1.00 0.00 C ATOM 957 O ALA A 58 -15.932 -10.806 12.361 1.00 0.00 O ATOM 958 CB ALA A 58 -13.737 -9.926 10.392 1.00 0.00 C ATOM 0 H ALA A 58 -15.409 -8.112 10.713 1.00 0.00 H new ATOM 0 HA ALA A 58 -15.374 -10.529 9.166 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -13.225 -10.885 10.316 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -13.345 -9.245 9.637 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -13.571 -9.504 11.383 1.00 0.00 H new ATOM 964 N ARG A 59 -16.112 -12.324 10.712 1.00 0.00 N ATOM 965 CA ARG A 59 -16.701 -13.354 11.570 1.00 0.00 C ATOM 966 C ARG A 59 -15.615 -14.192 12.241 1.00 0.00 C ATOM 967 O ARG A 59 -15.855 -15.325 12.650 1.00 0.00 O ATOM 968 CB ARG A 59 -17.630 -14.275 10.766 1.00 0.00 C ATOM 969 CG ARG A 59 -18.946 -13.637 10.345 1.00 0.00 C ATOM 970 CD ARG A 59 -18.775 -12.679 9.175 1.00 0.00 C ATOM 971 NE ARG A 59 -20.037 -12.041 8.804 1.00 0.00 N ATOM 972 CZ ARG A 59 -20.268 -11.454 7.630 1.00 0.00 C ATOM 973 NH1 ARG A 59 -19.332 -11.449 6.683 1.00 0.00 N ATOM 974 NH2 ARG A 59 -21.443 -10.881 7.397 1.00 0.00 N ATOM 0 H ARG A 59 -15.974 -12.613 9.743 1.00 0.00 H new ATOM 0 HA ARG A 59 -17.283 -12.844 12.338 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -17.103 -14.611 9.873 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -17.846 -15.162 11.362 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -19.655 -14.418 10.071 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -19.374 -13.100 11.192 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -18.044 -11.914 9.436 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -18.376 -13.221 8.317 1.00 0.00 H new ATOM 0 HE ARG A 59 -20.792 -12.045 9.490 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -18.431 -11.896 6.854 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -19.516 -10.998 5.787 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -22.167 -10.891 8.116 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -21.622 -10.431 6.499 1.00 0.00 H new ATOM 988 N ASN A 60 -14.430 -13.618 12.362 1.00 0.00 N ATOM 989 CA ASN A 60 -13.290 -14.312 12.943 1.00 0.00 C ATOM 990 C ASN A 60 -12.243 -13.286 13.355 1.00 0.00 C ATOM 991 O ASN A 60 -11.816 -12.473 12.535 1.00 0.00 O ATOM 992 CB ASN A 60 -12.724 -15.319 11.927 1.00 0.00 C ATOM 993 CG ASN A 60 -11.535 -16.129 12.430 1.00 0.00 C ATOM 994 OD1 ASN A 60 -10.673 -15.637 13.154 1.00 0.00 O ATOM 995 ND2 ASN A 60 -11.495 -17.393 12.042 1.00 0.00 N ATOM 0 H ASN A 60 -14.230 -12.664 12.063 1.00 0.00 H new ATOM 0 HA ASN A 60 -13.596 -14.869 13.829 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -13.518 -16.007 11.636 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -12.425 -14.779 11.029 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -10.729 -17.995 12.345 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -12.230 -17.765 11.440 1.00 0.00 H new ATOM 1002 N PRO A 61 -11.828 -13.306 14.631 1.00 0.00 N ATOM 1003 CA PRO A 61 -10.877 -12.330 15.175 1.00 0.00 C ATOM 1004 C PRO A 61 -9.554 -12.307 14.415 1.00 0.00 C ATOM 1005 O PRO A 61 -9.070 -11.238 14.042 1.00 0.00 O ATOM 1006 CB PRO A 61 -10.658 -12.789 16.623 1.00 0.00 C ATOM 1007 CG PRO A 61 -11.151 -14.196 16.671 1.00 0.00 C ATOM 1008 CD PRO A 61 -12.248 -14.282 15.652 1.00 0.00 C ATOM 0 HA PRO A 61 -11.264 -11.314 15.095 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -9.605 -12.732 16.898 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -11.205 -12.157 17.323 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -10.350 -14.899 16.443 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -11.521 -14.447 17.665 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -12.337 -15.286 15.238 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -13.217 -14.027 16.080 1.00 0.00 H new ATOM 1016 N GLU A 62 -8.978 -13.479 14.166 1.00 0.00 N ATOM 1017 CA GLU A 62 -7.710 -13.556 13.453 1.00 0.00 C ATOM 1018 C GLU A 62 -7.884 -13.116 12.009 1.00 0.00 C ATOM 1019 O GLU A 62 -6.990 -12.493 11.440 1.00 0.00 O ATOM 1020 CB GLU A 62 -7.116 -14.963 13.505 1.00 0.00 C ATOM 1021 CG GLU A 62 -6.648 -15.379 14.889 1.00 0.00 C ATOM 1022 CD GLU A 62 -5.699 -16.558 14.847 1.00 0.00 C ATOM 1023 OE1 GLU A 62 -6.175 -17.711 14.801 1.00 0.00 O ATOM 1024 OE2 GLU A 62 -4.469 -16.337 14.850 1.00 0.00 O ATOM 0 H GLU A 62 -9.366 -14.380 14.445 1.00 0.00 H new ATOM 0 HA GLU A 62 -7.014 -12.881 13.951 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.862 -15.676 13.154 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -6.274 -15.018 12.815 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.154 -14.535 15.371 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -7.513 -15.634 15.501 1.00 0.00 H new ATOM 1031 N LYS A 63 -9.042 -13.421 11.427 1.00 0.00 N ATOM 1032 CA LYS A 63 -9.356 -12.957 10.079 1.00 0.00 C ATOM 1033 C LYS A 63 -9.319 -11.440 10.031 1.00 0.00 C ATOM 1034 O LYS A 63 -8.829 -10.855 9.067 1.00 0.00 O ATOM 1035 CB LYS A 63 -10.728 -13.461 9.616 1.00 0.00 C ATOM 1036 CG LYS A 63 -10.726 -14.897 9.117 1.00 0.00 C ATOM 1037 CD LYS A 63 -9.885 -15.049 7.858 1.00 0.00 C ATOM 1038 CE LYS A 63 -9.985 -16.452 7.281 1.00 0.00 C ATOM 1039 NZ LYS A 63 -11.366 -16.775 6.831 1.00 0.00 N ATOM 0 H LYS A 63 -9.773 -13.983 11.864 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.604 -13.362 9.402 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -11.432 -13.376 10.444 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -11.092 -12.812 8.820 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -10.338 -15.553 9.896 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -11.749 -15.214 8.913 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -10.212 -14.325 7.112 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.843 -14.823 8.087 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.298 -16.547 6.440 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.670 -17.176 8.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -11.343 -17.609 6.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -11.963 -16.976 7.