USER MOD reduce.3.24.130724 H: found=0, std=0, add=856, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 854 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= -0.884 K(o=-0.98,f=-0.35) USER MOD Set 1.2: A 105 GLN : amide:sc= -0.0921 X(o=-0.98,f=-0.7) USER MOD Set 2.1: A 77 HIS : no HE2:sc= 0.128 K(o=0.2,f=-6.1!) USER MOD Set 2.2: A 81 HIS : no HD1:sc= 0.926 K(o=0.2,f=-9.2!) USER MOD Set 2.3: A 100 HIS : no HD1:sc= -0.855 K(o=0.2,f=-17!) USER MOD Set 3.1: A 95 SER OG : rot 180:sc= 0.0751 USER MOD Set 3.2: A 99 GLN : amide:sc= 0.075 X(o=0.15,f=-0.27) USER MOD Set 4.1: A 9 LYS NZ :NH3+ 149:sc= 0.107 (180deg=-0.138) USER MOD Set 4.2: A 13 GLN : amide:sc= -0.0526 K(o=0.055,f=-1.7) USER MOD Single : A 12 GLN : amide:sc= -4.25! K(o=-4.2!,f=-1.4) USER MOD Single : A 16 LYS NZ :NH3+ 170:sc= -0.0222 (180deg=-0.141) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 148:sc= 1.08 (180deg=-0.923!) USER MOD Single : A 24 LYS NZ :NH3+ -154:sc= 1.22 (180deg=0.923) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -1.45! C(o=-1.4!,f=-6.3!) USER MOD Single : A 37 ASN : amide:sc= -0.0927 K(o=-0.093,f=-1.2!) USER MOD Single : A 38 GLN : amide:sc= -6.39! K(o=-6.4!,f=-1.5) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -1.13 K(o=-1.1,f=-0.0069) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot -39:sc= 0.344 USER MOD Single : A 52 LYS NZ :NH3+ 163:sc= 1.13 (180deg=1.01) USER MOD Single : A 57 LYS NZ :NH3+ -114:sc= 1.31 (180deg=-0.641) USER MOD Single : A 60 ASN : amide:sc= 0.14 K(o=0.14,f=-11!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.197 K(o=-0.2,f=-3.5!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 170:sc= -2.84! (180deg=-3.37!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= -0.247 K(o=-0.25,f=-0.94) USER MOD Single : A 98 GLN : amide:sc= -0.0078 K(o=-0.0078,f=-0.97) USER MOD Single : A 107 HIS : no HE2:sc= -0.0135 K(o=0.16,f=-6.2!) USER MOD ----------------------------------------------------------------- ATOM 90 N GLU A 6 -9.230 2.695 9.788 1.00 0.00 N ATOM 91 CA GLU A 6 -9.360 1.653 8.783 1.00 0.00 C ATOM 92 C GLU A 6 -8.424 1.925 7.612 1.00 0.00 C ATOM 93 O GLU A 6 -7.833 1.001 7.053 1.00 0.00 O ATOM 94 CB GLU A 6 -10.810 1.550 8.304 1.00 0.00 C ATOM 95 CG GLU A 6 -11.024 0.504 7.222 1.00 0.00 C ATOM 96 CD GLU A 6 -12.487 0.176 7.004 1.00 0.00 C ATOM 97 OE1 GLU A 6 -13.219 1.013 6.437 1.00 0.00 O ATOM 98 OE2 GLU A 6 -12.914 -0.929 7.404 1.00 0.00 O ATOM 0 HA GLU A 6 -9.080 0.700 9.232 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -11.449 1.315 9.155 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -11.128 2.521 7.926 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -10.593 0.862 6.287 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -10.489 -0.406 7.492 1.00 0.00 H new ATOM 105 N LEU A 7 -8.272 3.198 7.267 1.00 0.00 N ATOM 106 CA LEU A 7 -7.356 3.607 6.221 1.00 0.00 C ATOM 107 C LEU A 7 -5.930 3.201 6.574 1.00 0.00 C ATOM 108 O LEU A 7 -5.234 2.563 5.780 1.00 0.00 O ATOM 109 CB LEU A 7 -7.423 5.125 6.024 1.00 0.00 C ATOM 110 CG LEU A 7 -8.551 5.641 5.125 1.00 0.00 C ATOM 111 CD1 LEU A 7 -9.900 5.505 5.813 1.00 0.00 C ATOM 112 CD2 LEU A 7 -8.292 7.089 4.739 1.00 0.00 C ATOM 0 H LEU A 7 -8.779 3.968 7.704 1.00 0.00 H new ATOM 0 HA LEU A 7 -7.648 3.111 5.295 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -7.524 5.593 7.003 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.473 5.459 5.607 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.573 5.035 4.219 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -10.684 5.878 5.154 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -10.088 4.456 6.042 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -9.897 6.083 6.737 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -9.100 7.445 4.100 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -8.244 7.702 5.639 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.347 7.159 4.201 1.00 0.00 H new ATOM 124 N LEU A 8 -5.515 3.544 7.788 1.00 0.00 N ATOM 125 CA LEU A 8 -4.159 3.270 8.241 1.00 0.00 C ATOM 126 C LEU A 8 -3.956 1.778 8.460 1.00 0.00 C ATOM 127 O LEU A 8 -2.909 1.229 8.122 1.00 0.00 O ATOM 128 CB LEU A 8 -3.873 4.034 9.531 1.00 0.00 C ATOM 129 CG LEU A 8 -2.399 4.094 9.944 1.00 0.00 C ATOM 130 CD1 LEU A 8 -1.558 4.704 8.833 1.00 0.00 C ATOM 131 CD2 LEU A 8 -2.245 4.884 11.235 1.00 0.00 C ATOM 0 H LEU A 8 -6.102 4.014 8.478 1.00 0.00 H new ATOM 0 HA LEU A 8 -3.464 3.602 7.470 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -4.244 5.053 9.420 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.441 3.574 10.340 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.044 3.078 10.119 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.514 4.739 9.144 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.648 4.096 7.933 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.908 5.715 8.625 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.193 4.919 11.517 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.615 5.899 11.087 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.817 4.401 12.027 1.00 0.00 H new ATOM 143 N LYS A 9 -4.960 1.130 9.035 1.00 0.00 N ATOM 144 CA LYS A 9 -4.909 -0.312 9.255 1.00 0.00 C ATOM 145 C LYS A 9 -4.785 -1.060 7.933 1.00 0.00 C ATOM 146 O LYS A 9 -4.087 -2.066 7.850 1.00 0.00 O ATOM 147 CB LYS A 9 -6.140 -0.799 10.028 1.00 0.00 C ATOM 148 CG LYS A 9 -6.209 -2.314 10.171 1.00 0.00 C ATOM 149 CD LYS A 9 -7.308 -2.749 11.126 1.00 0.00 C ATOM 150 CE LYS A 9 -7.486 -4.262 11.113 1.00 0.00 C ATOM 151 NZ LYS A 9 -6.222 -4.983 11.432 1.00 0.00 N ATOM 0 H LYS A 9 -5.818 1.577 9.357 1.00 0.00 H new ATOM 0 HA LYS A 9 -4.024 -0.522 9.856 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -6.137 -0.348 11.020 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -7.039 -0.449 9.521 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -6.381 -2.762 9.193 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -5.250 -2.688 10.529 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -7.067 -2.418 12.136 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -8.246 -2.268 10.848 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -8.253 -4.541 11.835 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -7.843 -4.575 10.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -6.445 -5.876 11.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -5.706 -5.185 10.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -5.632 -4.392 12.052 1.00 0.00 H new ATOM 165 N ALA A 10 -5.454 -0.561 6.896 1.00 0.00 N ATOM 166 CA ALA A 10 -5.350 -1.155 5.569 1.00 0.00 C ATOM 167 C ALA A 10 -3.921 -1.041 5.050 1.00 0.00 C ATOM 168 O ALA A 10 -3.366 -1.998 4.502 1.00 0.00 O ATOM 169 CB ALA A 10 -6.325 -0.488 4.606 1.00 0.00 C ATOM 0 H ALA A 10 -6.071 0.250 6.950 1.00 0.00 H new ATOM 0 HA ALA A 10 -5.610 -2.211 5.640 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.233 -0.945 3.621 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -7.344 -0.617 4.972 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.097 0.576 4.536 1.00 0.00 H new ATOM 175 N GLU A 11 -3.327 0.131 5.249 1.00 0.00 N ATOM 176 CA GLU A 11 -1.945 0.376 4.859 1.00 0.00 C ATOM 177 C GLU A 11 -1.012 -0.559 5.630 1.00 0.00 C ATOM 178 O GLU A 11 -0.147 -1.219 5.050 1.00 0.00 O ATOM 179 CB GLU A 11 -1.581 1.839 5.140 1.00 0.00 C ATOM 180 CG GLU A 11 -0.237 2.262 4.571 1.00 0.00 C ATOM 181 CD GLU A 11 -0.269 2.454 3.069 1.00 0.00 C ATOM 182 OE1 GLU A 11 -0.430 1.478 2.334 1.00 0.00 O ATOM 183 OE2 GLU A 11 -0.111 3.599 2.596 1.00 0.00 O ATOM 0 H GLU A 11 -3.787 0.932 5.682 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.832 0.181 3.793 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.358 2.482 4.726 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.575 2.000 6.218 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.076 3.192 5.045 1.00 0.00 H new ATOM 0 HG3 GLU A 11 0.511 1.509 4.821 1.00 0.00 H new ATOM 190 N GLN A 12 -1.216 -0.629 6.943 1.00 0.00 N ATOM 191 CA GLN A 12 -0.418 -1.490 7.812 1.00 0.00 C ATOM 192 C GLN A 12 -0.595 -2.958 7.439 1.00 0.00 C ATOM 193 O GLN A 12 0.357 -3.741 7.486 1.00 0.00 O ATOM 194 CB GLN A 12 -0.811 -1.286 9.278 1.00 0.00 C ATOM 195 CG GLN A 12 -0.491 0.099 9.821 1.00 0.00 C ATOM 196 CD GLN A 12 -0.982 0.298 11.244 1.00 0.00 C ATOM 197 OE1 GLN A 12 -1.066 -0.650 12.026 1.00 0.00 O ATOM 198 NE2 GLN A 12 -1.315 1.530 11.589 1.00 0.00 N ATOM 0 H GLN A 12 -1.934 -0.094 7.432 1.00 0.00 H new ATOM 0 HA GLN A 12 0.629 -1.217 7.678 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -1.880 -1.468 9.385 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.298 -2.031 9.887 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.587 0.258 9.787 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -0.945 0.851 9.176 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -1.232 2.289 10.913 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -1.655 1.721 12.531 1.00 0.00 H new ATOM 207 N GLN A 13 -1.818 -3.325 7.078 1.00 0.00 N ATOM 208 CA GLN A 13 -2.136 -4.699 6.718 1.00 0.00 C ATOM 209 C GLN A 13 -1.331 -5.119 5.499 1.00 0.00 C ATOM 210 O GLN A 13 -0.791 -6.226 5.441 1.00 0.00 O ATOM 211 CB GLN A 13 -3.634 -4.838 6.431 1.00 0.00 C ATOM 212 CG GLN A 13 -4.181 -6.239 6.652 1.00 0.00 C ATOM 213 CD GLN A 13 -4.145 -6.648 8.112 1.00 0.00 C ATOM 214 OE1 GLN A 13 -4.242 -5.806 9.008 1.00 0.00 O ATOM 215 NE2 GLN A 13 -4.030 -7.940 8.364 1.00 0.00 N ATOM 0 H GLN A 13 -2.610 -2.685 7.027 1.00 0.00 H new ATOM 0 HA GLN A 13 -1.877 -5.349 7.554 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -4.181 -4.142 7.067 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -3.824 -4.544 5.399 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -5.208 -6.287 6.289 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -3.601 -6.950 6.064 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -3.952 -8.605 7.594 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -4.019 -8.273 9.328 1.00 0.00 H new ATOM 224 N GLY A 14 -1.243 -4.214 4.533 1.00 0.00 N ATOM 225 CA GLY A 14 -0.448 -4.461 3.348 1.00 0.00 C ATOM 226 C GLY A 14 1.025 -4.572 3.675 1.00 0.00 C ATOM 227 O GLY A 14 1.725 -5.408 3.112 1.00 0.00 O ATOM 0 H GLY A 14 -1.712 -3.308 4.551 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.785 -5.380 2.869 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.602 -3.654 2.632 1.00 0.00 H new ATOM 231 N ILE A 15 1.490 -3.737 4.598 1.00 0.00 N ATOM 232 CA ILE A 15 2.877 -3.789 5.049 1.00 0.00 C ATOM 233 C ILE A 15 3.193 -5.149 5.671 1.00 0.00 C ATOM 234 O ILE A 15 4.278 -5.698 5.466 1.00 0.00 O ATOM 235 CB ILE A 15 3.190 -2.667 6.066 1.00 0.00 C ATOM 236 CG1 ILE A 15 3.029 -1.295 5.402 1.00 0.00 C ATOM 237 CG2 ILE A 15 4.597 -2.823 6.631 1.00 0.00 C ATOM 238 CD1 ILE A 15 3.296 -0.131 6.332 1.00 0.00 C ATOM 0 H ILE A 15 0.927 -3.016 5.049 1.00 0.00 H new ATOM 0 HA ILE A 15 3.506 -3.640 