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -11.759 -15.966 6.309 1.00 0.00 H new ATOM 1053 N ARG A 64 -9.823 -10.801 11.081 1.00 0.00 N ATOM 1054 CA ARG A 64 -9.735 -9.357 11.174 1.00 0.00 C ATOM 1055 C ARG A 64 -8.291 -8.929 11.372 1.00 0.00 C ATOM 1056 O ARG A 64 -7.799 -8.068 10.663 1.00 0.00 O ATOM 1057 CB ARG A 64 -10.555 -8.796 12.334 1.00 0.00 C ATOM 1058 CG ARG A 64 -10.462 -7.280 12.399 1.00 0.00 C ATOM 1059 CD ARG A 64 -10.723 -6.737 13.791 1.00 0.00 C ATOM 1060 NE ARG A 64 -10.222 -5.369 13.926 1.00 0.00 N ATOM 1061 CZ ARG A 64 -10.582 -4.528 14.890 1.00 0.00 C ATOM 1062 NH1 ARG A 64 -11.445 -4.907 15.824 1.00 0.00 N ATOM 1063 NH2 ARG A 64 -10.051 -3.313 14.931 1.00 0.00 N ATOM 0 H ARG A 64 -10.289 -11.256 11.866 1.00 0.00 H new ATOM 0 HA ARG A 64 -10.135 -8.964 10.239 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -11.598 -9.093 12.221 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -10.201 -9.224 13.272 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -9.471 -6.966 12.071 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -11.180 -6.846 11.703 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -11.793 -6.758 13.998 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -10.243 -7.378 14.531 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.551 -5.038 13.233 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -11.836 -5.849 15.805 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -11.717 -4.257 16.561 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -9.371 -3.030 14.225 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -10.323 -2.662 15.668 1.00 0.00 H new ATOM 1077 N GLN A 65 -7.618 -9.556 12.334 1.00 0.00 N ATOM 1078 CA GLN A 65 -6.280 -9.152 12.741 1.00 0.00 C ATOM 1079 C GLN A 65 -5.276 -9.214 11.593 1.00 0.00 C ATOM 1080 O GLN A 65 -4.395 -8.359 11.499 1.00 0.00 O ATOM 1081 CB GLN A 65 -5.809 -10.012 13.913 1.00 0.00 C ATOM 1082 CG GLN A 65 -6.619 -9.820 15.190 1.00 0.00 C ATOM 1083 CD GLN A 65 -6.428 -8.460 15.861 1.00 0.00 C ATOM 1084 OE1 GLN A 65 -6.532 -8.352 17.080 1.00 0.00 O ATOM 1085 NE2 GLN A 65 -6.163 -7.415 15.087 1.00 0.00 N ATOM 0 H GLN A 65 -7.986 -10.355 12.850 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.335 -8.109 13.054 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.854 -11.061 13.621 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.764 -9.783 14.121 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -7.676 -9.952 14.959 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -6.348 -10.602 15.899 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -6.082 -7.536 14.077 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.040 -6.491 15.502 1.00 0.00 H new ATOM 1094 N VAL A 66 -5.412 -10.210 10.727 1.00 0.00 N ATOM 1095 CA VAL A 66 -4.554 -10.316 9.552 1.00 0.00 C ATOM 1096 C VAL A 66 -4.698 -9.072 8.680 1.00 0.00 C ATOM 1097 O VAL A 66 -3.709 -8.439 8.309 1.00 0.00 O ATOM 1098 CB VAL A 66 -4.886 -11.574 8.719 1.00 0.00 C ATOM 1099 CG1 VAL A 66 -4.139 -11.558 7.394 1.00 0.00 C ATOM 1100 CG2 VAL A 66 -4.550 -12.838 9.498 1.00 0.00 C ATOM 0 H VAL A 66 -6.105 -10.953 10.814 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.525 -10.400 9.902 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.956 -11.568 8.511 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.389 -12.453 6.825 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.427 -10.674 6.825 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.066 -11.535 7.582 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.791 -13.713 8.894 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.487 -12.845 9.739 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.131 -12.862 10.420 1.00 0.00 H new ATOM 1110 N ILE A 67 -5.941 -8.720 8.380 1.00 0.00 N ATOM 1111 CA ILE A 67 -6.229 -7.541 7.581 1.00 0.00 C ATOM 1112 C ILE A 67 -5.916 -6.267 8.363 1.00 0.00 C ATOM 1113 O ILE A 67 -5.314 -5.344 7.835 1.00 0.00 O ATOM 1114 CB ILE A 67 -7.709 -7.520 7.136 1.00 0.00 C ATOM 1115 CG1 ILE A 67 -8.045 -8.787 6.342 1.00 0.00 C ATOM 1116 CG2 ILE A 67 -8.003 -6.275 6.312 1.00 0.00 C ATOM 1117 CD1 ILE A 67 -9.497 -8.877 5.919 1.00 0.00 C ATOM 0 H ILE A 67 -6.767 -9.237 8.680 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.595 -7.583 6.696 1.00 0.00 H new ATOM 0 HB ILE A 67 -8.338 -7.494 8.026 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -7.415 -8.826 5.454 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -7.798 -9.660 6.947 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -9.050 -6.279 6.008 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -7.802 -5.387 6.911 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -7.368 -6.267 5.426 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -9.657 -9.800 5.362 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -10.135 -8.871 6.803 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -9.745 -8.024 5.287 1.00 0.00 H new ATOM 1129 N ASP A 68 -6.310 -6.255 9.632 1.00 0.00 N ATOM 1130 CA ASP A 68 -6.194 -5.081 10.500 1.00 0.00 C ATOM 1131 C ASP A 68 -4.755 -4.587 10.595 1.00 0.00 C ATOM 1132 O ASP A 68 -4.499 -3.393 10.471 1.00 0.00 O ATOM 1133 CB ASP A 68 -6.727 -5.413 11.901 1.00 0.00 C ATOM 1134 CG ASP A 68 -6.756 -4.215 12.834 1.00 0.00 C ATOM 1135 OD1 ASP A 68 -5.738 -3.953 13.508 1.00 0.00 O ATOM 1136 OD2 ASP A 68 -7.811 -3.549 12.922 1.00 0.00 O ATOM 0 H ASP A 68 -6.723 -7.065 10.094 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.790 -4.282 10.060 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -7.735 -5.819 11.812 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.107 -6.193 12.342 1.00 0.00 H new ATOM 1141 N LYS A 69 -3.815 -5.507 10.792 1.00 0.00 N ATOM 1142 CA LYS A 69 -2.406 -5.137 10.908 1.00 0.00 C ATOM 1143 C LYS A 69 -1.935 -4.424 9.645 1.00 0.00 C ATOM 1144 O LYS A 69 -1.288 -3.378 9.704 1.00 0.00 O ATOM 1145 CB LYS A 69 -1.550 -6.389 11.133 1.00 0.00 C ATOM 1146 CG LYS A 69 -0.054 -6.111 11.140 1.00 0.00 C ATOM 1147 CD LYS A 69 0.752 -7.386 10.970 1.00 0.00 C ATOM 1148 CE LYS A 69 2.241 -7.098 10.902 1.00 0.00 C ATOM 1149 NZ LYS A 69 3.022 -8.320 10.576 1.00 0.00 N ATOM 0 H LYS A 69 -4.000 -6.507 10.874 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.298 -4.464 11.758 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.831 -6.845 12.082 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -1.772 -7.116 10.352 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.191 -5.415 10.338 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.222 -5.627 12.077 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.548 -8.060 11.802 1.00 0.00 H new ATOM 0 HD3 LYS A 69 0.437 -7.898 10.061 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.430 -6.333 10.149 1.00 0.00 H new ATOM 0 HE3 LYS A 69 2.578 -6.695 11.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 4.016 -8.179 10.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 2.632 -9.131 11.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 2.965 -8.506 9.554 1.00 0.00 H new ATOM 1163 N ILE A 70 -2.289 -4.992 8.506 1.00 0.00 N ATOM 1164 CA ILE A 70 -1.921 -4.442 7.213 1.00 0.00 C ATOM 1165 C ILE A 70 -2.706 -3.170 6.920 1.00 0.00 C ATOM 1166 O ILE A 70 -2.178 -2.218 6.353 1.00 0.00 O ATOM 1167 CB ILE A 70 -2.127 -5.497 6.108 1.00 0.00 C ATOM 1168 CG1 ILE A 70 -1.117 -6.626 6.312 1.00 0.00 C ATOM 1169 CG2 ILE A 70 -1.995 -4.885 4.721 1.00 0.00 C ATOM 1170 CD1 ILE A 70 -1.222 -7.748 5.308 1.00 0.00 C ATOM 0 H ILE A 70 -2.840 -5.848 8.451 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.864 -4.175 7.235 1.00 0.00 H new ATOM 0 HB ILE A 70 -3.139 -5.896 6.178 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.111 -6.209 6.268 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -1.248 -7.037 7.313 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.146 -5.657 3.967 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.744 -4.103 4.595 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.000 -4.455 4.606 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -0.469 -8.505 5.528 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.214 -8.196 5.366 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.059 -7.355 4.305 1.00 0.00 H new ATOM 1182 N LEU A 71 -3.967 -3.172 7.321 1.00 0.00 N ATOM 1183 CA LEU A 71 -4.852 -2.025 7.159 1.00 0.00 C ATOM 1184 C LEU A 71 -4.254 -0.790 7.832 1.00 0.00 C ATOM 1185 O LEU A 71 -4.117 0.266 7.212 1.00 0.00 O ATOM 1186 CB LEU A 71 -6.206 -2.378 7.799 1.00 0.00 C ATOM 1187 CG LEU A 71 -7.397 -1.466 7.493 1.00 0.00 C ATOM 1188 CD1 LEU A 71 -8.659 -2.083 8.066 1.00 0.00 C ATOM 1189 CD2 LEU A 71 -7.203 -0.073 8.067 1.00 0.00 C ATOM 0 H LEU A 71 -4.410 -3.973 7.771 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.981 -1.797 6.101 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -6.470 -3.389 7.489 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -6.070 -2.401 8.880 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.481 -1.369 6.411 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -9.510 -1.437 7.851 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.823 -3.062 7.615 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.552 -2.194 9.145 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.070 0.543 7.828 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.091 -0.138 9.149 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -6.308 0.377 7.636 1.00 0.00 H new ATOM 1201 N GLU A 72 -3.879 -0.941 9.095 1.00 0.00 N ATOM 1202 CA GLU A 72 -3.315 0.157 9.866 1.00 0.00 C ATOM 1203 C GLU A 72 -1.935 0.508 9.334 1.00 0.00 C ATOM 1204 O GLU A 72 -1.532 1.672 9.324 1.00 0.00 O ATOM 1205 CB GLU A 72 -3.250 -0.208 11.348 1.00 0.00 C ATOM 1206 CG GLU A 72 -4.581 -0.693 11.910 1.00 0.00 C ATOM 1207 CD GLU A 72 -5.642 0.391 12.018 1.00 0.00 C ATOM 1208 OE1 GLU A 72 -5.950 1.057 11.007 1.00 0.00 O ATOM 1209 OE2 GLU A 72 -6.198 0.561 13.123 1.00 0.00 O ATOM 0 H GLU A 72 -3.956 -1.819 9.609 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.959 1.030 9.763 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -2.499 -0.985 11.491 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.920 0.662 11.915 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.960 -1.495 11.277 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.412 -1.120 12.898 1.00 0.00 H new ATOM 1216 N ASP A 73 -1.215 -0.515 8.893 1.00 0.00 N ATOM 1217 CA ASP A 73 0.093 -0.327 8.277 1.00 0.00 C ATOM 1218 C ASP A 73 -0.047 0.518 7.021 1.00 0.00 C ATOM 1219 O ASP A 73 0.773 1.386 6.743 1.00 0.00 O ATOM 1220 CB ASP A 73 0.699 -1.668 7.877 1.00 0.00 C ATOM 1221 CG ASP A 73 2.201 -1.730 8.051 1.00 0.00 C ATOM 1222 OD1 ASP A 73 2.670 -1.970 9.182 1.00 0.00 O ATOM 1223 OD2 ASP A 73 2.924 -1.576 7.039 1.00 0.00 O ATOM 0 H ASP A 73 -1.516 -1.488 8.951 1.00 0.00 H new ATOM 0 HA ASP A 73 0.739 0.167 9.003 1.00 0.00 H new ATOM 0 HB2 ASP A 73 0.240 -2.457 8.473 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.454 -1.872 6.835 1.00 0.00 H new ATOM 1228 N GLU A 74 -1.106 0.249 6.271 1.00 0.00 N ATOM 1229 CA GLU A 74 -1.345 0.901 4.995 1.00 0.00 C ATOM 1230 C GLU A 74 -1.654 2.387 5.200 1.00 0.00 C ATOM 1231 O GLU A 74 -1.152 3.233 4.460 1.00 0.00 O ATOM 1232 CB GLU A 74 -2.483 0.186 4.260 1.00 0.00 C ATOM 1233 CG GLU A 74 -2.299 0.102 2.750 1.00 0.00 C ATOM 1234 CD GLU A 74 -0.941 -0.446 2.344 1.00 0.00 C ATOM 1235 OE1 GLU A 74 -0.698 -1.676 2.453 1.00 0.00 O ATOM 1236 OE2 GLU A 74 -0.091 0.351 1.913 1.00 0.00 O ATOM 0 H GLU A 74 -1.823 -0.428 6.532 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.446 0.838 4.382 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -2.580 -0.824 4.659 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -3.419 0.704 4.472 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.080 -0.531 2.330 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -2.427 1.095 2.319 1.00 0.00 H new ATOM 1243 N GLU A 75 -2.456 2.710 6.223 1.00 0.00 N ATOM 1244 CA GLU A 75 -2.677 4.112 6.586 1.00 0.00 C ATOM 1245 C GLU A 75 -1.374 4.740 7.082 1.00 0.00 C ATOM 1246 O GLU A 75 -1.108 5.925 6.854 1.00 0.00 O