4.171 1.00 0.00 H new ATOM 0 HB ILE A 15 2.484 -2.744 6.892 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.708 -1.231 4.551 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.016 -1.209 5.009 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.794 -2.022 7.344 1.00 0.00 H new ATOM 0 HG22 ILE A 15 4.682 -3.786 7.134 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.323 -2.773 5.819 1.00 0.00 H new ATOM 0 HD11 ILE A 15 3.162 0.805 5.790 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.600 -0.168 7.170 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.318 -0.191 6.706 1.00 0.00 H new ATOM 250 N LYS A 16 2.241 -5.693 6.423 1.00 0.00 N ATOM 251 CA LYS A 16 2.385 -7.031 6.993 1.00 0.00 C ATOM 252 C LYS A 16 2.582 -8.045 5.879 1.00 0.00 C ATOM 253 O LYS A 16 3.483 -8.879 5.930 1.00 0.00 O ATOM 254 CB LYS A 16 1.140 -7.401 7.795 1.00 0.00 C ATOM 255 CG LYS A 16 1.252 -8.744 8.503 1.00 0.00 C ATOM 256 CD LYS A 16 -0.024 -9.099 9.249 1.00 0.00 C ATOM 257 CE LYS A 16 0.069 -10.472 9.901 1.00 0.00 C ATOM 258 NZ LYS A 16 1.182 -10.556 10.888 1.00 0.00 N ATOM 0 H LYS A 16 1.362 -5.229 6.652 1.00 0.00 H new ATOM 0 HA LYS A 16 3.252 -7.037 7.654 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.950 -6.624 8.535 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.279 -7.422 7.126 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.474 -9.522 7.773 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.087 -8.717 9.204 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.221 -8.346 10.012 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.867 -9.080 8.558 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.873 -10.699 10.399 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.213 -11.229 9.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.103 -11.443 11.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.093 -10.535 10.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.128 -9.749 11.542 1.00 0.00 H new ATOM 272 N ILE A 17 1.733 -7.939 4.870 1.00 0.00 N ATOM 273 CA ILE A 17 1.811 -8.794 3.694 1.00 0.00 C ATOM 274 C ILE A 17 3.141 -8.597 2.969 1.00 0.00 C ATOM 275 O ILE A 17 3.784 -9.562 2.576 1.00 0.00 O ATOM 276 CB ILE A 17 0.645 -8.513 2.719 1.00 0.00 C ATOM 277 CG1 ILE A 17 -0.696 -8.769 3.414 1.00 0.00 C ATOM 278 CG2 ILE A 17 0.769 -9.371 1.465 1.00 0.00 C ATOM 279 CD1 ILE A 17 -1.904 -8.416 2.569 1.00 0.00 C ATOM 0 H ILE A 17 0.972 -7.260 4.842 1.00 0.00 H new ATOM 0 HA ILE A 17 1.739 -9.826 4.036 1.00 0.00 H new ATOM 0 HB ILE A 17 0.691 -7.466 2.418 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.755 -9.821 3.692 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.731 -8.192 4.338 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.062 -9.156 0.794 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.709 -9.146 0.962 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.749 -10.425 1.742 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.815 -8.625 3.130 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.871 -7.357 2.312 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -1.896 -9.011 1.656 1.00 0.00 H new ATOM 291 N LEU A 18 3.550 -7.345 2.808 1.00 0.00 N ATOM 292 CA LEU A 18 4.818 -7.030 2.159 1.00 0.00 C ATOM 293 C LEU A 18 5.987 -7.683 2.892 1.00 0.00 C ATOM 294 O LEU A 18 6.872 -8.266 2.271 1.00 0.00 O ATOM 295 CB LEU A 18 5.020 -5.514 2.081 1.00 0.00 C ATOM 296 CG LEU A 18 4.049 -4.771 1.157 1.00 0.00 C ATOM 297 CD1 LEU A 18 4.287 -3.270 1.219 1.00 0.00 C ATOM 298 CD2 LEU A 18 4.186 -5.269 -0.275 1.00 0.00 C ATOM 0 H LEU A 18 3.022 -6.529 3.118 1.00 0.00 H new ATOM 0 HA LEU A 18 4.785 -7.431 1.146 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.929 -5.100 3.085 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.038 -5.316 1.746 1.00 0.00 H new ATOM 0 HG LEU A 18 3.034 -4.973 1.500 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.587 -2.763 0.555 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.138 -2.920 2.240 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.308 -3.050 0.906 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.489 -4.730 -0.916 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.205 -5.099 -0.623 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.963 -6.335 -0.312 1.00 0.00 H new ATOM 310 N LYS A 19 5.980 -7.599 4.217 1.00 0.00 N ATOM 311 CA LYS A 19 7.008 -8.224 5.025 1.00 0.00 C ATOM 312 C LYS A 19 6.926 -9.746 4.925 1.00 0.00 C ATOM 313 O LYS A 19 7.945 -10.436 4.939 1.00 0.00 O ATOM 314 CB LYS A 19 6.869 -7.762 6.472 1.00 0.00 C ATOM 315 CG LYS A 19 7.303 -6.320 6.691 1.00 0.00 C ATOM 316 CD LYS A 19 7.262 -5.923 8.160 1.00 0.00 C ATOM 317 CE LYS A 19 5.840 -5.899 8.701 1.00 0.00 C ATOM 318 NZ LYS A 19 5.792 -5.389 10.098 1.00 0.00 N ATOM 0 H LYS A 19 5.269 -7.101 4.752 1.00 0.00 H new ATOM 0 HA LYS A 19 7.987 -7.923 4.652 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.830 -7.872 6.782 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.464 -8.414 7.112 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.315 -6.185 6.308 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.654 -5.656 6.119 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.860 -6.624 8.742 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.714 -4.939 8.283 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.218 -5.271 8.063 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.420 -6.904 8.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.807 -5.387 10.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.365 -6.003 10.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.170 -4.420 10.127 1.00 0.00 H new ATOM 332 N GLU A 20 5.705 -10.259 4.813 1.00 0.00 N ATOM 333 CA GLU A 20 5.475 -11.671 4.606 1.00 0.00 C ATOM 334 C GLU A 20 6.073 -12.123 3.274 1.00 0.00 C ATOM 335 O GLU A 20 6.768 -13.137 3.203 1.00 0.00 O ATOM 336 CB GLU A 20 3.973 -11.929 4.637 1.00 0.00 C ATOM 337 CG GLU A 20 3.477 -12.526 5.940 1.00 0.00 C ATOM 338 CD GLU A 20 4.188 -13.815 6.310 1.00 0.00 C ATOM 339 OE1 GLU A 20 4.147 -14.772 5.515 1.00 0.00 O ATOM 340 OE2 GLU A 20 4.775 -13.879 7.411 1.00 0.00 O ATOM 0 H GLU A 20 4.852 -9.702 4.864 1.00 0.00 H new ATOM 0 HA GLU A 20 5.961 -12.243 5.397 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.450 -10.990 4.457 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.713 -12.601 3.819 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.613 -11.800 6.741 1.00 0.00 H new ATOM 0 HG3 GLU A 20 2.407 -12.717 5.862 1.00 0.00 H new ATOM 347 N VAL A 21 5.815 -11.347 2.230 1.00 0.00 N ATOM 348 CA VAL A 21 6.361 -11.621 0.908 1.00 0.00 C ATOM 349 C VAL A 21 7.883 -11.497 0.920 1.00 0.00 C ATOM 350 O VAL A 21 8.583 -12.294 0.305 1.00 0.00 O ATOM 351 CB VAL A 21 5.776 -10.672 -0.160 1.00 0.00 C ATOM 352 CG1 VAL A 21 6.357 -10.979 -1.527 1.00 0.00 C ATOM 353 CG2 VAL A 21 4.261 -10.766 -0.195 1.00 0.00 C ATOM 0 H VAL A 21 5.226 -10.516 2.275 1.00 0.00 H new ATOM 0 HA VAL A 21 6.081 -12.642 0.649 1.00 0.00 H new ATOM 0 HB VAL A 21 6.050 -9.652 0.110 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.931 -10.299 -2.264 1.00 0.00 H new ATOM 0 HG12 VAL A 21 7.439 -10.853 -1.499 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.119 -12.007 -1.801 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.872 -10.088 -0.955 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.965 -11.788 -0.434 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.857 -10.490 0.779 1.00 0.00 H new ATOM 363 N LEU A 22 8.387 -10.496 1.633 1.00 0.00 N ATOM 364 CA LEU A 22 9.828 -10.292 1.760 1.00 0.00 C ATOM 365 C LEU A 22 10.484 -11.508 2.411 1.00 0.00 C ATOM 366 O LEU A 22 11.576 -11.923 2.020 1.00 0.00 O ATOM 367 CB LEU A 22 10.119 -9.034 2.582 1.00 0.00 C ATOM 368 CG LEU A 22 11.587 -8.603 2.619 1.00 0.00 C ATOM 369 CD1 LEU A 22 12.078 -8.264 1.218 1.00 0.00 C ATOM 370 CD2 LEU A 22 11.772 -7.421 3.553 1.00 0.00 C ATOM 0 H LEU A 22 7.820 -9.812 2.133 1.00 0.00 H new ATOM 0 HA LEU A 22 10.246 -10.162 0.762 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.526 -8.212 2.181 1.00 0.00 H new ATOM 0 HB3 LEU A 22 9.781 -9.202 3.604 1.00 0.00 H new ATOM 0 HG LEU A 22 12.181 -9.434 2.999 1.00 0.00 H new ATOM 0 HD11 LEU A 22 13.124 -7.959 1.263 1.00 0.00 H new ATOM 0 HD12 LEU A 22 11.982 -9.140 0.577 1.00 0.00 H new ATOM 0 HD13 LEU A 22 11.480 -7.449 0.810 1.00 0.00 H new ATOM 0 HD21 LEU A 22 12.822 -7.129 3.566 1.00 0.00 H new ATOM 0 HD22 LEU A 22 11.167 -6.584 3.205 1.00 0.00 H new ATOM 0 HD23 LEU A 22 11.460 -7.700 4.559 1.00 0.00 H new ATOM 382 N LYS A 23 9.808 -12.071 3.402 1.00 0.00 N ATOM 383 CA LYS A 23 10.255 -13.302 4.042 1.00 0.00 C ATOM 384 C LYS A 23 10.272 -14.429 3.022 1.00 0.00 C ATOM 385 O LYS A 23 11.267 -15.138 2.858 1.00 0.00 O ATOM 386 CB LYS A 23 9.299 -13.653 5.188 1.00 0.00 C ATOM 387 CG LYS A 23 9.770 -14.789 6.090 1.00 0.00 C ATOM 388 CD LYS A 23 9.424 -16.151 5.506 1.00 0.00 C ATOM 389 CE LYS A 23 9.994 -17.284 6.338 1.00 0.00 C ATOM 390 NZ LYS A 23 9.638 -18.612 5.779 1.00 0.00 N ATOM 0 H LYS A 23 8.941 -11.692 3.783 1.00 0.00 H new ATOM 0 HA LYS A 23 11.261 -13.164 4.439 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.145 -12.763 5.799 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.331 -13.921 4.765 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.848 -14.717 6.233 1.00 0.00 H new ATOM 0 HG3 LYS A 23 9.311 -14.687 7.073 1.00 0.00 H new ATOM 0 HD2 LYS A 23 8.341 -16.255 5.444 1.00 0.00 H new ATOM 0 HD3 LYS A 23 9.809 -16.218 4.489 1.00 0.00 H new ATOM 0 HE2 LYS A 23 11.079 -17.189 6.387 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.621 -17.208 7.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 10.403 -19.288 5.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.757 -18.948 6.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 9.504 -18.531 4.751 1.00 0.00 H new ATOM 404 N LYS A 24 9.150 -14.557 2.335 1.00 0.00 N ATOM 405 CA LYS A 24 8.967 -15.568 1.294 1.00 0.00 C ATOM 406 C LYS A 24 9.990 -15.427 0.170 1.00 0.00 C ATOM 407 O LYS A 24 10.314 -16.404 -0.498 1.00 0.00 O ATOM 408 CB LYS A 24 7.563 -15.457 0.693 1.00 0.00 C ATOM 409 CG LYS A 24 6.558 -16.461 1.233 1.00 0.00 C ATOM 410 CD LYS A 24 6.305 -16.286 2.721 1.00 0.00 C ATOM 411 CE LYS A 24 5.138 -17.147 3.169 1.00 0.00 C ATOM 412 NZ LYS A 24 4.906 -17.078 4.634 1.00 0.00 N ATOM 0 H LYS A 24 8.334 -13.963 2.480 1.00 0.00 H new ATOM 0 HA LYS A 24 9.105 -16.540 1.768 1.00 0.00 H new ATOM 0 HB2 LYS A 24 7.184 -14.451 0.874 1.00 0.00 H new ATOM 0 HB3 LYS A 24 7.635 -15.581 -0.388 1.00 0.00 H new ATOM 0 HG2 LYS A 24 5.617 -16.355 0.693 1.00 0.00 H new ATOM 0 HG3 LYS A 24 6.922 -17.471 1.046 1.00 0.00 H new ATOM 0 HD2 LYS A 24 7.200 -16.556 3.282 1.00 0.00 H new ATOM 0 HD3 LYS A 24 6.096 -15.239 2.939 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.236 -16.829 2.647 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.324 -18.182 2.