ATOM 1247 CB GLU A 75 -3.780 4.281 7.657 1.00 0.00 C ATOM 1248 CG GLU A 75 -5.169 4.653 7.105 1.00 0.00 C ATOM 1249 CD GLU A 75 -5.097 5.479 5.829 1.00 0.00 C ATOM 1250 OE1 GLU A 75 -4.119 6.211 5.647 1.00 0.00 O ATOM 1251 OE2 GLU A 75 -5.894 5.229 4.909 1.00 0.00 O ATOM 0 H GLU A 75 -2.953 2.033 6.803 1.00 0.00 H new ATOM 0 HA GLU A 75 -3.016 4.624 5.685 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.866 3.351 8.219 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -3.467 5.052 8.362 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -5.733 3.741 6.910 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.718 5.212 7.863 1.00 0.00 H new ATOM 1258 N LYS A 76 -0.564 3.940 7.763 1.00 0.00 N ATOM 1259 CA LYS A 76 0.741 4.388 8.239 1.00 0.00 C ATOM 1260 C LYS A 76 1.640 4.775 7.063 1.00 0.00 C ATOM 1261 O LYS A 76 2.405 5.737 7.147 1.00 0.00 O ATOM 1262 CB LYS A 76 1.405 3.292 9.077 1.00 0.00 C ATOM 1263 CG LYS A 76 2.763 3.680 9.637 1.00 0.00 C ATOM 1264 CD LYS A 76 3.403 2.525 10.387 1.00 0.00 C ATOM 1265 CE LYS A 76 4.759 2.912 10.954 1.00 0.00 C ATOM 1266 NZ LYS A 76 5.703 3.358 9.895 1.00 0.00 N ATOM 0 H LYS A 76 -0.788 2.973 8.000 1.00 0.00 H new ATOM 0 HA LYS A 76 0.596 5.268 8.865 1.00 0.00 H new ATOM 0 HB2 LYS A 76 0.744 3.030 9.903 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.518 2.398 8.464 1.00 0.00 H new ATOM 0 HG2 LYS A 76 3.417 3.995 8.824 1.00 0.00 H new ATOM 0 HG3 LYS A 76 2.652 4.533 10.306 1.00 0.00 H new ATOM 0 HD2 LYS A 76 2.746 2.207 11.197 1.00 0.00 H new ATOM 0 HD3 LYS A 76 3.517 1.673 9.716 1.00 0.00 H new ATOM 0 HE2 LYS A 76 4.631 3.711 11.685 1.00 0.00 H new ATOM 0 HE3 LYS A 76 5.186 2.061 11.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 6.664 3.417 10.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 5.692 2.676 9.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 5.415 4.294 9.545 1.00 0.00 H new ATOM 1280 N HIS A 77 1.533 4.026 5.966 1.00 0.00 N ATOM 1281 CA HIS A 77 2.289 4.313 4.748 1.00 0.00 C ATOM 1282 C HIS A 77 1.908 5.680 4.199 1.00 0.00 C ATOM 1283 O HIS A 77 2.762 6.473 3.800 1.00 0.00 O ATOM 1284 CB HIS A 77 2.006 3.276 3.661 1.00 0.00 C ATOM 1285 CG HIS A 77 2.442 1.882 3.980 1.00 0.00 C ATOM 1286 ND1 HIS A 77 2.098 0.796 3.210 1.00 0.00 N ATOM 1287 CD2 HIS A 77 3.202 1.399 4.997 1.00 0.00 C ATOM 1288 CE1 HIS A 77 2.639 -0.290 3.769 1.00 0.00 C ATOM 1289 NE2 HIS A 77 3.322 0.012 4.859 1.00 0.00 N ATOM 0 H HIS A 77 0.925 3.210 5.896 1.00 0.00 H new ATOM 0 HA HIS A 77 3.346 4.287 5.013 1.00 0.00 H new ATOM 0 HB2 HIS A 77 0.935 3.267 3.460 1.00 0.00 H new ATOM 0 HB3 HIS A 77 2.500 3.593 2.742 1.00 0.00 H new ATOM 0 HD1 HIS A 77 1.531 0.816 2.363 1.00 0.00 H new ATOM 0 HD2 HIS A 77 3.643 1.991 5.786 1.00 0.00 H new ATOM 0 HE1 HIS A 77 2.531 -1.291 3.378 1.00 0.00 H new ATOM 1296 N ILE A 78 0.612 5.933 4.179 1.00 0.00 N ATOM 1297 CA ILE A 78 0.076 7.189 3.685 1.00 0.00 C ATOM 1298 C ILE A 78 0.534 8.357 4.552 1.00 0.00 C ATOM 1299 O ILE A 78 0.908 9.413 4.037 1.00 0.00 O ATOM 1300 CB ILE A 78 -1.462 7.127 3.626 1.00 0.00 C ATOM 1301 CG1 ILE A 78 -1.876 6.060 2.612 1.00 0.00 C ATOM 1302 CG2 ILE A 78 -2.058 8.482 3.266 1.00 0.00 C ATOM 1303 CD1 ILE A 78 -3.356 5.791 2.573 1.00 0.00 C ATOM 0 H ILE A 78 -0.097 5.276 4.504 1.00 0.00 H new ATOM 0 HA ILE A 78 0.457 7.350 2.677 1.00 0.00 H new ATOM 0 HB ILE A 78 -1.847 6.862 4.611 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -1.548 6.370 1.620 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -1.355 5.131 2.845 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -3.145 8.404 3.233 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.770 9.217 4.017 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -1.687 8.795 2.290 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -3.567 5.023 1.829 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -3.690 5.449 3.553 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -3.885 6.707 2.309 1.00 0.00 H new ATOM 1315 N GLU A 79 0.523 8.162 5.866 1.00 0.00 N ATOM 1316 CA GLU A 79 1.066 9.160 6.780 1.00 0.00 C ATOM 1317 C GLU A 79 2.549 9.387 6.496 1.00 0.00 C ATOM 1318 O GLU A 79 3.040 10.515 6.563 1.00 0.00 O ATOM 1319 CB GLU A 79 0.873 8.730 8.238 1.00 0.00 C ATOM 1320 CG GLU A 79 -0.448 9.177 8.843 1.00 0.00 C ATOM 1321 CD GLU A 79 -0.574 10.686 8.896 1.00 0.00 C ATOM 1322 OE1 GLU A 79 0.362 11.348 9.393 1.00 0.00 O ATOM 1323 OE2 GLU A 79 -1.598 11.226 8.425 1.00 0.00 O ATOM 0 H GLU A 79 0.147 7.329 6.319 1.00 0.00 H new ATOM 0 HA GLU A 79 0.525 10.093 6.621 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.940 7.644 8.298 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.690 9.133 8.836 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.271 8.766 8.258 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -0.540 8.771 9.850 1.00 0.00 H new ATOM 1330 N TRP A 80 3.244 8.306 6.164 1.00 0.00 N ATOM 1331 CA TRP A 80 4.660 8.361 5.826 1.00 0.00 C ATOM 1332 C TRP A 80 4.893 9.234 4.594 1.00 0.00 C ATOM 1333 O TRP A 80 5.639 10.211 4.655 1.00 0.00 O ATOM 1334 CB TRP A 80 5.185 6.939 5.586 1.00 0.00 C ATOM 1335 CG TRP A 80 6.605 6.876 5.120 1.00 0.00 C ATOM 1336 CD1 TRP A 80 7.068 6.204 4.031 1.00 0.00 C ATOM 1337 CD2 TRP A 80 7.743 7.503 5.723 1.00 0.00 C ATOM 1338 NE1 TRP A 80 8.426 6.371 3.915 1.00 0.00 N ATOM 1339 CE2 TRP A 80 8.864 7.163 4.945 1.00 0.00 C ATOM 1340 CE3 TRP A 80 7.925 8.316 6.850 1.00 0.00 C ATOM 1341 CZ2 TRP A 80 10.144 7.613 5.252 1.00 0.00 C ATOM 1342 CZ3 TRP A 80 9.197 8.760 7.151 1.00 0.00 C ATOM 1343 CH2 TRP A 80 10.294 8.405 6.357 1.00 0.00 C ATOM 0 H TRP A 80 2.843 7.369 6.122 1.00 0.00 H new ATOM 0 HA TRP A 80 5.204 8.808 6.658 1.00 0.00 H new ATOM 0 HB2 TRP A 80 5.093 6.370 6.511 1.00 0.00 H new ATOM 0 HB3 TRP A 80 4.551 6.450 4.847 1.00 0.00 H new ATOM 0 HD1 TRP A 80 6.456 5.624 3.356 1.00 0.00 H new ATOM 0 HE1 TRP A 80 9.013 5.971 3.183 1.00 0.00 H new ATOM 0 HE3 TRP A 80 7.085 8.590 7.472 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 10.991 7.346 4.638 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 