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.442 -17.952 4.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.816 -16.970 5.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.297 -16.264 4.851 1.00 0.00 H new ATOM 426 N ALA A 25 10.492 -14.216 -0.030 1.00 0.00 N ATOM 427 CA ALA A 25 11.382 -13.913 -1.147 1.00 0.00 C ATOM 428 C ALA A 25 12.718 -14.646 -1.046 1.00 0.00 C ATOM 429 O ALA A 25 13.368 -14.897 -2.059 1.00 0.00 O ATOM 430 CB ALA A 25 11.610 -12.415 -1.236 1.00 0.00 C ATOM 0 H ALA A 25 10.296 -13.418 0.574 1.00 0.00 H new ATOM 0 HA ALA A 25 10.893 -14.265 -2.056 1.00 0.00 H new ATOM 0 HB1 ALA A 25 12.275 -12.197 -2.072 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.656 -11.910 -1.390 1.00 0.00 H new ATOM 0 HB3 ALA A 25 12.063 -12.060 -0.310 1.00 0.00 H new ATOM 436 N LYS A 26 13.128 -14.988 0.169 1.00 0.00 N ATOM 437 CA LYS A 26 14.372 -15.729 0.362 1.00 0.00 C ATOM 438 C LYS A 26 14.210 -17.168 -0.106 1.00 0.00 C ATOM 439 O LYS A 26 15.167 -17.808 -0.543 1.00 0.00 O ATOM 440 CB LYS A 26 14.800 -15.715 1.830 1.00 0.00 C ATOM 441 CG LYS A 26 15.243 -14.352 2.333 1.00 0.00 C ATOM 442 CD LYS A 26 15.717 -14.427 3.778 1.00 0.00 C ATOM 443 CE LYS A 26 16.203 -13.079 4.286 1.00 0.00 C ATOM 444 NZ LYS A 26 16.629 -13.147 5.710 1.00 0.00 N ATOM 0 H LYS A 26 12.625 -14.768 1.028 1.00 0.00 H new ATOM 0 HA LYS A 26 15.145 -15.240 -0.231 1.00 0.00 H new ATOM 0 HB2 LYS A 26 13.969 -16.064 2.443 1.00 0.00 H new ATOM 0 HB3 LYS A 26 15.617 -16.424 1.966 1.00 0.00 H new ATOM 0 HG2 LYS A 26 16.047 -13.972 1.703 1.00 0.00 H new ATOM 0 HG3 LYS A 26 14.416 -13.646 2.255 1.00 0.00 H new ATOM 0 HD2 LYS A 26 14.902 -14.781 4.410 1.00 0.00 H new ATOM 0 HD3 LYS A 26 16.522 -15.157 3.858 1.00 0.00 H new ATOM 0 HE2 LYS A 26 17.037 -12.739 3.673 1.00 0.00 H new ATOM 0 HE3 LYS A 26 15.407 -12.342 4.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 16.954 -12.209 6.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 15.826 -13.448 6.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 17.405 -13.832 5.808 1.00 0.00 H new ATOM 458 N GLU A 27 12.990 -17.663 -0.002 1.00 0.00 N ATOM 459 CA GLU A 27 12.672 -19.029 -0.374 1.00 0.00 C ATOM 460 C GLU A 27 12.202 -19.077 -1.826 1.00 0.00 C ATOM 461 O GLU A 27 12.810 -19.744 -2.665 1.00 0.00 O ATOM 462 CB GLU A 27 11.598 -19.557 0.577 1.00 0.00 C ATOM 463 CG GLU A 27 12.014 -19.447 2.034 1.00 0.00 C ATOM 464 CD GLU A 27 10.853 -19.522 2.996 1.00 0.00 C ATOM 465 OE1 GLU A 27 10.158 -18.503 3.176 1.00 0.00 O ATOM 466 OE2 GLU A 27 10.639 -20.591 3.601 1.00 0.00 O ATOM 0 H GLU A 27 12.192 -17.129 0.343 1.00 0.00 H new ATOM 0 HA GLU A 27 13.557 -19.660 -0.293 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.674 -19.001 0.422 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.386 -20.600 0.340 1.00 0.00 H new ATOM 0 HG2 GLU A 27 12.719 -20.246 2.264 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.540 -18.504 2.184 1.00 0.00 H new ATOM 473 N GLY A 28 11.132 -18.340 -2.103 1.00 0.00 N ATOM 474 CA GLY A 28 10.643 -18.163 -3.457 1.00 0.00 C ATOM 475 C GLY A 28 10.317 -19.456 -4.175 1.00 0.00 C ATOM 476 O GLY A 28 11.045 -19.863 -5.077 1.00 0.00 O ATOM 0 H GLY A 28 10.584 -17.852 -1.395 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.749 -17.541 -3.430 1.00 0.00 H new ATOM 0 HA3 GLY A 28 11.392 -17.620 -4.033 1.00 0.00 H new ATOM 480 N ASP A 29 9.222 -20.105 -3.792 1.00 0.00 N ATOM 481 CA ASP A 29 8.780 -21.293 -4.510 1.00 0.00 C ATOM 482 C ASP A 29 7.882 -20.887 -5.680 1.00 0.00 C ATOM 483 O ASP A 29 8.370 -20.743 -6.802 1.00 0.00 O ATOM 484 CB ASP A 29 8.065 -22.279 -3.582 1.00 0.00 C ATOM 485 CG ASP A 29 7.937 -23.658 -4.207 1.00 0.00 C ATOM 486 OD1 ASP A 29 8.928 -24.417 -4.186 1.00 0.00 O ATOM 487 OD2 ASP A 29 6.848 -23.993 -4.716 1.00 0.00 O ATOM 0 H ASP A 29 8.634 -19.834 -3.003 1.00 0.00 H new ATOM 0 HA ASP A 29 9.659 -21.805 -4.901 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.613 -22.356 -2.643 1.00 0.00 H new ATOM 0 HB3 ASP A 29 7.073 -21.896 -3.341 1.00 0.00 H new ATOM 492 N GLU A 30 6.586 -20.665 -5.421 1.00 0.00 N ATOM 493 CA GLU A 30 5.680 -20.170 -6.464 1.00 0.00 C ATOM 494 C GLU A 30 4.285 -19.821 -5.926 1.00 0.00 C ATOM 495 O GLU A 30 3.852 -18.674 -6.038 1.00 0.00 O ATOM 496 CB GLU A 30 5.556 -21.169 -7.627 1.00 0.00 C ATOM 497 CG GLU A 30 5.099 -22.562 -7.220 1.00 0.00 C ATOM 498 CD GLU A 30 4.846 -23.464 -8.409 1.00 0.00 C ATOM 499 OE1 GLU A 30 3.713 -23.456 -8.938 1.00 0.00 O ATOM 500 OE2 GLU A 30 5.773 -24.195 -8.813 1.00 0.00 O ATOM 0 H GLU A 30 6.148 -20.818 -4.513 1.00 0.00 H new ATOM 0 HA GLU A 30 6.131 -19.249 -6.834 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.853 -20.770 -8.358 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.523 -21.249 -8.124 1.00 0.00 H new ATOM 0 HG2 GLU A 30 5.855 -23.015 -6.579 1.00 0.00 H new ATOM 0 HG3 GLU A 30 4.187 -22.482 -6.629 1.00 0.00 H new ATOM 507 N GLN A 31 3.596 -20.796 -5.333 1.00 0.00 N ATOM 508 CA GLN A 31 2.174 -20.654 -5.003 1.00 0.00 C ATOM 509 C GLN A 31 1.916 -19.501 -4.041 1.00 0.00 C ATOM 510 O GLN A 31 0.991 -18.712 -4.245 1.00 0.00 O ATOM 511 CB GLN A 31 1.623 -21.957 -4.415 1.00 0.00 C ATOM 512 CG GLN A 31 1.604 -23.121 -5.400 1.00 0.00 C ATOM 513 CD GLN A 31 0.624 -22.921 -6.545 1.00 0.00 C ATOM 514 OE1 GLN A 31 0.350 -21.797 -6.966 1.00 0.00 O ATOM 515 NE2 GLN A 31 0.086 -24.015 -7.057 1.00 0.00 N ATOM 0 H GLN A 31 3.999 -21.695 -5.070 1.00 0.00 H new ATOM 0 HA GLN A 31 1.655 -20.429 -5.935 1.00 0.00 H new ATOM 0 HB2 GLN A 31 2.224 -22.236 -3.550 1.00 0.00 H new ATOM 0 HB3 GLN A 31 0.609 -21.782 -4.056 1.00 0.00 H new ATOM 0 HG2 GLN A 31 2.605 -23.260 -5.808 1.00 0.00 H new ATOM 0 HG3 GLN A 31 1.347 -24.036 -4.866 1.00 0.00 H new ATOM 0 HE21 GLN A 31 0.337 -24.930 -6.683 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -0.580 -23.944 -7.826 1.00 0.00 H new ATOM 524 N GLU A 32 2.735 -19.397 -3.006 1.00 0.00 N ATOM 525 CA GLU A 32 2.576 -18.349 -2.023 1.00 0.00 C ATOM 526 C GLU A 32 2.846 -16.988 -2.648 1.00 0.00 C ATOM 527 O GLU A 32 2.103 -16.036 -2.424 1.00 0.00 O ATOM 528 CB GLU A 32 3.521 -18.599 -0.856 1.00 0.00 C ATOM 529 CG GLU A 32 3.167 -19.835 -0.047 1.00 0.00 C ATOM 530 CD GLU A 32 4.193 -20.146 1.019 1.00 0.00 C ATOM 531 OE1 GLU A 32 5.251 -20.710 0.673 1.00 0.00 O ATOM 532 OE2 GLU A 32 3.941 -19.844 2.207 1.00 0.00 O ATOM 0 H GLU A 32 3.516 -20.029 -2.829 1.00 0.00 H new ATOM 0 HA GLU A 32 1.549 -18.355 -1.657 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.537 -18.702 -1.237 1.00 0.00 H new ATOM 0 HB3 GLU A 32 3.513 -17.729 -0.199 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.194 -19.691 0.422 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.075 -20.689 -0.718 1.00 0.00 H new ATOM 539 N LEU A 33 3.892 -16.917 -3.460 1.00 0.00 N ATOM 540 CA LEU A 33 4.276 -15.669 -4.113 1.00 0.00 C ATOM 541 C LEU A 33 3.183 -15.197 -5.064 1.00 0.00 C ATOM 542 O LEU A 33 2.842 -14.015 -5.095 1.00 0.00 O ATOM 543 CB LEU A 33 5.591 -15.852 -4.880 1.00 0.00 C ATOM 544 CG LEU A 33 6.812 -16.185 -4.021 1.00 0.00 C ATOM 545 CD1 LEU A 33 8.041 -16.346 -4.899 1.00 0.00 C ATOM 546 CD2 LEU A 33 7.038 -15.109 -2.968 1.00 0.00 C ATOM 0 H LEU A 33 4.493 -17.710 -3.684 1.00 0.00 H new ATOM 0 HA LEU A 33 4.416 -14.912 -3.341 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.456 -16.647 -5.613 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.798 -14.937 -5.436 1.00 0.00 H new ATOM 0 HG LEU A 33 6.629 -17.128 -3.505 1.00 0.00 H new ATOM 0 HD11 LEU A 33 8.904 -16.583 -4.277 1.00 0.00 H new ATOM 0 HD12 LEU A 33 7.875 -17.153 -5.612 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.227 -15.417 -5.439 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.911 -15.365 -2.368 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.203 -14.149 -3.458 1.00 0.00 H new ATOM 0 HD23 LEU A 33 6.162 -15.041 -2.323 1.00 0.00 H new ATOM 558 N ALA A 34 2.632 -16.129 -5.829 1.00 0.00 N ATOM 559 CA ALA A 34 1.577 -15.814 -6.784 1.00 0.00 C ATOM 560 C ALA A 34 0.332 -15.294 -6.076 1.00 0.00 C ATOM 561 O ALA A 34 -0.229 -14.265 -6.460 1.00 0.00 O ATOM 562 CB ALA A 34 1.239 -17.038 -7.622 1.00 0.00 C ATOM 0 H ALA A 34 2.899 -17.113 -5.807 1.00 0.00 H new ATOM 0 HA ALA A 34 1.942 -15.027 -7.443 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.450 -16.787 -8.331 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.126 -17.362 -8.167 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.899 -17.843 -6.970 1.00 0.00 H new ATOM 568 N ARG A 35 -0.085 -15.999 -5.031 1.00 0.00 N ATOM 569 CA ARG A 35 -1.278 -15.622 -4.282 1.00 0.00 C ATOM 570 C ARG A 35 -1.061 -14.292 -3.566 1.00 0.00 C ATOM 571 O ARG A 35 -1.907 -13.400 -3.623 1.00 0.00 O ATOM 572 CB ARG A 35 -1.638 -16.706 -3.267 1.00 0.00 C ATOM 573 CG ARG A 35 -3.012 -16.521 -2.646 1.00 0.00 C ATOM 574 CD ARG A 35 -3.266 -17.534 -1.543 1.00 0.00 C ATOM 575 NE ARG A 35 -4.636 -17.463 -1.036 1.00 0.00 N ATOM 576 CZ ARG A 35 -4.953 -17.311 0.252 1.00 0.00 C ATOM 577 NH1 ARG A 35 -3.998 -17.130 1.162 1.00 0.00 N ATOM 578 NH2 ARG A 35 -6.226 -17.321 0.621 1.00 0.00 N ATOM 0 H ARG A 35 0.385 -16.835 -4.683 1.00 0.00 H new ATOM 0 HA ARG A 35 -2.102 -15.512 -4.987 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -1.597 -17.679 -3.756 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.888 -16.715 -2.476 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -3.097 -15.512 -2.242 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -3.777 -16.621 -3.416 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -3.071 -18.538 -1.921 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -2.567 -17.361 -0.724 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.398 -17.534 -1.710 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -3.019 -17.107 0.876 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -4.245 -17.014 2.145 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -6.959 -17.444 -0.078 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -6.473 -17.205 1.604 1.00 0.00 H new ATOM 592 N LEU A 36 0.086 -14.167 -2.908 1.00 0.00 N ATOM 593 CA LEU A 36 0.423 -12.951 -2.178 1.00 0.00 C ATOM 594 C LEU A 36 0.483 -11.745 -3.109 1.00 0.00 C ATOM 595 O LEU A 36 0.031 -10.659 -2.751 1.00 0.00 O ATOM 596 CB LEU A 36 1.758 -13.117 -1.444 1.00 0.00 C ATOM 597 CG LEU A 36 1.704 -14.009 -0.199 1.00 0.00 C ATOM 598 CD1 LEU A 36 3.092 -14.168 0.406 1.00 0.00 C ATOM 599 CD2 LEU A 36 0.742 -13.431 0.828 1.00 0.00 C ATOM 0 H LEU A 36 0.799 -14.895 -2.865 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.364 -12.775 -1.445 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.489 -13.532 -2.139 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.120 -12.131 -1.151 1.00 0.00 H new ATOM 0 HG LEU A 36 1.343 -14.993 -0.498 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.033 -14.804 1.289 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.758 -14.624 -0.326 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.480 -13.189 0.689 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.716 -14.077 1.706 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.076 -12.435 1.120 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.256 -13.366 0.395 1.00 0.00 H new ATOM 611 N ASN A 37 1.021 -11.949 -4.308 1.00 0.00 N ATOM 612 CA ASN A 37 1.133 -10.876 -5.297 1.00 0.00 C ATOM 613 C ASN A 37 -0.249 -10.305 -5.616 1.00 0.00 C ATOM 614 O ASN A 37 -0.461 -9.092 -5.580 1.00 0.00 O ATOM 615 CB ASN A 37 1.787 -11.409 -6.580 1.00 0.00 C ATOM 616 CG ASN A 37 2.291 -10.313 -7.509 1.00 0.00 C ATOM 617 OD1 ASN A 37 1.782 -9.194 -7.521 1.00 0.00 O ATOM 618 ND2 ASN A 37 3.296 -10.638 -8.309 1.00 0.00 N ATOM 0 H ASN A 37 1.387 -12.848 -4.621 1.00 0.00 H new ATOM 0 HA ASN A 37 1.755 -10.083 -4.883 1.00 0.00 H new ATOM 0 HB2 ASN A 37 2.621 -12.057 -6.310 1.00 0.00 H new ATOM 0 HB3 ASN A 37 1.065 -12.025 -7.117 1.00 0.00 H new ATOM 0 HD21 ASN A 37 3.671 -9.950 -8.962 1.00 0.00 H new ATOM 0 HD22 ASN A 37 3.694 -11.576 -8.272 1.00 0.00 H new ATOM 625 N GLN A 38 -1.200 -11.193 -5.894 1.00 0.00 N ATOM 626 CA GLN A 38 -2.548 -10.800 -6.211 1.00 0.00 C ATOM 627 C GLN A 38 -3.244 -10.193 -5.000 1.00 0.00 C ATOM 628 O GLN A 38 -4.034 -9.255 -5.132 1.00 0.00 O ATOM 629 CB GLN A 38 -3.309 -12.018 -6.716 1.00 0.00 C ATOM 630 CG GLN A 38 -2.748 -12.627 -7.998 1.00 0.00 C ATOM 631 CD GLN A 38 -2.919 -11.753 -9.239 1.00 0.00 C ATOM 632 OE1 GLN A 38 -3.086 -12.265 -10.348 1.00 0.00 O ATOM 633 NE2 GLN A 38 -2.852 -10.439 -9.082 1.00 0.00 N ATOM 0 H GLN A 38 -1.047 -12.201 -5.903 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.525 -10.035 -6.987 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.309 -12.780 -5.936 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.348 -11.737 -6.887 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -1.687 -12.830 -7.855 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -3.235 -13.586 -8.174 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -2.713 -10.043 -8.152 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -2.939 -9.824 -9.891 1.00 0.00 H new ATOM 642 N GLU A 39 -2.951 -10.733 -3.823 1.00 0.00 N ATOM 643 CA GLU A 39 -3.526 -10.226 -2.586 1.00 0.00 C ATOM 644 C GLU A 39 -3.093 -8.780 -2.349 1.00 0.00 C ATOM 645 O GLU A 39 -3.904 -7.941 -1.962 1.00 0.00 O ATOM 646 CB GLU A 39 -3.111 -11.105 -1.405 1.00 0.00 C ATOM 647 CG GLU A 39 -4.283 -11.590 -0.568 1.00 0.00 C ATOM 648 CD GLU A 39 -5.279 -12.393 -1.377 1.00 0.00 C ATOM 649 OE1 GLU A 39 -5.004 -13.581 -1.657 1.00 0.00 O ATOM 650 OE2 GLU A 39 -6.341 -11.842 -1.735 1.00 0.00 O ATOM 0 H GLU A 39 -2.318 -11.523 -3.701 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.612 -10.253 -2.674 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.561 -11.968 -1.780 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.427 -10.544 -0.768 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.910 -12.201 0.254 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.788 -10.732 -0.124 1.00 0.00 H new ATOM 657 N ILE A 40 -1.814 -8.496 -2.599 1.00 0.00 N ATOM 658 CA ILE A 40 -1.288 -7.134 -2.484 1.00 0.00 C ATOM 659 C ILE A 40 -2.065 -6.186 -3.392 1.00 0.00 C ATOM 660 O ILE A 40 -2.521 -5.124 -2.957 1.00 0.00 O ATOM 661 CB ILE A 40 0.214 -7.069 -2.856 1.00 0.00 C ATOM 662 CG1 ILE A 40 1.046 -7.917 -1.892 1.00 0.00 C ATOM 663 CG2 ILE A 40 0.710 -5.628 -2.858 1.00 0.00 C ATOM 664 CD1 ILE A 40 2.507 -8.018 -2.280 1.00 0.00 C ATOM 0 H ILE A 40 -1.123 -9.191 -2.882 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.403 -6.831 -1.443 1.00 0.00 H new ATOM 0 HB ILE A 40 0.330 -7.473 -3.862 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.973 -7.491 -0.891 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.621 -8.920 -1.844 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.767 -5.608 -3.122 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.143 -5.049 -3.587 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.575 -5.195 -1.867 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.035 -8.634 -1.552 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.591 -8.472 -3.268 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.948 -7.021 -2.300 1.00 0.00 H new ATOM 676 N VAL A 41 -2.222 -6.592 -4.650 1.00 0.00 N ATOM 677 CA VAL A 41 -2.938 -5.793 -5.637 1.00 0.00 C ATOM 678 C VAL A 41 -4.353 -5.484 -5.163 1.00 0.00 C ATOM 679 O VAL A 41 -4.786 -4.334 -5.188 1.00 0.00 O ATOM 680 CB VAL A 41 -3.000 -6.511 -7.005 1.00 0.00 C ATOM 681 CG1 VAL A 41 -3.777 -5.684 -8.019 1.00 0.00 C ATOM 682 CG2 VAL A 41 -1.599 -6.803 -7.521 1.00 0.00 C ATOM 0 H VAL A 41 -1.860 -7.475 -5.010 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.388 -4.860 -5.756 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.522 -7.457 -6.865 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.806 -6.211 -8.973 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.794 -5.529 -7.659 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.288 -4.719 -8.152 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.664 -7.308 -8.485 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.052 -5.867 -7.638 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.076 -7.443 -6.810 1.00 0.00 H new ATOM 692 N LYS A 42 -5.060 -6.513 -4.711 1.00 0.00 N ATOM 693 CA LYS A 42 -6.431 -6.353 -4.240 1.00 0.00 C ATOM 694 C LYS A 42 -6.488 -5.469 -2.996 1.00 0.00 C ATOM 695 O LYS A 42 -7.312 -4.555 -2.911 1.00 0.00 O ATOM 696 CB LYS A 42 -7.058 -7.718 -3.932 1.00 0.00 C ATOM 697 CG LYS A 42 -8.456 -7.623 -3.332 1.00 0.00 C ATOM 698 CD LYS A 42 -8.993 -8.986 -2.935 1.00 0.00 C ATOM 699 CE LYS A 42 -10.341 -8.868 -2.239 1.00 0.00 C ATOM 700 NZ LYS A 42 -10.877 -10.195 -1.836 1.00 0.00 N ATOM 0 H LYS A 42 -4.706 -7.468 -4.661 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.998 -5.869 -5.035 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.104 -8.303 -4.850 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.411 -8.259 -3.242 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.433 -6.973 -2.458 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -9.131 -7.163 -4.054 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -9.093 -9.612 -3.822 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -8.282 -9.481 -2.274 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.240 -8.235 -1.358 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.051 -8.377 -2.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -11.796 -10.070 -1.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.998 -10.791 -2.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -10.212 -10.653 -1.181 1.00 0.00 H new ATOM 714 N ALA A 43 -5.600 -5.731 -2.044 1.00 0.00 N ATOM 715 CA ALA A 43 -5.634 -5.042 -0.760 1.00 0.00 C ATOM 716 C ALA A 43 -5.377 -3.551 -0.910 1.00 0.00 C ATOM 717 O ALA A 43 -6.137 -2.733 -0.386 1.00 0.00 O ATOM 718 CB ALA A 43 -4.624 -5.656 0.196 1.00 0.00 C ATOM 0 H ALA A 43 -4.849 -6.415 -2.137 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.636 -5.164 -0.350 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.661 -5.131 1.151 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.863 -6.708 0.351 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.623 -5.570 -0.227 1.00 0.00 H new ATOM 724 N GLU A 44 -4.327 -3.193 -1.643 1.00 0.00 N ATOM 725 CA GLU A 44 -3.976 -1.790 -1.803 1.00 0.00 C ATOM 726 C GLU A 44 -4.996 -1.074 -2.678 1.00 0.00 C ATOM 727 O GLU A 44 -5.374 0.059 -2.388 1.00 0.00 O ATOM 728 CB GLU A 44 -2.560 -1.626 -2.366 1.00 0.00 C ATOM 729 CG GLU A 44 -2.139 -0.169 -2.494 1.00 0.00 C ATOM 730 CD GLU A 44 -0.641 0.027 -2.607 1.00 0.00 C ATOM 731 OE1 GLU A 44 0.048 0.097 -1.580 1.00 0.00 O ATOM 732 OE2 GLU A 44 -0.122 0.183 -3.709 1.00 0.00 O ATOM 0 H GLU A 44 -3.713 -3.847 -2.129 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.991 -1.330 -0.815 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.855 -2.147 -1.719 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.506 -2.102 -3.345 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -2.620 0.263 -3.372 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -2.504 0.382 -1.627 1.00 0.00 H new ATOM 739 N LYS A 45 -5.461 -1.746 -3.728 1.00 0.00 N ATOM 740 CA LYS A 45 -6.446 -1.158 -4.628 1.00 0.00 C ATOM 741 C LYS A 45 -7.736 -0.849 -3.875 1.00 0.00 C ATOM 742 O LYS A 45 -8.380 0.175 -4.115 1.00 0.00 O ATOM 743 CB LYS A 45 -6.730 -2.101 -5.797 1.00 0.00 C ATOM 744 CG LYS A 45 -7.572 -1.482 -6.899 1.00 0.00 C ATOM 745 CD LYS A 45 -7.770 -2.443 -8.061 1.00 0.00 C ATOM 746 CE LYS A 45 -8.562 -1.801 -9.188 1.00 0.00 C ATOM 747 NZ LYS A 45 -8.775 -2.744 -10.317 1.00 0.00 N ATOM 0 H LYS A 45 -5.173 -2.693 -3.975 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.040 -0.226 -5.022 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.782 -2.433 -6.221 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.239 -2.988 -5.420 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.543 -1.192 -6.497 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.091 -0.572 -7.257 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.799 -2.767 -8.436 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.290 -3.335 -7.712 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -9.527 -1.464 -8.809 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.034 -0.917 -9.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -9.319 -2.271 -11.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.855 -3.046 -10.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -9.301 -3.576 -9.980 1.00 0.00 H new ATOM 761 N GLN A 46 -8.100 -1.738 -2.956 1.00 0.00 N ATOM 762 CA GLN A 46 -9.257 -1.526 -2.102 1.00 0.00 C ATOM 763 C GLN A 46 -9.014 -0.330 -1.189 1.00 0.00 C ATOM 764 O GLN A 46 -9.899 0.503 -0.985 1.00 0.00 O ATOM 765 CB GLN A 46 -9.531 -2.771 -1.258 1.00 0.00 C ATOM 766 CG GLN A 46 -10.866 -2.737 -0.536 1.00 0.00 C ATOM 767 CD GLN A 46 -11.091 -3.953 0.343 1.00 0.00 C ATOM 768 OE1 GLN A 46 -12.223 -4.396 0.529 1.00 0.00 O ATOM 769 NE2 GLN A 46 -10.015 -4.497 0.892 1.00 0.00 N ATOM 0 H GLN A 46 -7.606 -2.614 -2.786 1.00 0.00 H new ATOM 0 HA GLN A 46 -10.125 -1.330 -2.732 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -9.498 -3.650 -1.902 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -8.734 -2.884 -0.524 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -10.920 -1.837 0.076 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -11.669 -2.671 -1.270 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -9.094 -4.098 0.712 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -10.108 -5.315 1.495 1.00 0.00 H new ATOM 778 N GLY A 47 -7.799 -0.255 -0.652 1.00 0.00 N ATOM 779 CA GLY A 47 -7.424 0.840 0.223 1.00 0.00 C ATOM 780 C GLY A 47 -7.506 2.187 -0.468 1.00 0.00 C ATOM 781 O GLY A 47 -7.953 3.166 0.129 1.00 0.00 O ATOM 0 H GLY A 47 -7.061 -0.941 -0.810 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -8.076 0.843 1.097 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.408 0.681 0.584 1.00 0.00 H new ATOM 785 N VAL A 48 -7.098 2.231 -1.735 1.00 0.00 N ATOM 786 CA VAL A 48 -7.136 3.467 -2.518 1.00 0.00 C ATOM 787 C VAL A 48 -8.551 4.038 -2.552 1.00 0.00 C ATOM 788 O VAL A 48 -8.748 5.245 -2.424 1.00 0.00 O ATOM 789 CB VAL A 48 -6.645 3.242 -3.969 1.00 0.00 C ATOM 790 CG1 VAL A 48 -6.737 4.525 -4.781 1.00 0.00 C ATOM 791 CG2 VAL A 48 -5.221 2.718 -3.978 1.00 0.00 C ATOM 0 H VAL A 48 -6.736 1.424 -2.243 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.465 4.174 -2.030 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.294 2.497 -4.429 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -6.386 4.339 -5.796 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.773 4.863 -4.811 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.118 5.294 -4.318 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.895 2.567 -5.007 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.565 3.440 -3.492 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -5.179 1.770 -3.441 1.00 0.00 H new ATOM 801 N LYS A 49 -9.532 3.157 -2.695 1.00 0.00 N ATOM 802 CA LYS A 49 -10.931 3.566 -2.723 1.00 0.00 C ATOM 803 C LYS A 49 -11.333 4.202 -1.394 1.00 0.00 C ATOM 804 O LYS A 49 -11.964 5.259 -1.362 1.00 0.00 O ATOM 805 CB LYS A 49 -11.822 2.360 -3.019 1.00 0.00 C ATOM 806 CG LYS A 49 -13.304 2.692 -3.106 1.00 0.00 C ATOM 807 CD LYS A 49 -14.119 1.485 -3.541 1.00 0.00 C ATOM 808 CE LYS A 49 -13.778 1.067 -4.962 1.00 0.00 C ATOM 809 NZ LYS A 49 -14.543 -0.136 -5.387 1.00 0.00 N ATOM 0 H LYS A 49 -9.385 2.152 -2.794 1.00 0.00 H new ATOM 0 HA LYS A 49 -11.060 4.307 -3.512 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -11.505 1.909 -3.960 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -11.673 1.611 -2.241 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -13.658 3.041 -2.136 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -13.455 3.508 -3.813 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -13.932 0.654 -2.861 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -15.182 1.719 -3.474 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -13.990 1.891 -5.643 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -12.710 0.861 -5.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -14.281 -0.388 -6.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -14.322 -0.930 -4.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -15.562 0.068 -5.344 1.00 0.00 H new ATOM 823 N VAL A 50 -10.949 3.552 -0.304 1.00 0.00 N ATOM 824 CA VAL A 50 -11.270 4.032 1.037 1.00 0.00 C ATOM 825 C VAL A 50 -10.567 5.364 1.320 1.00 0.00 C ATOM 826 O VAL A 50 -11.148 6.276 1.915 1.00 0.00 O ATOM 827 CB VAL A 50 -10.879 2.995 2.112 1.00 0.00 C ATOM 828 CG1 VAL A 50 -11.390 3.416 3.479 1.00 0.00 C ATOM 829 CG2 VAL A 50 -11.415 1.615 1.751 1.00 0.00 C ATOM 0 H VAL A 50 -10.411 2.685 -0.321 1.00 0.00 H new ATOM 0 HA VAL A 50 -12.348 4.184 1.080 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.791 2.945 2.150 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -11.103 2.670 4.220 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -10.958 4.380 3.748 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -12.476 3.500 3.451 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.128 0.900 2.522 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -12.502 1.654 1.679 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.999 1.302 0.793 1.00 0.00 H new ATOM 839 N TYR A 51 -9.317 5.474 0.878 1.00 0.00 N ATOM 840 CA TYR A 51 -8.563 6.716 1.006 1.00 0.00 C ATOM 841 C TYR A 51 -9.221 7.835 0.209 1.00 0.00 C ATOM 842 O TYR A 51 -9.350 8.956 0.695 1.00 0.00 O ATOM 843 CB TYR A 51 -7.119 6.535 0.533 1.00 0.00 C ATOM 844 CG TYR A 51 -6.170 6.044 1.605 1.00 0.00 C ATOM 845 CD1 TYR A 51 -5.991 4.688 1.844 1.00 0.00 C ATOM 846 CD2 TYR A 51 -5.439 6.947 2.365 1.00 0.00 C ATOM 847 CE1 TYR A 51 -5.116 4.246 2.818 1.00 0.00 C ATOM 848 CE2 TYR A 51 -4.563 6.513 3.341 1.00 0.00 C ATOM 849 CZ TYR A 51 -4.401 5.163 3.560 1.00 0.00 C ATOM 850 OH TYR A 51 -3.525 4.728 4.527 1.00 0.00 O ATOM 0 H TYR A 51 -8.805 4.716 0.427 1.00 0.00 H new ATOM 0 HA TYR A 51 -8.557 6.986 2.062 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -7.107 5.829 -0.298 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -6.753 7.487 0.148 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -6.544 3.968 1.260 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -5.557 8.006 2.190 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -4.993 3.188 2.997 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -4.008 7.229 3.929 1.00 0.00 H new ATOM 0 HH TYR A 51 -3.913 3.962 4.999 1.00 0.00 H new ATOM 860 N LYS A 52 -9.642 7.519 -1.012 1.00 0.00 N ATOM 861 CA LYS A 52 -10.262 8.500 -1.895 1.00 0.00 C ATOM 862 C LYS A 52 -11.551 9.038 -1.272 1.00 0.00 C ATOM 863 O LYS A 52 -11.871 10.220 -1.403 1.00 0.00 O ATOM 864 CB LYS A 52 -10.544 7.866 -3.265 1.00 0.00 C ATOM 865 CG LYS A 52 -10.298 8.797 -4.445 1.00 0.00 C ATOM 866 CD LYS A 52 -11.462 9.746 -4.692 1.00 0.00 C ATOM 867 CE LYS A 52 -12.665 9.015 -5.265 1.00 0.00 C ATOM 868 NZ LYS A 52 -13.717 9.956 -5.737 1.00 0.00 N ATOM 0 H LYS A 52 -9.564 6.585 -1.414 1.00 0.00 H new ATOM 0 HA LYS A 52 -9.577 9.336 -2.033 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -9.919 6.980 -3.379 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -11.581 7.530 -3.291 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.393 9.377 -4.263 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -10.121 8.203 -5.342 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -11.742 10.232 -3.757 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -11.152 10.533 -5.380 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -12.345 8.384 -6.094 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -13.084 8.355 -4.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -14.374 9.454 -6.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -14.240 10.330 -4.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -13.273 10.742 -6.254 1.00 0.00 H new ATOM 882 N GLU A 53 -12.275 8.156 -0.586 1.00 0.00 N ATOM 883 CA GLU A 53 -13.486 8.518 0.125 1.00 0.00 C ATOM 884 C GLU A 53 -13.196 9.592 1.176 1.00 0.00 C ATOM 885 O GLU A 53 -13.885 10.610 1.250 1.00 0.00 O ATOM 886 CB GLU A 53 -14.039 7.253 0.778 1.00 0.00 C ATOM 887 CG GLU A 53 -15.531 7.264 1.029 1.00 0.00 C ATOM 888 CD GLU A 53 -15.925 7.974 2.307 1.00 0.00 C ATOM 889 OE1 GLU A 53 -15.573 7.480 3.401 1.00 0.00 O ATOM 890 OE2 GLU A 53 -16.606 9.017 2.234 1.00 0.00 O ATOM 0 H GLU A 53 -12.032 7.168 -0.511 1.00 0.00 H new ATOM 0 HA GLU A 53 -14.219 8.934 -0.566 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -13.799 6.400 0.144 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -13.527 7.099 1.728 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -16.029 7.745 0.187 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -15.892 6.236 1.068 1.00 0.00 H new ATOM 897 N ALA A 54 -12.162 9.364 1.977 1.00 0.00 N ATOM 898 CA ALA A 54 -11.777 10.303 3.025 1.00 0.00 C ATOM 899 C ALA A 54 -11.126 11.560 2.449 1.00 0.00 C ATOM 900 O ALA A 54 -11.290 12.651 2.993 1.00 0.00 O ATOM 901 CB ALA A 54 -10.841 9.629 4.019 1.00 0.00 C ATOM 0 H ALA A 54 -11.573 8.533 1.921 1.00 0.00 H new ATOM 0 HA ALA A 54 -12.685 10.612 3.542 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -10.561 10.341 4.796 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -11.345 8.776 4.473 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -9.945 9.287 3.501 1.00 0.00 H new ATOM 907 N ALA A 55 -10.393 11.397 1.353 1.00 0.00 N ATOM 908 CA ALA A 55 -9.666 12.500 0.726 1.00 0.00 C ATOM 909 C ALA A 55 -10.597 13.636 0.319 1.00 0.00 C ATOM 910 O ALA A 55 -10.259 14.811 0.461 1.00 0.00 O ATOM 911 CB ALA A 55 -8.893 12.000 -0.488 1.00 0.00 C ATOM 0 H ALA A 55 -10.285 10.503 0.875 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.967 12.892 1.465 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.356 12.831 -0.945 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.181 11.236 -0.176 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.588 11.575 -1.212 1.00 0.00 H new ATOM 917 N GLU A 56 -11.775 13.290 -0.180 1.00 0.00 N ATOM 918 CA GLU A 56 -12.735 14.297 -0.603 1.00 0.00 C ATOM 919 C GLU A 56 -13.461 14.889 0.602 1.00 0.00 C ATOM 920 O GLU A 56 -14.066 15.959 0.512 1.00 0.00 O ATOM 921 CB GLU A 56 -13.734 13.705 -1.597 1.00 0.00 C ATOM 922 CG GLU A 56 -13.075 13.152 -2.849 1.00 0.00 C ATOM 923 CD GLU A 56 -14.078 12.686 -3.879 1.00 0.00 C ATOM 924 OE1 GLU A 56 -14.514 11.517 -3.808 1.00 0.00 O ATOM 925 OE2 GLU A 56 -14.429 13.487 -4.769 1.00 0.00 O ATOM 0 H GLU A 56 -12.087 12.326 -0.301 1.00 0.00 H new ATOM 0 HA GLU A 56 -12.191 15.099 -1.102 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -14.295 12.909 -1.108 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -14.453 14.474 -1.882 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.439 13.920 -3.289 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.427 12.319 -2.576 1.00 0.00 H new ATOM 932 N LYS A 57 -13.372 14.198 1.734 1.00 0.00 N ATOM 933 CA LYS A 57 -13.967 14.669 2.981 1.00 0.00 C ATOM 934 C LYS A 57 -13.008 15.596 3.723 1.00 0.00 C ATOM 935 O LYS A 57 -13.312 16.071 4.819 1.00 0.00 O ATOM 936 CB LYS A 57 -14.348 13.486 3.878 1.00 0.00 C ATOM 937 CG LYS A 57 -15.649 12.803 3.485 1.00 0.00 C ATOM 938 CD LYS A 57 -16.039 11.712 4.474 1.00 0.00 C ATOM 939 CE LYS A 57 -15.051 10.558 4.455 1.00 0.00 C ATOM 940 NZ LYS A 57 -15.516 9.412 5.276 1.00 0.00 N ATOM 0 H LYS A 57 -12.890 13.303 1.814 1.00 0.00 H new ATOM 0 HA LYS A 57 -14.869 15.227 2.732 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -13.543 12.752 3.854 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -14.430 13.836 4.907 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -16.446 13.545 3.430 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -15.546 12.371 2.490 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -16.089 12.132 5.479 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -17.036 11.342 4.234 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -14.898 10.229 3.427 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -14.086 10.902 4.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -14.879 9.286 6.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -16.480 9.599 5.