9.348 9.392 8.014 1.00 0.00 H new ATOM 0 HH2 TRP A 80 11.278 8.763 6.622 1.00 0.00 H new ATOM 1354 N HIS A 81 4.239 8.892 3.488 1.00 0.00 N ATOM 1355 CA HIS A 81 4.401 9.636 2.240 1.00 0.00 C ATOM 1356 C HIS A 81 3.969 11.090 2.386 1.00 0.00 C ATOM 1357 O HIS A 81 4.629 11.993 1.870 1.00 0.00 O ATOM 1358 CB HIS A 81 3.628 8.967 1.100 1.00 0.00 C ATOM 1359 CG HIS A 81 4.401 7.879 0.422 1.00 0.00 C ATOM 1360 ND1 HIS A 81 5.188 8.080 -0.691 1.00 0.00 N ATOM 1361 CD2 HIS A 81 4.518 6.562 0.728 1.00 0.00 C ATOM 1362 CE1 HIS A 81 5.752 6.913 -1.016 1.00 0.00 C ATOM 1363 NE2 HIS A 81 5.379 5.958 -0.186 1.00 0.00 N ATOM 0 H HIS A 81 3.592 8.106 3.429 1.00 0.00 H new ATOM 0 HA HIS A 81 5.464 9.626 1.998 1.00 0.00 H new ATOM 0 HB2 HIS A 81 2.699 8.553 1.493 1.00 0.00 H new ATOM 0 HB3 HIS A 81 3.354 9.722 0.363 1.00 0.00 H new ATOM 0 HD1 HIS A 81 5.317 8.965 -1.181 1.00 0.00 H new ATOM 0 HD2 HIS A 81 4.023 6.063 1.548 1.00 0.00 H new ATOM 0 HE1 HIS A 81 6.425 6.770 -1.849 1.00 0.00 H new ATOM 1371 N LYS A 82 2.878 11.320 3.103 1.00 0.00 N ATOM 1372 CA LYS A 82 2.379 12.674 3.310 1.00 0.00 C ATOM 1373 C LYS A 82 3.365 13.502 4.134 1.00 0.00 C ATOM 1374 O LYS A 82 3.602 14.671 3.841 1.00 0.00 O ATOM 1375 CB LYS A 82 1.000 12.639 3.976 1.00 0.00 C ATOM 1376 CG LYS A 82 0.431 14.014 4.299 1.00 0.00 C ATOM 1377 CD LYS A 82 -1.069 13.965 4.551 1.00 0.00 C ATOM 1378 CE LYS A 82 -1.440 12.983 5.653 1.00 0.00 C ATOM 1379 NZ LYS A 82 -0.878 13.371 6.972 1.00 0.00 N ATOM 0 H LYS A 82 2.323 10.590 3.550 1.00 0.00 H new ATOM 0 HA LYS A 82 2.277 13.154 2.337 1.00 0.00 H new ATOM 0 HB2 LYS A 82 0.305 12.115 3.320 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.068 12.060 4.897 1.00 0.00 H new ATOM 0 HG2 LYS A 82 0.933 14.417 5.178 1.00 0.00 H new ATOM 0 HG3 LYS A 82 0.638 14.695 3.474 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -1.422 14.960 4.821 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -1.580 13.684 3.630 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -2.526 12.919 5.728 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -1.080 11.989 5.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -1.280 12.762 7.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 0.156 13.259 6.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -1.116 14.363 7.172 1.00 0.00 H new ATOM 1393 N ALA A 83 3.956 12.885 5.149 1.00 0.00 N ATOM 1394 CA ALA A 83 4.935 13.568 5.986 1.00 0.00 C ATOM 1395 C ALA A 83 6.236 13.797 5.224 1.00 0.00 C ATOM 1396 O ALA A 83 6.937 14.782 5.453 1.00 0.00 O ATOM 1397 CB ALA A 83 5.199 12.773 7.256 1.00 0.00 C ATOM 0 H ALA A 83 3.776 11.916 5.412 1.00 0.00 H new ATOM 0 HA ALA A 83 4.525 14.539 6.262 1.00 0.00 H new ATOM 0 HB1 ALA A 83 5.932 13.298 7.868 1.00 0.00 H new ATOM 0 HB2 ALA A 83 4.270 12.663 7.816 1.00 0.00 H new ATOM 0 HB3 ALA A 83 5.584 11.787 6.995 1.00 0.00 H new ATOM 1403 N ALA A 84 6.553 12.878 4.320 1.00 0.00 N ATOM 1404 CA ALA A 84 7.779 12.960 3.531 1.00 0.00 C ATOM 1405 C ALA A 84 7.671 14.006 2.424 1.00 0.00 C ATOM 1406 O ALA A 84 8.677 14.392 1.826 1.00 0.00 O ATOM 1407 CB ALA A 84 8.117 11.599 2.939 1.00 0.00 C ATOM 0 H ALA A 84 5.976 12.063 4.113 1.00 0.00 H new ATOM 0 HA ALA A 84 8.582 13.269 4.200 1.00 0.00 H new ATOM 0 HB1 ALA A 84 9.033 11.674 2.353 1.00 0.00 H new ATOM 0 HB2 ALA A 84 8.259 10.877 3.744 1.00 0.00 H new ATOM 0 HB3 ALA A 84 7.301 11.269 2.296 1.00 0.00 H new ATOM 1484 N ALA A 90 15.103 13.210 -3.819 1.00 0.00 N ATOM 1485 CA ALA A 90 15.386 12.320 -4.933 1.00 0.00 C ATOM 1486 C ALA A 90 16.044 11.037 -4.432 1.00 0.00 C ATOM 1487 O ALA A 90 15.397 9.990 -4.353 1.00 0.00 O ATOM 1488 CB ALA A 90 16.265 13.014 -5.965 1.00 0.00 C ATOM 0 HA ALA A 90 14.445 12.057 -5.415 1.00 0.00 H new ATOM 0 HB1 ALA A 90 16.465 12.331 -6.791 1.00 0.00 H new ATOM 0 HB2 ALA A 90 15.753 13.899 -6.342 1.00 0.00 H new ATOM 0 HB3 ALA A 90 17.206 13.309 -5.502 1.00 0.00 H new ATOM 1494 N GLU A 91 17.316 11.124 -4.055 1.00 0.00 N ATOM 1495 CA GLU A 91 18.047 9.950 -3.588 1.00 0.00 C ATOM 1496 C GLU A 91 17.521 9.489 -2.235 1.00 0.00 C ATOM 1497 O GLU A 91 17.315 8.292 -2.014 1.00 0.00 O ATOM 1498 CB GLU A 91 19.549 10.234 -3.502 1.00 0.00 C ATOM 1499 CG GLU A 91 20.158 10.689 -4.817 1.00 0.00 C ATOM 1500 CD GLU A 91 21.669 10.749 -4.769 1.00 0.00 C ATOM 1501 OE1 GLU A 91 22.215 11.575 -4.002 1.00 0.00 O ATOM 1502 OE2 GLU A 91 22.323 9.960 -5.481 1.00 0.00 O ATOM 0 H GLU A 91 17.859 11.988 -4.063 1.00 0.00 H new ATOM 0 HA GLU A 91 17.890 9.152 -4.314 1.00 0.00 H new ATOM 0 HB2 GLU A 91 19.723 11.000 -2.746 1.00 0.00 H new ATOM 0 HB3 GLU A 91 20.062 9.333 -3.166 1.00 0.00 H new ATOM 0 HG2 GLU A 91 19.850 10.008 -5.610 1.00 0.00 H new ATOM 0 HG3 GLU A 91 19.767 11.674 -5.073 1.00 0.00 H new ATOM 1509 N GLN A 92 17.290 10.439 -1.332 1.00 0.00 N ATOM 1510 CA GLN A 92 16.732 10.119 -0.024 1.00 0.00 C ATOM 1511 C GLN A 92 15.335 9.539 -0.185 1.00 0.00 C ATOM 1512 O GLN A 92 14.993 8.533 0.433 1.00 0.00 O ATOM 1513 CB GLN A 92 16.663 11.358 0.874 1.00 0.00 C ATOM 1514 CG GLN A 92 18.009 11.985 1.196 1.00 0.00 C ATOM 1515 CD GLN A 92 19.003 11.001 1.782 1.00 0.00 C ATOM 1516 OE1 GLN A 92 19.043 10.783 2.993 1.00 0.00 O ATOM 1517 NE2 GLN A 92 19.824 10.420 0.924 1.00 0.00 N ATOM 0 H GLN A 92 17.480 11.430 -1.482 1.00 0.00 H new ATOM 0 HA GLN A 92 17.388 9.387 0.447 1.00 0.00 H new ATOM 0 HB2 GLN A 92 16.036 12.106 0.390 1.00 0.00 H new ATOM 0 HB3 GLN A 92 16.172 11.086 1.808 1.00 0.00 H new ATOM 0 HG2 GLN A 92 18.428 12.417 0.287 1.00 0.00 H new ATOM 0 HG3 GLN A 92 17.862 12.805 1.899 1.00 0.00 H new ATOM 0 HE21 GLN A 92 19.754 10.631 -0.071 1.00 0.00 H new ATOM 0 HE22 GLN A 92 20.527 9.761 1.258 1.00 0.00 H new ATOM 1526 N PHE A 93 14.546 10.169 -1.047 1.00 0.00 N ATOM 1527 CA PHE A 93 13.171 9.751 -1.282 1.00 0.00 C ATOM 1528 C PHE A 93 13.122 8.329 -1.837 1.00 0.00 C ATOM 1529 O PHE A 93 12.330 7.505 -1.380 1.00 0.00 O ATOM 1530 CB PHE A 93 12.486 10.727 -2.240 1.00 0.00 C ATOM 1531 CG PHE A 93 11.024 10.459 -2.446 1.00 0.00 C ATOM 1532 CD1 PHE A 93 10.113 10.689 -1.428 1.00 0.00 C ATOM 1533 CD2 PHE A 93 10.558 9.984 -3.659 1.00 0.00 C ATOM 1534 CE1 PHE A 93 8.764 10.451 -1.618 1.00 0.00 C ATOM 1535 CE2 PHE A 93 9.212 9.742 -3.854 1.00 0.00 C ATOM 1536 CZ PHE A 93 8.314 9.975 -2.834 1.00 0.00 C ATOM 0 H PHE A 93 14.838 10.976 -1.598 1.00 0.00 H new ATOM 0 HA PHE A 93 12.638 9.758 -0.331 1.00 0.00 H new ATOM 0 HB2 PHE A 93 12.608 11.740 -1.858 1.00 0.00 H new ATOM 0 HB3 PHE A 93 12.991 10.687 -3.205 1.00 0.00 H new ATOM 0 HD1 PHE A 93 10.460 11.059 -0.475 1.00 0.00 H new ATOM 0 HD2 PHE A 93 11.255 9.800 -4.463 1.00 0.00 H new ATOM 0 HE1 PHE A 93 8.064 10.637 -0.817 1.00 0.00 H new ATOM 0 HE2 PHE A 93 8.863 9.370 -4.806 1.00 0.00 H new ATOM 0 HZ PHE A 93 7.262 9.786 -2.985 1.00 0.00 H new ATOM 1546 N ALA A 94 13.990 8.044 -2.806 1.00 0.00 N ATOM 1547 CA ALA A 94 14.072 6.714 -3.408 1.00 0.00 C ATOM 1548 C ALA A 94 14.347 5.651 -2.353 1.00 0.00 C ATOM 1549 O ALA A 94 13.753 4.572 -2.372 1.00 0.00 O ATOM 1550 CB ALA A 94 15.156 6.681 -4.476 1.00 0.00 C ATOM 0 H ALA A 94 14.649 8.719 -3.193 1.00 0.00 H new ATOM 0 HA ALA A 94 13.110 6.496 -3.871 1.00 0.00 H new ATOM 0 HB1 ALA A 94 15.205 5.684 -4.915 1.00 0.00 H new ATOM 0 HB2 ALA A 94 14.923 7.409 -5.253 1.00 0.00 H new ATOM 0 HB3 ALA A 94 16.118 6.927 -4.026 1.00 0.00 H new ATOM 1556 N SER A 95 15.240 5.971 -1.425 1.00 0.00 N ATOM 1557 CA SER A 95 15.595 5.053 -0.354 1.00 0.00 C ATOM 1558 C SER A 95 14.387 4.777 0.543 1.00 0.00 C ATOM 1559 O SER A 95 14.163 3.646 0.976 1.00 0.00 O ATOM 1560 CB SER A 95 16.743 5.633 0.477 1.00 0.00 C ATOM 1561 OG SER A 95 17.843 6.005 -0.345 1.00 0.00 O ATOM 0 H SER A 95 15.733 6.864 -1.394 1.00 0.00 H new ATOM 0 HA SER A 95 15.917 4.112 -0.800 1.00 0.00 H new ATOM 0 HB2 SER A 95 16.390 6.503 1.031 1.00 0.00 H new ATOM 0 HB3 SER A 95 17.069 4.898 1.213 1.00 0.00 H new ATOM 0 HG SER A 95 17.609 6.804 -0.863 1.00 0.00 H new ATOM 1567 N LEU A 96 13.600 5.818 0.794 1.00 0.00 N ATOM 1568 CA LEU A 96 12.430 5.711 1.657 1.00 0.00 C ATOM 1569 C LEU A 96 11.314 4.926 0.972 1.00 0.00 C ATOM 1570 O LEU A 96 10.595 4.160 1.612 1.00 0.00 O ATOM 1571 CB LEU A 96 11.936 7.106 2.048 1.00 0.00 C ATOM 1572 CG LEU A 96 12.991 8.007 2.695 1.00 0.00 C ATOM 1573 CD1 LEU A 96 12.402 9.368 3.028 1.00 0.00 C ATOM 1574 CD2 LEU A 96 13.564 7.353 3.945 1.00 0.00 C ATOM 0 H LEU A 96 13.753 6.750 0.409 1.00 0.00 H new ATOM 0 HA LEU A 96 12.718 5.171 2.559 1.00 0.00 H new ATOM 0 HB2 LEU A 96 11.553 7.603 1.157 1.00 0.00 H new ATOM 0 HB3 LEU A 96 11.099 6.999 2.738 1.00 0.00 H new ATOM 0 HG LEU A 96 13.802 8.149 1.980 1.00 0.00 H new ATOM 0 HD11 LEU A 96 13.168 9.993 3.487 1.00 0.00 H new ATOM 0 HD12 LEU A 96 12.045 9.843 2.114 1.00 0.00 H new ATOM 0 HD13 LEU A 96 11.570 9.245 3.722 1.00 0.00 H new ATOM 0 HD21 LEU A 96 14.312 8.010 4.389 1.00 0.00 H new ATOM 0 HD22 LEU A 96 12.763 7.177 4.663 1.00 0.00 H new ATOM 0 HD23 LEU A 96 14.028 6.403 3.679 1.00 0.00 H new ATOM 1586 N VAL A 97 11.171 5.122 -0.333 1.00 0.00 N ATOM 1587 CA VAL A 97 10.170 4.397 -1.106 1.00 0.00 C ATOM 1588 C VAL A 97 10.524 2.913 -1.178 1.00 0.00 C ATOM 1589 O VAL A 97 9.645 2.055 -1.140 1.00 0.00 O ATOM 1590 CB VAL A 97 10.017 4.972 -2.536 1.00 0.00 C ATOM 1591 CG1 VAL A 97 8.968 4.204 -3.328 1.00 0.00 C ATOM 1592 CG2 VAL A 97 9.653 6.444 -2.480 1.00 0.00 C ATOM 0 H VAL A 97 11.734 5.775 -0.877 1.00 0.00 H new ATOM 0 HA VAL A 97 9.216 4.517 -0.593 1.00 0.00 H new ATOM 0 HB VAL A 97 10.975 4.863 -3.044 1.00 0.00 H new ATOM 0 HG11 VAL A 97 8.883 4.630 -4.328 1.00 0.00 H new ATOM 0 HG12 VAL A 97 9.263 3.158 -3.404 1.00 0.00 H new ATOM 0 HG13 VAL A 97 8.006 4.274 -2.821 1.00 0.00 H new ATOM 0 HG21 VAL A 97 9.549 6.832 -3.493 1.00 0.00 H new ATOM 0 HG22 VAL A 97 8.710 6.566 -1.947 1.00 0.00 H new ATOM 0 HG23 VAL A 97 10.438 6.993 -1.960 1.00 0.00 H new ATOM 1602 N GLN A 98 11.818 2.613 -1.260 1.00 0.00 N ATOM 1603 CA GLN A 98 12.279 1.230 -1.310 1.00 0.00 C ATOM 1604 C GLN A 98 11.832 0.467 -0.064 1.00 0.00 C ATOM 1605 O GLN A 98 11.502 -0.719 -0.137 1.00 0.00 O ATOM 1606 CB GLN A 98 13.804 1.175 -1.450 1.00 0.00 C ATOM 1607 CG GLN A 98 14.352 -0.241 -1.537 1.00 0.00 C ATOM 1608 CD GLN A 98 15.851 -0.282 -1.749 1.00 0.00 C ATOM 1609 OE1 GLN A 98 16.430 0.612 -2.366 1.00 0.00 O ATOM 1610 NE2 GLN A 98 16.491 -1.321 -1.238 1.00 0.00 N ATOM 0 H GLN A 98 12.564 3.308 -1.293 1.00 0.00 H new ATOM 0 HA GLN A 98 11.834 0.754 -2.184 1.00 0.00 H new ATOM 0 HB2 GLN A 98 14.100 1.726 -2.343 1.00 0.00 H new ATOM 0 HB3 GLN A 98 14.258 1.681 -0.598 1.00 0.00 H new ATOM 0 HG2 GLN A 98 14.105 -0.777 -0.621 1.00 0.00 H new ATOM 0 HG3 GLN A 98 13.860 -0.766 -2.356 1.00 0.00 H new ATOM 0 HE21 GLN A 98 15.974 -2.041 -0.733 1.00 0.00 H new ATOM 0 HE22 GLN A 98 17.502 -1.402 -1.349 1.00 0.00 H new ATOM 1619 N GLN A 99 11.795 1.161 1.069 1.00 0.00 N ATOM 1620 CA GLN A 99 11.324 0.565 2.315 1.00 0.00 C ATOM 1621 C GLN A 99 9.853 0.176 2.187 1.00 0.00 C ATOM 1622 O GLN A 99 9.436 -0.891 2.642 1.00 0.00 O ATOM 1623 CB GLN A 99 11.498 1.544 3.483 1.00 0.00 C ATOM 1624 CG GLN A 99 12.938 1.970 3.736 1.00 0.00 C ATOM 1625 CD GLN A 99 13.820 0.842 4.244 1.00 0.00 C ATOM 1626 OE1 GLN A 99 13.617 -0.326 3.913 1.00 0.00 O ATOM 1627 NE2 GLN A 99 14.796 1.185 5.067 1.00 0.00 N ATOM 0 H GLN A 99 12.085 2.135 1.150 1.00 0.00 H new ATOM 0 HA GLN A 99 11.918 -0.327 2.514 1.00 0.00 H new ATOM 0 HB2 GLN A 99 10.898 2.433 3.289 1.00 0.00 H new ATOM 0 HB3 GLN A 99 11.103 1.084 4.389 1.00 0.00 H new ATOM 0 HG2 GLN A 99 13.361 2.364 2.812 1.00 0.00 H new ATOM 0 HG3 GLN A 99 12.946 2.783 4.462 1.00 0.00 H new ATOM 0 HE21 GLN A 99 14.932 2.165 5.317 1.00 0.00 H new ATOM 0 HE22 GLN A 99 15.413 0.470 5.452 1.00 0.00 H new ATOM 1636 N HIS A 100 9.082 1.050 1.547 1.00 0.00 N ATOM 1637 CA HIS A 100 7.661 0.816 1.314 1.00 0.00 C ATOM 1638 C HIS A 100 7.477 -0.428 0.445 1.00 0.00 C ATOM 1639 O HIS A 100 6.608 -1.259 0.708 1.00 0.00 O ATOM 1640 CB HIS A 100 7.045 2.051 0.636 1.00 0.00 C ATOM 1641 CG HIS A 100 5.545 2.144 0.701 1.00 0.00 C ATOM 1642 ND1 HIS A 100 4.857 3.325 0.545 1.00 0.00 N ATOM 1643 CD2 HIS A 100 