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -15.515 8.548 4.698 1.00 0.00 H new ATOM 954 N ALA A 58 -11.850 15.847 3.126 1.00 0.00 N ATOM 955 CA ALA A 58 -10.859 16.725 3.730 1.00 0.00 C ATOM 956 C ALA A 58 -11.355 18.169 3.776 1.00 0.00 C ATOM 957 O ALA A 58 -11.667 18.766 2.739 1.00 0.00 O ATOM 958 CB ALA A 58 -9.537 16.638 2.979 1.00 0.00 C ATOM 0 H ALA A 58 -11.575 15.455 2.225 1.00 0.00 H new ATOM 0 HA ALA A 58 -10.698 16.392 4.755 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -8.809 17.302 3.446 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -9.167 15.613 3.011 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -9.688 16.937 1.942 1.00 0.00 H new ATOM 964 N ARG A 59 -11.442 18.708 4.986 1.00 0.00 N ATOM 965 CA ARG A 59 -11.838 20.095 5.198 1.00 0.00 C ATOM 966 C ARG A 59 -10.772 21.047 4.666 1.00 0.00 C ATOM 967 O ARG A 59 -11.083 22.065 4.044 1.00 0.00 O ATOM 968 CB ARG A 59 -12.068 20.348 6.690 1.00 0.00 C ATOM 969 CG ARG A 59 -13.330 19.701 7.235 1.00 0.00 C ATOM 970 CD ARG A 59 -14.545 20.596 7.057 1.00 0.00 C ATOM 971 NE ARG A 59 -14.473 21.770 7.925 1.00 0.00 N ATOM 972 CZ ARG A 59 -15.055 22.941 7.671 1.00 0.00 C ATOM 973 NH1 ARG A 59 -15.770 23.113 6.571 1.00 0.00 N ATOM 974 NH2 ARG A 59 -14.923 23.941 8.533 1.00 0.00 N ATOM 0 H ARG A 59 -11.241 18.198 5.846 1.00 0.00 H new ATOM 0 HA ARG A 59 -12.765 20.278 4.655 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -11.210 19.975 7.249 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -12.118 21.423 6.863 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -13.500 18.752 6.727 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -13.196 19.477 8.293 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -14.615 20.914 6.017 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -15.451 20.032 7.280 1.00 0.00 H new ATOM 0 HE ARG A 59 -13.937 21.686 8.789 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -15.879 22.345 5.909 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -16.212 24.013 6.385 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -14.378 23.811 9.385 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -15.367 24.840 8.343 1.00 0.00 H new ATOM 988 N ASN A 60 -9.516 20.701 4.914 1.00 0.00 N ATOM 989 CA ASN A 60 -8.391 21.504 4.452 1.00 0.00 C ATOM 990 C ASN A 60 -7.885 20.992 3.104 1.00 0.00 C ATOM 991 O ASN A 60 -7.589 19.806 2.951 1.00 0.00 O ATOM 992 CB ASN A 60 -7.264 21.482 5.488 1.00 0.00 C ATOM 993 CG ASN A 60 -6.000 22.154 4.991 1.00 0.00 C ATOM 994 OD1 ASN A 60 -5.125 21.506 4.416 1.00 0.00 O ATOM 995 ND2 ASN A 60 -5.898 23.457 5.202 1.00 0.00 N ATOM 0 H ASN A 60 -9.249 19.866 5.435 1.00 0.00 H new ATOM 0 HA ASN A 60 -8.728 22.533 4.325 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -7.602 21.980 6.397 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -7.041 20.449 5.754 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.071 23.962 4.884 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.647 23.956 5.683 1.00 0.00 H new ATOM 1002 N PRO A 61 -7.779 21.889 2.110 1.00 0.00 N ATOM 1003 CA PRO A 61 -7.371 21.522 0.748 1.00 0.00 C ATOM 1004 C PRO A 61 -5.903 21.098 0.640 1.00 0.00 C ATOM 1005 O PRO A 61 -5.558 20.260 -0.191 1.00 0.00 O ATOM 1006 CB PRO A 61 -7.617 22.803 -0.057 1.00 0.00 C ATOM 1007 CG PRO A 61 -7.559 23.906 0.941 1.00 0.00 C ATOM 1008 CD PRO A 61 -8.068 23.332 2.233 1.00 0.00 C ATOM 0 HA PRO A 61 -7.928 20.655 0.392 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -6.862 22.933 -0.832 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -8.585 22.774 -0.557 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -6.540 24.275 1.054 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -8.170 24.751 0.623 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -7.562 23.770 3.093 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.134 23.518 2.362 1.00 0.00 H new ATOM 1016 N GLU A 62 -5.045 21.660 1.487 1.00 0.00 N ATOM 1017 CA GLU A 62 -3.609 21.392 1.405 1.00 0.00 C ATOM 1018 C GLU A 62 -3.312 19.945 1.750 1.00 0.00 C ATOM 1019 O GLU A 62 -2.577 19.255 1.045 1.00 0.00 O ATOM 1020 CB GLU A 62 -2.857 22.290 2.374 1.00 0.00 C ATOM 1021 CG GLU A 62 -1.346 22.193 2.243 1.00 0.00 C ATOM 1022 CD GLU A 62 -0.613 23.086 3.219 1.00 0.00 C ATOM 1023 OE1 GLU A 62 -0.857 22.975 4.441 1.00 0.00 O ATOM 1024 OE2 GLU A 62 0.226 23.894 2.774 1.00 0.00 O ATOM 0 H GLU A 62 -5.315 22.300 2.234 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.286 21.592 0.383 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.162 23.324 2.210 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.143 22.031 3.393 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.038 21.160 2.402 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.056 22.459 1.226 1.00 0.00 H new ATOM 1031 N LYS A 63 -3.916 19.488 2.831 1.00 0.00 N ATOM 1032 CA LYS A 63 -3.715 18.118 3.281 1.00 0.00 C ATOM 1033 C LYS A 63 -4.434 17.134 2.361 1.00 0.00 C ATOM 1034 O LYS A 63 -4.073 15.960 2.295 1.00 0.00 O ATOM 1035 CB LYS A 63 -4.165 17.939 4.736 1.00 0.00 C ATOM 1036 CG LYS A 63 -5.658 18.090 4.965 1.00 0.00 C ATOM 1037 CD LYS A 63 -5.994 18.056 6.447 1.00 0.00 C ATOM 1038 CE LYS A 63 -5.525 16.764 7.099 1.00 0.00 C ATOM 1039 NZ LYS A 63 -5.667 16.805 8.578 1.00 0.00 N ATOM 0 H LYS A 63 -4.547 20.039 3.413 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.647 17.905 3.237 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.858 16.950 5.077 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -3.641 18.667 5.355 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.001 19.030 4.533 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.190 17.290 4.451 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.528 18.906 6.946 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.071 18.160 6.579 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.101 15.928 6.702 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.482 16.585 6.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.337 15.906 8.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.098 17.587 8.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.666 16.951 8.827 1.00 0.00 H new ATOM 1053 N ARG A 64 -5.440 17.619 1.636 1.00 0.00 N ATOM 1054 CA ARG A 64 -6.115 16.795 0.641 1.00 0.00 C ATOM 1055 C ARG A 64 -5.152 16.448 -0.488 1.00 0.00 C ATOM 1056 O ARG A 64 -5.116 15.312 -0.958 1.00 0.00 O ATOM 1057 CB ARG A 64 -7.347 17.504 0.066 1.00 0.00 C ATOM 1058 CG ARG A 64 -7.955 16.763 -1.115 1.00 0.00 C ATOM 1059 CD ARG A 64 -9.125 17.508 -1.728 1.00 0.00 C ATOM 1060 NE ARG A 64 -9.538 16.897 -2.991 1.00 0.00 N ATOM 1061 CZ ARG A 64 -10.765 16.953 -3.497 1.00 0.00 C ATOM 1062 NH1 ARG A 64 -11.737 17.585 -2.846 1.00 0.00 N ATOM 1063 NH2 ARG A 64 -11.016 16.366 -4.661 1.00 0.00 N ATOM 0 H ARG A 64 -5.802 18.569 1.719 1.00 0.00 H new ATOM 0 HA ARG A 64 -6.448 15.882 1.135 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.098 17.610 0.849 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.069 18.510 -0.247 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.189 16.607 -1.875 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -8.287 15.777 -0.789 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -9.963 17.511 -1.031 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -8.848 18.549 -1.898 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.831 16.390 -3.523 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -11.544 18.032 -1.950 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -12.676 17.623 -3.243 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -10.270 15.878 -5.157 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -11.955 16.403 -5.059 1.00 0.00 H new ATOM 1077 N GLN A 65 -4.370 17.439 -0.907 1.00 0.00 N ATOM 1078 CA GLN A 65 -3.378 17.254 -1.961 1.00 0.00 C ATOM 1079 C GLN A 65 -2.375 16.181 -1.562 1.00 0.00 C ATOM 1080 O GLN A 65 -1.955 15.374 -2.391 1.00 0.00 O ATOM 1081 CB GLN A 65 -2.646 18.571 -2.244 1.00 0.00 C ATOM 1082 CG GLN A 65 -2.721 19.028 -3.694 1.00 0.00 C ATOM 1083 CD GLN A 65 -4.109 19.481 -4.110 1.00 0.00 C ATOM 1084 OE1 GLN A 65 -5.121 18.993 -3.610 1.00 0.00 O ATOM 1085 NE2 GLN A 65 -4.159 20.427 -5.032 1.00 0.00 N ATOM 0 H GLN A 65 -4.405 18.386 -0.529 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.895 16.936 -2.866 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.065 19.350 -1.607 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -1.599 18.459 -1.964 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -2.018 19.847 -3.846 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.404 18.211 -4.342 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -3.296 20.806 -5.422 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -5.061 20.778 -5.354 1.00 0.00 H new ATOM 1094 N VAL A 66 -2.010 16.170 -0.285 1.00 0.00 N ATOM 1095 CA VAL A 66 -1.101 15.160 0.242 1.00 0.00 C ATOM 1096 C VAL A 66 -1.698 13.765 0.073 1.00 0.00 C ATOM 1097 O VAL A 66 -1.028 12.846 -0.404 1.00 0.00 O ATOM 1098 CB VAL A 66 -0.789 15.408 1.735 1.00 0.00 C ATOM 1099 CG1 VAL A 66 0.206 14.382 2.267 1.00 0.00 C ATOM 1100 CG2 VAL A 66 -0.263 16.820 1.944 1.00 0.00 C ATOM 0 H VAL A 66 -2.330 16.850 0.405 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.171 15.229 -0.323 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.718 15.297 2.295 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.407 14.581 3.320 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.212 13.381 2.161 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.135 14.449 1.702 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.049 16.976 3.001 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.650 16.958 1.365 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.013 17.540 1.616 1.00 0.00 H new ATOM 1110 N ILE A 67 -2.965 13.624 0.445 1.00 0.00 N ATOM 1111 CA ILE A 67 -3.660 12.346 0.325 1.00 0.00 C ATOM 1112 C ILE A 67 -3.823 11.959 -1.143 1.00 0.00 C ATOM 1113 O ILE A 67 -3.652 10.800 -1.510 1.00 0.00 O ATOM 1114 CB ILE A 67 -5.049 12.387 1.000 1.00 0.00 C ATOM 1115 CG1 ILE A 67 -4.926 12.847 2.457 1.00 0.00 C ATOM 1116 CG2 ILE A 67 -5.715 11.016 0.930 1.00 0.00 C ATOM 1117 CD1 ILE A 67 -6.258 13.012 3.160 1.00 0.00 C ATOM 0 H ILE A 67 -3.532 14.378 0.832 1.00 0.00 H new ATOM 0 HA ILE A 67 -3.050 11.600 0.834 1.00 0.00 H new ATOM 0 HB ILE A 67 -5.671 13.103 0.464 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.323 12.125 3.007 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -4.391 13.796 2.485 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -6.693 11.061 1.410 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.836 10.723 -0.113 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -5.093 10.283 1.443 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -6.090 13.339 4.186 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -6.857 13.756 2.635 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -6.787 12.059 3.165 1.00 0.00 H new ATOM 1129 N ASP A 68 -4.139 12.943 -1.975 1.00 0.00 N ATOM 1130 CA ASP A 68 -4.315 12.725 -3.411 1.00 0.00 C ATOM 1131 C ASP A 68 -3.004 12.269 -4.042 1.00 0.00 C ATOM 1132 O ASP A 68 -2.993 11.425 -4.942 1.00 0.00 O ATOM 1133 CB ASP A 68 -4.807 14.012 -4.077 1.00 0.00 C ATOM 1134 CG ASP A 68 -5.359 13.787 -5.471 1.00 0.00 C ATOM 1135 OD1 ASP A 68 -6.562 13.471 -5.590 1.00 0.00 O ATOM 1136 OD2 ASP A 68 -4.601 13.946 -6.453 1.00 0.00 O ATOM 0 H ASP A 68 -4.280 13.909 -1.680 1.00 0.00 H new ATOM 0 HA ASP A 68 -5.060 11.944 -3.561 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.580 14.463 -3.455 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.984 14.725 -4.129 1.00 0.00 H new ATOM 1141 N LYS A 69 -1.897 12.831 -3.570 1.00 0.00 N ATOM 1142 CA LYS A 69 -0.577 12.383 -4.002 1.00 0.00 C ATOM 1143 C LYS A 69 -0.310 10.952 -3.544 1.00 0.00 C ATOM 1144 O LYS A 69 0.216 10.143 -4.306 1.00 0.00 O ATOM 1145 CB LYS A 69 0.525 13.302 -3.484 1.00 0.00 C ATOM 1146 CG LYS A 69 0.572 14.659 -4.171 1.00 0.00 C ATOM 1147 CD LYS A 69 1.846 15.410 -3.828 1.00 0.00 C ATOM 1148 CE LYS A 69 3.074 14.634 -4.273 1.00 0.00 C ATOM 1149 NZ LYS A 69 4.334 15.326 -3.908 1.00 0.00 N ATOM 0 H LYS A 69 -1.886 13.593 -2.892 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.569 12.416 -5.091 1.00 0.00 H new ATOM 0 HB2 LYS A 69 0.385 13.453 -2.414 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.488 12.807 -3.613 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.507 14.524 -5.251 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.293 15.251 -3.871 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.836 16.388 -4.309 1.00 0.00 H new ATOM 0 HD3 LYS A 69 1.891 15.584 -2.753 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.060 13.643 -3.819 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.040 14.490 -5.