4.600 1.188 0.890 1.00 0.00 C ATOM 1644 CE1 HIS A 100 3.552 3.066 0.641 1.00 0.00 C ATOM 1645 NE2 HIS A 100 3.335 1.778 0.849 1.00 0.00 N ATOM 0 H HIS A 100 9.423 1.937 1.177 1.00 0.00 H new ATOM 0 HA HIS A 100 7.154 0.649 2.264 1.00 0.00 H new ATOM 0 HB2 HIS A 100 7.467 2.945 1.095 1.00 0.00 H new ATOM 0 HB3 HIS A 100 7.347 2.058 -0.411 1.00 0.00 H new ATOM 0 HD1 HIS A 100 5.274 4.242 0.384 1.00 0.00 H new ATOM 0 HD2 HIS A 100 4.796 0.138 1.047 1.00 0.00 H new ATOM 0 HE1 HIS A 100 2.774 3.811 0.560 1.00 0.00 H new ATOM 1653 N LEU A 101 8.325 -0.561 -0.576 1.00 0.00 N ATOM 1654 CA LEU A 101 8.284 -1.715 -1.470 1.00 0.00 C ATOM 1655 C LEU A 101 8.506 -3.015 -0.706 1.00 0.00 C ATOM 1656 O LEU A 101 7.755 -3.975 -0.877 1.00 0.00 O ATOM 1657 CB LEU A 101 9.339 -1.586 -2.574 1.00 0.00 C ATOM 1658 CG LEU A 101 8.872 -0.907 -3.868 1.00 0.00 C ATOM 1659 CD1 LEU A 101 7.670 -1.637 -4.455 1.00 0.00 C ATOM 1660 CD2 LEU A 101 8.539 0.556 -3.625 1.00 0.00 C ATOM 0 H LEU A 101 9.050 0.119 -0.803 1.00 0.00 H new ATOM 0 HA LEU A 101 7.292 -1.740 -1.922 1.00 0.00 H new ATOM 0 HB2 LEU A 101 10.186 -1.026 -2.177 1.00 0.00 H new ATOM 0 HB3 LEU A 101 9.704 -2.583 -2.820 1.00 0.00 H new ATOM 0 HG LEU A 101 9.690 -0.955 -4.587 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.354 -1.140 -5.372 1.00 0.00 H new ATOM 0 HD12 LEU A 101 7.944 -2.668 -4.677 1.00 0.00 H new ATOM 0 HD13 LEU A 101 6.851 -1.626 -3.736 1.00 0.00 H new ATOM 0 HD21 LEU A 101 8.211 1.014 -4.558 1.00 0.00 H new ATOM 0 HD22 LEU A 101 7.743 0.630 -2.884 1.00 0.00 H new ATOM 0 HD23 LEU A 101 9.425 1.075 -3.258 1.00 0.00 H new ATOM 1672 N GLN A 102 9.539 -3.038 0.136 1.00 0.00 N ATOM 1673 CA GLN A 102 9.859 -4.217 0.929 1.00 0.00 C ATOM 1674 C GLN A 102 8.710 -4.568 1.866 1.00 0.00 C ATOM 1675 O GLN A 102 8.372 -5.738 2.046 1.00 0.00 O ATOM 1676 CB GLN A 102 11.129 -3.969 1.739 1.00 0.00 C ATOM 1677 CG GLN A 102 12.386 -3.824 0.893 1.00 0.00 C ATOM 1678 CD GLN A 102 12.734 -5.086 0.132 1.00 0.00 C ATOM 1679 OE1 GLN A 102 12.320 -5.277 -1.011 1.00 0.00 O ATOM 1680 NE2 GLN A 102 13.502 -5.959 0.761 1.00 0.00 N ATOM 0 H GLN A 102 10.168 -2.249 0.284 1.00 0.00 H new ATOM 0 HA GLN A 102 10.019 -5.055 0.250 1.00 0.00 H new ATOM 0 HB2 GLN A 102 10.997 -3.065 2.333 1.00 0.00 H new ATOM 0 HB3 GLN A 102 11.268 -4.793 2.439 1.00 0.00 H new ATOM 0 HG2 GLN A 102 12.249 -3.006 0.186 1.00 0.00 H new ATOM 0 HG3 GLN A 102 13.222 -3.552 1.537 1.00 0.00 H new ATOM 0 HE21 GLN A 102 13.825 -5.764 1.709 1.00 0.00 H new ATOM 0 HE22 GLN A 102 13.771 -6.827 0.299 1.00 0.00 H new ATOM 1689 N ASP A 103 8.111 -3.535 2.441 1.00 0.00 N ATOM 1690 CA ASP A 103 7.001 -3.687 3.371 1.00 0.00 C ATOM 1691 C ASP A 103 5.791 -4.326 2.691 1.00 0.00 C ATOM 1692 O ASP A 103 5.223 -5.293 3.202 1.00 0.00 O ATOM 1693 CB ASP A 103 6.630 -2.312 3.941 1.00 0.00 C ATOM 1694 CG ASP A 103 5.374 -2.326 4.783 1.00 0.00 C ATOM 1695 OD1 ASP A 103 4.275 -2.506 4.263 1.00 0.00 O ATOM 1696 OD2 ASP A 103 5.419 -2.120 5.998 1.00 0.00 O ATOM 0 H ASP A 103 8.382 -2.566 2.275 1.00 0.00 H new ATOM 0 HA ASP A 103 7.309 -4.349 4.180 1.00 0.00 H new ATOM 0 HB2 ASP A 103 7.459 -1.943 4.545 1.00 0.00 H new ATOM 0 HB3 ASP A 103 6.498 -1.610 3.118 1.00 0.00 H new ATOM 1701 N GLU A 104 5.413 -3.799 1.529 1.00 0.00 N ATOM 1702 CA GLU A 104 4.220 -4.268 0.826 1.00 0.00 C ATOM 1703 C GLU A 104 4.395 -5.700 0.327 1.00 0.00 C ATOM 1704 O GLU A 104 3.415 -6.420 0.139 1.00 0.00 O ATOM 1705 CB GLU A 104 3.888 -3.348 -0.348 1.00 0.00 C ATOM 1706 CG GLU A 104 3.664 -1.897 0.048 1.00 0.00 C ATOM 1707 CD GLU A 104 2.322 -1.623 0.708 1.00 0.00 C ATOM 1708 OE1 GLU A 104 1.751 -2.516 1.384 1.00 0.00 O ATOM 1709 OE2 GLU A 104 1.830 -0.484 0.583 1.00 0.00 O ATOM 0 H GLU A 104 5.914 -3.048 1.054 1.00 0.00 H new ATOM 0 HA GLU A 104 3.394 -4.250 1.537 1.00 0.00 H new ATOM 0 HB2 GLU A 104 4.700 -3.395 -1.074 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.993 -3.720 -0.846 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.458 -1.593 0.729 1.00 0.00 H new ATOM 0 HG3 GLU A 104 3.751 -1.273 -0.842 1.00 0.00 H new ATOM 1716 N GLN A 105 5.642 -6.112 0.116 1.00 0.00 N ATOM 1717 CA GLN A 105 5.924 -7.482 -0.293 1.00 0.00 C ATOM 1718 C GLN A 105 5.448 -8.453 0.778 1.00 0.00 C ATOM 1719 O GLN A 105 4.786 -9.447 0.476 1.00 0.00 O ATOM 1720 CB GLN A 105 7.417 -7.679 -0.561 1.00 0.00 C ATOM 1721 CG GLN A 105 7.918 -6.937 -1.788 1.00 0.00 C ATOM 1722 CD GLN A 105 9.398 -7.144 -2.035 1.00 0.00 C ATOM 1723 OE1 GLN A 105 9.962 -8.187 -1.701 1.00 0.00 O ATOM 1724 NE2 GLN A 105 10.037 -6.147 -2.623 1.00 0.00 N ATOM 0 H GLN A 105 6.467 -5.521 0.221 1.00 0.00 H new ATOM 0 HA GLN A 105 5.386 -7.681 -1.220 1.00 0.00 H new ATOM 0 HB2 GLN A 105 7.981 -7.346 0.310 1.00 0.00 H new ATOM 0 HB3 GLN A 105 7.618 -8.743 -0.683 1.00 0.00 H new ATOM 0 HG2 GLN A 105 7.358 -7.270 -2.662 1.00 0.00 H new ATOM 0 HG3 GLN A 105 7.720 -5.872 -1.669 1.00 0.00 H new ATOM 0 HE21 GLN A 105 9.531 -5.300 -2.883 1.00 0.00 H new ATOM 0 HE22 GLN A 105 11.035 -6.225 -2.816 1.00 0.00 H new ATOM 1733 N ARG A 106 5.762 -8.144 2.034 1.00 0.00 N ATOM 1734 CA ARG A 106 5.298 -8.955 3.149 1.00 0.00 C ATOM 1735 C ARG A 106 3.789 -8.817 3.308 1.00 0.00 C ATOM 1736 O ARG A 106 3.111 -9.760 3.718 1.00 0.00 O ATOM 1737 CB ARG A 106 5.993 -8.573 4.459 1.00 0.00 C ATOM 1738 CG ARG A 106 5.454 -9.357 5.642 1.00 0.00 C ATOM 1739 CD ARG A 106 6.160 -9.035 6.944 1.00 0.00 C ATOM 1740 NE ARG A 106 5.518 -9.731 8.054 1.00 0.00 N ATOM 1741 CZ ARG A 106 6.121 -10.630 8.829 1.00 0.00 C ATOM 1742 NH1 ARG A 106 7.416 -10.891 8.675 1.00 0.00 N ATOM 1743 NH2 ARG A 106 5.422 -11.263 9.764 1.00 0.00 N ATOM 0 H ARG A 106 6.333 -7.342 2.301 1.00 0.00 H new ATOM 0 HA ARG A 106 5.549 -9.992 2.926 1.00 0.00 H new ATOM 0 HB2 ARG A 106 7.064 -8.750 4.365 1.00 0.00 H new ATOM 0 HB3 ARG A 106 5.861 -7.506 4.641 1.00 0.00 H new ATOM 0 HG2 ARG A 106 4.390 -9.149 5.752 1.00 0.00 H new ATOM 0 HG3 ARG A 106 5.551 -10.423 5.438 1.00 0.00 H new ATOM 0 HD2 ARG A 106 7.208 -9.328 6.879 1.00 0.00 H new ATOM 0 HD3 ARG A 106 6.140 -7.959 7.120 1.00 0.00 H new ATOM 0 HE ARG A 106 4.541 -9.514 8.250 1.00 0.00 H new ATOM 0 HH11 ARG A 106 7.953 -10.401 7.960 1.00 0.00 H new ATOM 0 HH12 ARG A 106 7.872 -11.581 9.272 1.00 0.00 H new ATOM 0 HH21 ARG A 106 4.430 -11.059 9.885 1.00 0.00 H new ATOM 0 HH22 ARG A 106 5.877 -11.953 10.361 1.00 0.00 H new ATOM 1757 N HIS A 107 3.265 -7.642 2.968 1.00 0.00 N ATOM 1758 CA HIS A 107 1.831 -7.396 3.060 1.00 0.00 C ATOM 1759 C HIS A 107 1.069 -8.411 2.221 1.00 0.00 C ATOM 1760 O HIS A 107 0.170 -9.081 2.718 1.00 0.00 O ATOM 1761 CB HIS A 107 1.484 -5.972 2.602 1.00 0.00 C ATOM 1762 CG HIS A 107 1.615 -4.932 3.675 1.00 0.00 C ATOM 1763 ND1 HIS A 107 0.831 -3.790 3.747 1.00 0.00 N ATOM 1764 CD2 HIS A 107 2.444 -4.887 4.748 1.00 0.00 C ATOM 1765 CE1 HIS A 107 1.205 -3.115 4.851 1.00 0.00 C ATOM 1766 NE2 HIS A 107 2.184 -3.732 5.484 1.00 0.00 N ATOM 0 H HIS A 107 3.810 -6.850 2.628 1.00 0.00 H new ATOM 0 HA HIS A 107 1.537 -7.501 4.104 1.00 0.00 H new ATOM 0 HB2 HIS A 107 2.133 -5.702 1.769 1.00 0.00 H new ATOM 0 HB3 HIS A 107 0.461 -5.963 2.225 1.00 0.00 H new ATOM 0 HD1 HIS A 107 0.105 -3.513 3.086 1.00 0.00 H new ATOM 0 HD2 HIS A 107 3.189 -5.630 4.994 1.00 0.00 H new ATOM 0 HE1 HIS A 107 0.760 -2.186 5.177 1.00 0.00 H new ATOM 1773 N VAL A 108 1.472 -8.560 0.964 1.00 0.00 N ATOM 1774 CA VAL A 108 0.827 -9.513 0.066 1.00 0.00 C ATOM 1775 C VAL A 108 0.914 -10.934 0.628 1.00 0.00 C ATOM 1776 O VAL A 108 -0.038 -11.712 0.531 1.00 0.00 O ATOM 1777 CB VAL A 108 1.459 -9.472 -1.342 1.00 0.00 C ATOM 1778 CG1 VAL A 108 0.794 -10.476 -2.270 1.00 0.00 C ATOM 1779 CG2 VAL A 108 1.373 -8.068 -1.922 1.00 0.00 C ATOM 0 H VAL A 108 2.239 -8.036 0.544 1.00 0.00 H new ATOM 0 HA VAL A 108 -0.221 -9.226 -0.015 1.00 0.00 H new ATOM 0 HB VAL A 108 2.510 -9.746 -1.249 1.00 0.00 H new ATOM 0 HG11 VAL A 108 1.259 -10.425 -3.254 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.913 -11.481 -1.864 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.267 -10.243 -2.358 1.00 0.00 H new ATOM 0 HG21 VAL A 108 1.823 -8.056 -2.915 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.328 -7.767 -1.994 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.907 -7.373 -1.274 1.00 0.00 H new ATOM 1789 N GLU A 109 2.050 -11.254 1.245 1.00 0.00 N ATOM 1790 CA GLU A 109 2.256 -12.574 1.824 1.00 0.00 C ATOM 1791 C GLU A 109 1.269 -12.833 2.953 1.00 0.00 C ATOM 1792 O GLU A 109 0.627 -13.881 3.000 1.00 0.00 O ATOM 1793 CB GLU A 109 3.676 -12.709 2.375 1.00 0.00 C ATOM 1794 CG GLU A 109 4.773 -12.556 1.337 1.00 0.00 C ATOM 1795 CD GLU A 109 6.147 -12.799 1.926 1.00 0.00 C ATOM 1796 OE1 GLU A 109 6.416 -13.944 2.351 1.00 0.00 O ATOM 1797 OE2 GLU A 109 6.967 -11.857 1.969 1.00 0.00 O ATOM 0 H GLU A 109 2.839 -10.617 1.355 1.00 0.00 H new ATOM 0 HA GLU A 109 2.100 -13.304 1.030 1.00 0.00 H new ATOM 0 HB2 GLU A 109 3.823 -11.960 3.153 1.00 0.00 H new ATOM 0 HB3 GLU A 109 3.776 -13.685 2.850 1.00 0.00 H new ATOM 0 HG2 GLU A 109 4.600 -13.256 0.520 1.00 0.00 H new ATOM 0 HG3 GLU A 109 4.733 -11.553 0.912 1.00 0.00 H new ATOM 1804 N GLU A 110 1.148 -11.871 3.858 1.00 0.00 N ATOM 1805 CA GLU A 110 0.301 -12.033 5.028 1.00 0.00 C ATOM 1806 C GLU A 110 -1.188 -11.996 4.664 1.00 0.00 C ATOM 1807 O GLU A 110 -1.998 -12.634 5.334 1.00 0.00 O ATOM 1808 CB GLU A 110 0.646 -10.988 6.102 1.00 0.00 C ATOM 1809 CG GLU A 110 2.105 -11.056 6.548 1.00 0.00 C ATOM 1810 CD GLU A 110 2.378 -10.382 7.885 1.00 0.00 C ATOM 1811 OE1 GLU A 110 2.574 -9.149 7.921 1.00 0.00 O ATOM 1812 OE2 GLU A 110 2.440 -11.095 8.911 1.00 0.00 O ATOM 0 H GLU A 110 1.626 -10.972 3.803 1.00 0.00 H new ATOM 0 HA GLU A 110 0.500 -13.020 5.445 1.00 0.00 H new ATOM 0 HB2 GLU A 110 0.436 -9.992 5.713 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -0.001 -11.136 6.967 1.00 0.00 H new ATOM 0 HG2 GLU A 110 2.406 -12.102 6.612 1.00 0.00 H new ATOM 0 HG3 GLU A 110 2.729 -10.591 5.785 1.00 0.00 H new ATOM 1819 N ILE A 111 -1.543 -11.266 3.601 1.00 0.00 N ATOM 1820 CA ILE A 111 -2.945 -11.161 3.174 1.00 0.00 C ATOM 1821 C ILE A 111 -3.496 -12.513 2.712 1.00 0.00 C ATOM 1822 O ILE A 111 -4.221 -13.183 3.451 1.00 0.00 O ATOM 1823 CB ILE A 111 -3.146 -10.136 2.028 1.00 0.00 C ATOM 1824 CG1 ILE A 111 -2.712 -8.739 2.458 1.00 0.00 C ATOM 1825 CG2 ILE A 111 -4.606 -10.109 1.589 1.00 0.00 C ATOM 1826 CD1 ILE A 111 -2.823 -7.700 1.361 1.00 0.00 C ATOM 0 H ILE A 111 -0.885 -10.742 3.023 1.00 0.00 H new ATOM 0 HA ILE A 111 -3.490 -10.817 4.053 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.524 -10.448 1.189 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -3.320 -8.425 3.306 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -1.679 -8.780 2.804 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -4.731 -9.385 0.784 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -4.898 -11.098 1.236 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -5.235 -9.825 2.433 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -2.497 -6.732 1.742 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -2.193 -7.990 0.520 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -3.859 -7.629 1.030 1.00 0.00 H new ATOM 1838 N GLU A 112 -3.136 -12.917 1.497 1.00 0.00 N ATOM 1839 CA GLU A 112 -3.738 -14.087 0.875 1.00 0.00 C ATOM 1840 C GLU A 112 -3.092 -15.382 1.353 1.00 0.00 C ATOM 1841 O GLU A 112 -3.701 -16.442 1.237 1.00 0.00 O ATOM 1842 CB GLU A 112 -3.672 -13.966 -0.650 1.00 0.00 C ATOM 1843 CG GLU A 112 -2.287 -13.655 -1.194 1.00 0.00 C ATOM 1844 CD GLU A 112 -2.305 -13.365 -2.682 1.00 0.00 C ATOM 1845 OE1 GLU A 112 -2.228 -14.324 -3.480 1.00 0.00 O ATOM 1846 OE2 GLU A 112 -2.399 -12.179 -3.056 1.00 0.00 O ATOM 0 H GLU A 112 -2.431 -12.451 0.926 1.00 0.00 H new ATOM 0 HA GLU A 112 -4.784 -14.126 1.178 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -4.022 -14.899 -1.092 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -4.360 -13.183 -0.971 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -1.875 -12.796 -0.664 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -1.624 -14.498 -0.998 1.00 0.00 H new