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 5.146 14.762 -4.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 4.360 16.261 -4.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 4.380 15.441 -2.875 1.00 0.00 H new ATOM 1163 N ILE A 70 -0.669 10.642 -2.300 1.00 0.00 N ATOM 1164 CA ILE A 70 -0.565 9.275 -1.793 1.00 0.00 C ATOM 1165 C ILE A 70 -1.399 8.336 -2.662 1.00 0.00 C ATOM 1166 O ILE A 70 -0.963 7.239 -3.009 1.00 0.00 O ATOM 1167 CB ILE A 70 -1.033 9.176 -0.321 1.00 0.00 C ATOM 1168 CG1 ILE A 70 -0.112 10.000 0.584 1.00 0.00 C ATOM 1169 CG2 ILE A 70 -1.072 7.724 0.142 1.00 0.00 C ATOM 1170 CD1 ILE A 70 -0.558 10.048 2.031 1.00 0.00 C ATOM 0 H ILE A 70 -1.033 11.316 -1.626 1.00 0.00 H new ATOM 0 HA ILE A 70 0.484 8.982 -1.833 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.044 9.579 -0.256 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.894 9.584 0.538 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.054 11.018 0.198 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.404 7.682 1.179 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.764 7.161 -0.484 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.075 7.290 0.062 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.144 10.649 2.608 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -1.551 10.492 2.091 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -0.588 9.037 2.436 1.00 0.00 H new ATOM 1182 N LEU A 71 -2.588 8.801 -3.025 1.00 0.00 N ATOM 1183 CA LEU A 71 -3.473 8.080 -3.917 1.00 0.00 C ATOM 1184 C LEU A 71 -2.781 7.786 -5.247 1.00 0.00 C ATOM 1185 O LEU A 71 -2.873 6.678 -5.776 1.00 0.00 O ATOM 1186 CB LEU A 71 -4.732 8.922 -4.140 1.00 0.00 C ATOM 1187 CG LEU A 71 -5.714 8.943 -2.971 1.00 0.00 C ATOM 1188 CD1 LEU A 71 -6.874 9.880 -3.265 1.00 0.00 C ATOM 1189 CD2 LEU A 71 -6.222 7.539 -2.676 1.00 0.00 C ATOM 0 H LEU A 71 -2.963 9.694 -2.705 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.743 7.124 -3.469 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.431 9.946 -4.359 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.250 8.546 -5.022 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.191 9.312 -2.089 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.563 9.882 -2.421 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -6.495 10.889 -3.426 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.397 9.542 -4.160 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.921 7.573 -1.840 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.728 7.143 -3.556 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.381 6.894 -2.420 1.00 0.00 H new ATOM 1201 N GLU A 72 -2.076 8.785 -5.762 1.00 0.00 N ATOM 1202 CA GLU A 72 -1.330 8.660 -7.008 1.00 0.00 C ATOM 1203 C GLU A 72 -0.196 7.655 -6.851 1.00 0.00 C ATOM 1204 O GLU A 72 0.020 6.804 -7.712 1.00 0.00 O ATOM 1205 CB GLU A 72 -0.783 10.043 -7.391 1.00 0.00 C ATOM 1206 CG GLU A 72 -0.117 10.127 -8.760 1.00 0.00 C ATOM 1207 CD GLU A 72 1.293 9.568 -8.771 1.00 0.00 C ATOM 1208 OE1 GLU A 72 2.096 9.938 -7.887 1.00 0.00 O ATOM 1209 OE2 GLU A 72 1.603 8.741 -9.652 1.00 0.00 O ATOM 0 H GLU A 72 -2.005 9.705 -5.328 1.00 0.00 H new ATOM 0 HA GLU A 72 -1.987 8.296 -7.798 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.603 10.760 -7.360 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.061 10.351 -6.635 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -0.722 9.584 -9.486 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.091 11.168 -9.082 1.00 0.00 H new ATOM 1216 N ASP A 73 0.527 7.754 -5.746 1.00 0.00 N ATOM 1217 CA ASP A 73 1.629 6.835 -5.474 1.00 0.00 C ATOM 1218 C ASP A 73 1.136 5.398 -5.368 1.00 0.00 C ATOM 1219 O ASP A 73 1.761 4.489 -5.903 1.00 0.00 O ATOM 1220 CB ASP A 73 2.403 7.228 -4.210 1.00 0.00 C ATOM 1221 CG ASP A 73 3.343 8.396 -4.446 1.00 0.00 C ATOM 1222 OD1 ASP A 73 4.298 8.246 -5.246 1.00 0.00 O ATOM 1223 OD2 ASP A 73 3.142 9.468 -3.837 1.00 0.00 O ATOM 0 H ASP A 73 0.374 8.458 -5.024 1.00 0.00 H new ATOM 0 HA ASP A 73 2.314 6.904 -6.319 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.697 7.487 -3.421 1.00 0.00 H new ATOM 0 HB3 ASP A 73 2.975 6.370 -3.857 1.00 0.00 H new ATOM 1228 N GLU A 74 0.007 5.193 -4.698 1.00 0.00 N ATOM 1229 CA GLU A 74 -0.570 3.856 -4.584 1.00 0.00 C ATOM 1230 C GLU A 74 -1.028 3.353 -5.953 1.00 0.00 C ATOM 1231 O GLU A 74 -0.845 2.180 -6.278 1.00 0.00 O ATOM 1232 CB GLU A 74 -1.731 3.845 -3.587 1.00 0.00 C ATOM 1233 CG GLU A 74 -1.344 4.296 -2.181 1.00 0.00 C ATOM 1234 CD GLU A 74 -0.380 3.357 -1.473 1.00 0.00 C ATOM 1235 OE1 GLU A 74 0.344 2.587 -2.148 1.00 0.00 O ATOM 1236 OE2 GLU A 74 -0.323 3.397 -0.220 1.00 0.00 O ATOM 0 H GLU A 74 -0.524 5.927 -4.229 1.00 0.00 H new ATOM 0 HA GLU A 74 0.201 3.183 -4.210 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -2.524 4.493 -3.960 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.142 2.837 -3.534 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -0.893 5.287 -2.240 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -2.248 4.393 -1.580 1.00 0.00 H new ATOM 1243 N GLU A 75 -1.599 4.246 -6.760 1.00 0.00 N ATOM 1244 CA GLU A 75 -1.951 3.913 -8.137 1.00 0.00 C ATOM 1245 C GLU A 75 -0.714 3.446 -8.896 1.00 0.00 C ATOM 1246 O GLU A 75 -0.746 2.452 -9.626 1.00 0.00 O ATOM 1247 CB GLU A 75 -2.563 5.130 -8.850 1.00 0.00 C ATOM 1248 CG GLU A 75 -4.023 5.394 -8.511 1.00 0.00 C ATOM 1249 CD GLU A 75 -4.892 4.153 -8.593 1.00 0.00 C ATOM 1250 OE1 GLU A 75 -4.496 3.184 -9.275 1.00 0.00 O ATOM 1251 OE2 GLU A 75 -5.937 4.124 -7.916 1.00 0.00 O ATOM 0 H GLU A 75 -1.826 5.201 -6.485 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.688 3.110 -8.116 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -1.979 6.015 -8.597 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.474 4.987 -9.927 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.086 5.807 -7.504 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -4.416 6.150 -9.191 1.00 0.00 H new ATOM 1258 N LYS A 76 0.377 4.173 -8.687 1.00 0.00 N ATOM 1259 CA LYS A 76 1.663 3.881 -9.308 1.00 0.00 C ATOM 1260 C LYS A 76 2.156 2.485 -8.914 1.00 0.00 C ATOM 1261 O LYS A 76 2.706 1.755 -9.738 1.00 0.00 O ATOM 1262 CB LYS A 76 2.672 4.949 -8.865 1.00 0.00 C ATOM 1263 CG LYS A 76 3.986 4.943 -9.622 1.00 0.00 C ATOM 1264 CD LYS A 76 5.006 5.905 -9.014 1.00 0.00 C ATOM 1265 CE LYS A 76 4.542 7.363 -9.046 1.00 0.00 C ATOM 1266 NZ LYS A 76 3.650 7.715 -7.902 1.00 0.00 N ATOM 0 H LYS A 76 0.394 4.989 -8.076 1.00 0.00 H new ATOM 0 HA LYS A 76 1.555 3.898 -10.392 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.211 5.931 -8.975 1.00 0.00 H new ATOM 0 HB3 LYS A 76 2.881 4.812 -7.804 1.00 0.00 H new ATOM 0 HG2 LYS A 76 4.397 3.934 -9.625 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.806 5.216 -10.662 1.00 0.00 H new ATOM 0 HD2 LYS A 76 5.202 5.614 -7.982 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.948 5.817 -9.555 1.00 0.00 H new ATOM 0 HE2 LYS A 76 5.414 8.017 -9.034 1.00 0.00 H new ATOM 0 HE3 LYS A 76 4.015 7.551 -9.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 3.505 8.745 -7.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 2.733 7.238 -8.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 4.090 7.408 -7.011 1.00 0.00 H new ATOM 1280 N HIS A 77 1.930 2.119 -7.656 1.00 0.00 N ATOM 1281 CA HIS A 77 2.377 0.829 -7.130 1.00 0.00 C ATOM 1282 C HIS A 77 1.640 -0.324 -7.797 1.00 0.00 C ATOM 1283 O HIS A 77 2.259 -1.291 -8.243 1.00 0.00 O ATOM 1284 CB HIS A 77 2.160 0.757 -5.617 1.00 0.00 C ATOM 1285 CG HIS A 77 2.975 1.736 -4.835 1.00 0.00 C ATOM 1286 ND1 HIS A 77 2.654 2.068 -3.538 1.00 0.00 N ATOM 1287 CD2 HIS A 77 4.081 2.418 -5.213 1.00 0.00 C ATOM 1288 CE1 HIS A 77 3.577 2.946 -3.162 1.00 0.00 C ATOM 1289 NE2 HIS A 77 4.458 3.186 -4.144 1.00 0.00 N ATOM 0 H HIS A 77 1.438 2.699 -6.977 1.00 0.00 H new ATOM 0 HA HIS A 77 3.441 0.741 -7.348 1.00 0.00 H new ATOM 0 HB2 HIS A 77 1.105 0.927 -5.404 1.00 0.00 H new ATOM 0 HB3 HIS A 77 2.396 -0.251 -5.275 1.00 0.00 H new ATOM 0 HD1 HIS A 77 1.874 1.715 -2.984 1.00 0.00 H new ATOM 0 HD2 HIS A 77 4.572 2.366 -6.174 1.00 0.00 H new ATOM 0 HE1 HIS A 77 3.613 3.409 -2.187 1.00 0.00 H new ATOM 1297 N ILE A 78 0.318 -0.213 -7.868 1.00 0.00 N ATOM 1298 CA ILE A 78 -0.509 -1.240 -8.499 1.00 0.00 C ATOM 1299 C ILE A 78 -0.067 -1.463 -9.945 1.00 0.00 C ATOM 1300 O ILE A 78 -0.029 -2.595 -10.439 1.00 0.00 O ATOM 1301 CB ILE A 78 -2.003 -0.850 -8.471 1.00 0.00 C ATOM 1302 CG1 ILE A 78 -2.444 -0.538 -7.037 1.00 0.00 C ATOM 1303 CG2 ILE A 78 -2.859 -1.965 -9.064 1.00 0.00 C ATOM 1304 CD1 ILE A 78 -3.843 0.031 -6.945 1.00 0.00 C ATOM 0 H ILE A 78 -0.207 0.579 -7.496 1.00 0.00 H new ATOM 0 HA ILE A 78 -0.381 -2.163 -7.933 1.00 0.00 H new ATOM 0 HB ILE A 78 -2.139 0.045 -9.078 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.392 -1.450 -6.443 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -1.743 0.170 -6.596 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -3.909 -1.672 -9.036 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -2.560 -2.143 -10.097 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -2.721 -2.877 -8.484 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -4.088 0.228 -5.901 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -3.896 0.961 -7.511 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -4.555 -0.685 -7.356 1.00 0.00 H new ATOM 1316 N GLU A 79 0.295 -0.370 -10.605 1.00 0.00 N ATOM 1317 CA GLU A 79 0.782 -0.412 -11.973 1.00 0.00 C ATOM 1318 C GLU A 79 2.096 -1.192 -12.067 1.00 0.00 C ATOM 1319 O GLU A 79 2.293 -1.974 -13.001 1.00 0.00 O ATOM 1320 CB GLU A 79 0.929 1.015 -12.503 1.00 0.00 C ATOM 1321 CG GLU A 79 -0.412 1.666 -12.815 1.00 0.00 C ATOM 1322 CD GLU A 79 -0.291 3.118 -13.229 1.00 0.00 C ATOM 1323 OE1 GLU A 79 0.479 3.414 -14.168 1.00 0.00 O ATOM 1324 OE2 GLU A 79 -0.986 3.968 -12.639 1.00 0.00 O ATOM 0 H GLU A 79 0.258 0.568 -10.206 1.00 0.00 H new ATOM 0 HA GLU A 79 0.060 -0.940 -12.596 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.459 1.619 -11.767 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.541 1.002 -13.405 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -0.902 1.108 -13.612 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -1.054 1.598 -11.937 1.00 0.00 H new ATOM 1331 N TRP A 80 2.982 -0.997 -11.089 1.00 0.00 N ATOM 1332 CA TRP A 80 4.248 -1.731 -11.043 1.00 0.00 C ATOM 1333 C TRP A 80 4.001 -3.235 -10.932 1.00 0.00 C ATOM 1334 O TRP A 80 4.625 -4.033 -11.635 1.00 0.00 O ATOM 1335 CB TRP A 80 5.108 -1.291 -9.854 1.00 0.00 C ATOM 1336 CG TRP A 80 5.612 0.117 -9.923 1.00 0.00 C ATOM 1337 CD1 TRP A 80 5.606 0.953 -11.004 1.00 0.00 C ATOM 1338 CD2 TRP A 80 6.220 0.847 -8.854 1.00 0.00 C ATOM 1339 NE1 TRP A 80 6.163 2.162 -10.666 1.00 0.00 N ATOM 1340 CE2 TRP A 80 6.550 2.120 -9.351 1.00 0.00 C ATOM 1341 CE3 TRP A 80 6.514 0.546 -7.522 1.00 0.00 C ATOM 1342 CZ2 TRP A 80 7.157 3.091 -8.563 1.00 0.00 C ATOM 1343 CZ3 TRP A 80 7.117 1.510 -6.741 1.00 0.00 C ATOM 1344 CH2 TRP A 80 7.434 2.770 -7.265 1.00 0.00 C ATOM 0 H TRP A 80 2.847 -0.340 -10.321 1.00 0.00 H new ATOM 0 HA TRP A 80 4.776 -1.509 -11.971 1.00 0.00 H new ATOM 0 HB2 TRP A 80 4.525 -1.408 -8.941 1.00 0.00 H new ATOM 0 HB3 TRP A 80 5.962 -1.963 -9.775 1.00 0.00 H new ATOM 0 HD1 TRP A 80 5.220 0.700 -11.980 1.00 0.00 H new ATOM 0 HE1 TRP A 80 6.271 2.961 -11.291 1.00 0.00 H new ATOM 0 HE3 TRP A 80 6.274 -0.423 -7.111 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 7.401 4.064 -8.963 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 7.348 1.290 -5.709 1.00 0.00 H new ATOM 0 HH2 TRP A 80 7.908 3.503 -6.629 1.00 0.00 H new ATOM 1355 N HIS A 81 3.079 -3.614 -10.053 1.00 0.00 N ATOM 1356 CA HIS A 81 2.791 -5.022 -9.803 1.00 0.00 C ATOM 1357 C HIS A 81 2.145 -5.692 -11.009 1.00 0.00 C ATOM 1358 O HIS A 81 2.306 -6.897 -11.213 1.00 0.00 O ATOM 1359 CB HIS A 81 1.924 -5.195 -8.554 1.00 0.00 C ATOM 1360 CG HIS A 81 2.708 -5.050 -7.285 1.00 0.00 C ATOM 1361 ND1 HIS A 81 3.345 -6.097 -6.651 1.00 0.00 N ATOM 1362 CD2 HIS A 81 2.990 -3.944 -6.553 1.00 0.00 C ATOM 1363 CE1 HIS A 81 3.987 -5.602 -5.584 1.00 0.00 C ATOM 1364 NE2 HIS A 81 3.802 -4.301 -5.480 1.00 0.00 N ATOM 0 H HIS A 81 2.518 -2.965 -9.501 1.00 0.00 H new ATOM 0 HA HIS A 81 3.745 -5.518 -9.626 1.00 0.00 H new ATOM 0 HB2 HIS A 81 1.122 -4.457 -8.568 1.00 0.00 H new ATOM 0 HB3 HIS A 81 1.453 -6.178 -8.576 1.00 0.00 H new ATOM 0 HD2 HIS A 81 2.640 -2.945 -6.768 1.00 0.00 H new ATOM 0 HE1 HIS A 81 4.578 -6.192 -4.899 1.00 0.00 H new ATOM 0 HE2 HIS A 81 4.177 -3.683 -4.761 1.00 0.00 H new ATOM 1372 N LYS A 82 1.404 -4.927 -11.801 1.00 0.00 N ATOM 1373 CA LYS A 82 0.843 -5.463 -13.033 1.00 0.00 C ATOM 1374 C LYS A 82 1.960 -5.894 -13.982 1.00 0.00 C ATOM 1375 O LYS A 82 1.892 -6.959 -14.592 1.00 0.00 O ATOM 1376 CB LYS A 82 -0.074 -4.453 -13.727 1.00 0.00 C ATOM 1377 CG LYS A 82 -0.615 -4.972 -15.049 1.00 0.00 C ATOM 1378 CD LYS A 82 -1.621 -4.027 -15.675 1.00 0.00 C ATOM 1379 CE LYS A 82 -2.070 -4.551 -17.026 1.00 0.00 C ATOM 1380 NZ LYS A 82 -3.172 -3.752 -17.611 1.00 0.00 N ATOM 0 H LYS A 82 1.180 -3.949 -11.616 1.00 0.00 H new ATOM 0 HA LYS A 82 0.241 -6.332 -12.767 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -0.907 -4.210 -13.067 1.00 0.00 H new ATOM 0 HB3 LYS A 82 0.475 -3.528 -13.901 1.00 0.00 H new ATOM 0 HG2 LYS A 82 0.213 -5.127 -15.741 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -1.084 -5.943 -14.890 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -2.483 -3.915 -15.017 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -1.177 -3.038 -15.791 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -1.222 -4.550 -17.711 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -2.394 -5.586 -16.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -3.440 -4.153 -18.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -3.993 -3.773 -16.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -2.858 -2.769 -17.739 1.00 0.00 H new ATOM 1394 N ALA A 83 2.999 -5.072 -14.083 1.00 0.00 N ATOM 1395 CA ALA A 83 4.153 -5.403 -14.910 1.00 0.00 C ATOM 1396 C ALA A 83 4.908 -6.591 -14.321 1.00 0.00 C ATOM 1397 O ALA A 83 5.501 -7.392 -15.048 1.00 0.00 O ATOM 1398 CB ALA A 83 5.075 -4.202 -15.042 1.00 0.00 C ATOM 0 H ALA A 83 3.066 -4.174 -13.604 1.00 0.00 H new ATOM 0 HA ALA A 83 3.798 -5.677 -15.903 1.00 0.00 H new ATOM 0 HB1 ALA A 83 5.931 -4.467 -15.662 1.00 0.00 H new ATOM 0 HB2 ALA A 83 4.533 -3.377 -15.504 1.00 0.00 H new ATOM 0 HB3 ALA A 83 5.423 -3.900 -14.054 1.00 0.00 H new ATOM 1404 N ALA A 84 4.875 -6.691 -12.997 1.00 0.00 N ATOM 1405 CA ALA A 84 5.500 -7.795 -12.276 1.00 0.00 C ATOM 1406 C ALA A 84 4.772 -9.110 -12.532 1.00 0.00 C ATOM 1407 O ALA A 84 5.367 -10.181 -12.447 1.00 0.00 O ATOM 1408 CB ALA A 84 5.540 -7.495 -10.786 1.00 0.00 C ATOM 0 H ALA A 84 4.415 -6.010 -12.393 1.00 0.00 H new ATOM 0 HA ALA A 84 6.520 -7.901 -12.645 1.00 0.00 H new ATOM 0 HB1 ALA A 84 6.009 -8.327 -10.260 1.00 0.00 H new ATOM 0 HB2 ALA A 84 6.116 -6.586 -10.613 1.00 0.00 H new ATOM 0 HB3 ALA A 84 4.524 -7.357 -10.415 1.00 0.00 H new ATOM 1485 N ALA A 90 12.850 -14.635 -7.559 1.00 0.00 N ATOM 1486 CA ALA A 90 12.895 -14.273 -6.145 1.00 0.00 C ATOM 1487 C ALA A 90 13.556 -12.912 -5.912 1.00 0.00 C ATOM 1488 O ALA A 90 12.980 -12.045 -5.257 1.00 0.00 O ATOM 1489 CB ALA A 90 13.618 -15.352 -5.357 1.00 0.00 C ATOM 0 HA ALA A 90 11.866 -14.192 -5.796 1.00 0.00 H new ATOM 0 HB1 ALA A 90 13.648 -15.075 -4.303 1.00 0.00 H new ATOM 0 HB2 ALA A 90 13.090 -16.299 -5.468 1.00 0.00 H new ATOM 0 HB3 ALA A 90 14.636 -15.457 -5.733 1.00 0.00 H new ATOM 1495 N GLU A 91 14.752 -12.727 -6.461 1.00 0.00 N ATOM 1496 CA GLU A 91 15.531 -11.520 -6.229 1.00 0.00 C ATOM 1497 C GLU A 91 14.817 -10.271 -6.743 1.00 0.00 C ATOM 1498 O GLU A 91 14.699 -9.276 -6.026 1.00 0.00 O ATOM 1499 CB GLU A 91 16.891 -11.667 -6.900 1.00 0.00 C ATOM 1500 CG GLU A 91 17.783 -12.706 -6.239 1.00 0.00 C ATOM 1501 CD GLU A 91 18.937 -13.124 -7.122 1.00 0.00 C ATOM 1502 OE1 GLU A 91 20.010 -12.491 -7.054 1.00 0.00 O ATOM 1503 OE2 GLU A 91 18.773 -14.092 -7.897 1.00 0.00 O ATOM 0 H GLU A 91 15.204 -13.405 -7.074 1.00 0.00 H new ATOM 0 HA GLU A 91 15.657 -11.395 -5.154 1.00 0.00 H new ATOM 0 HB2 GLU A 91 16.744 -11.938 -7.946 1.00 0.00 H new ATOM 0 HB3 GLU A 91 17.399 -10.703 -6.889 1.00 0.00 H new ATOM 0 HG2 GLU A 91 18.172 -12.304 -5.304 1.00 0.00 H new ATOM 0 HG3 GLU A 91 17.187 -13.583 -5.985 1.00 0.00 H new ATOM 1510 N GLN A 92 14.332 -10.330 -7.975 1.00 0.00 N ATOM 1511 CA GLN A 92 13.617 -9.202 -8.560 1.00 0.00 C ATOM 1512 C GLN A 92 12.288 -8.950 -7.853 1.00 0.00 C ATOM 1513 O GLN A 92 11.865 -7.800 -7.708 1.00 0.00 O ATOM 1514 CB GLN A 92 13.390 -9.420 -10.058 1.00 0.00 C ATOM 1515 CG GLN A 92 14.588 -9.027 -10.906 1.00 0.00 C ATOM 1516 CD GLN A 92 14.893 -7.543 -10.817 1.00 0.00 C ATOM 1517 OE1 GLN A 92 13.992 -6.722 -10.638 1.00 0.00 O ATOM 1518 NE2 GLN A 92 16.161 -7.182 -10.928 1.00 0.00 N ATOM 0 H GLN A 92 14.419 -11.141 -8.587 1.00 0.00 H new ATOM 0 HA GLN A 92 14.240 -8.318 -8.425 1.00 0.00 H new ATOM 0 HB2 GLN A 92 13.156 -10.470 -10.235 1.00 0.00 H new ATOM 0 HB3 GLN A 92 12.522 -8.842 -10.376 1.00 0.00 H new ATOM 0 HG2 GLN A 92 15.461 -9.595 -10.584 1.00 0.00 H new ATOM 0 HG3 GLN A 92 14.399 -9.295 -11.945 1.00 0.00 H new ATOM 0 HE21 GLN A 92 16.881 -7.889 -11.076 1.00 0.00 H new ATOM 0 HE22 GLN A 92 16.418 -6.197 -10.866 1.00 0.00 H new ATOM 1527 N PHE A 93 11.638 -10.013 -7.399 1.00 0.00 N ATOM 1528 CA PHE A 93 10.367 -9.873 -6.705 1.00 0.00 C ATOM 1529 C PHE A 93 10.585 -9.212 -5.345 1.00 0.00 C ATOM 1530 O PHE A 93 9.830 -8.323 -4.951 1.00 0.00 O ATOM 1531 CB PHE A 93 9.686 -11.232 -6.538 1.00 0.00 C ATOM 1532 CG PHE A 93 8.251 -11.131 -6.108 1.00 0.00 C ATOM 1533 CD1 PHE A 93 7.411 -10.181 -6.670 1.00 0.00 C ATOM 1534 CD2 PHE A 93 7.741 -11.985 -5.148 1.00 0.00 C ATOM 1535 CE1 PHE A 93 6.093 -10.082 -6.276 1.00 0.00 C ATOM 1536 CE2 PHE A 93 6.421 -11.892 -4.751 1.00 0.00 C ATOM 1537 CZ PHE A 93 5.597 -10.939 -5.315 1.00 0.00 C ATOM 0 H PHE A 93 11.967 -10.973 -7.498 1.00 0.00 H new ATOM 0 HA PHE A 93 9.712 -9.240 -7.304 1.00 0.00 H new ATOM 0 HB2 PHE A 93 9.737 -11.774 -7.482 1.00 0.00 H new ATOM 0 HB3 PHE A 93 10.237 -11.819 -5.803 1.00 0.00 H new ATOM 0 HD1 PHE A 93 7.794 -9.511 -7.425 1.00 0.00 H new ATOM 0 HD2 PHE A 93 8.381 -12.733 -4.704 1.00 0.00 H new ATOM 0 HE1 PHE A 93 5.450 -9.335 -6.719 1.00 0.00 H new ATOM 0 HE2 PHE A 93 6.034 -12.565 -4.000 1.00 0.00 H new ATOM 0 HZ PHE A 93 4.565 -10.864 -5.004 1.00 0.00 H new ATOM 1547 N ALA A 94 11.635 -9.639 -4.649 1.00 0.00 N ATOM 1548 CA ALA A 94 12.002 -9.051 -3.363 1.00 0.00 C ATOM 1549 C ALA A 94 12.313 -7.567 -3.521 1.00 0.00 C ATOM 1550 O ALA A 94 11.942 -6.751 -2.678 1.00 0.00 O ATOM 1551 CB ALA A 94 13.204 -9.775 -2.775 1.00 0.00 C ATOM 0 H ALA A 94 12.249 -10.393 -4.955 1.00 0.00 H new ATOM 0 HA ALA A 94 11.157 -9.159 -2.683 1.00 0.00 H new ATOM 0 HB1 ALA A 94 13.466 -9.326 -1.817 1.00 0.00 H new ATOM 0 HB2 ALA A 94 12.959 -10.827 -2.628 1.00 0.00 H new ATOM 0 HB3 ALA A 94 14.049 -9.691 -3.458 1.00 0.00 H new ATOM 1557 N SER A 95 12.982 -7.237 -4.618 1.00 0.00 N ATOM 1558 CA SER A 95 13.345 -5.861 -4.920 1.00 0.00 C ATOM 1559 C SER A 95 12.091 -4.998 -5.054 1.00 0.00 C ATOM 1560 O SER A 95 12.013 -3.906 -4.488 1.00 0.00 O ATOM 1561 CB SER A 95 14.174 -5.816 -6.210 1.00 0.00 C ATOM 1562 OG SER A 95 14.672 -4.512 -6.470 1.00 0.00 O ATOM 0 H SER A 95 13.286 -7.912 -5.319 1.00 0.00 H new ATOM 0 HA SER A 95 13.946 -5.462 -4.103 1.00 0.00 H new ATOM 0 HB2 SER A 95 15.007 -6.515 -6.132 1.00 0.00 H new ATOM 0 HB3 SER A 95 13.560 -6.145 -7.049 1.00 0.00 H new ATOM 0 HG SER A 95 15.196 -4.521 -7.298 1.00 0.00 H new ATOM 1568 N LEU A 96 11.097 -5.508 -5.779 1.00 0.00 N ATOM 1569 CA LEU A 96 9.840 -4.792 -5.969 1.00 0.00 C ATOM 1570 C LEU A 96 9.157 -4.544 -4.635 1.00 0.00 C ATOM 1571 O LEU A 96 8.737 -3.428 -4.334 1.00 0.00 O ATOM 1572 CB LEU A 96 8.906 -5.596 -6.879 1.00 0.00 C ATOM 1573 CG LEU A 96 7.507 -5.000 -7.082 1.00 0.00 C ATOM 1574 CD1 LEU A 96 7.593 -3.590 -7.660 1.00 0.00 C ATOM 1575 CD2 LEU A 96 6.681 -5.893 -7.991 1.00 0.00 C ATOM 0 H LEU A 96 11.139 -6.415 -6.244 1.00 0.00 H new ATOM 0 HA LEU A 96 10.063 -3.832 -6.436 1.00 0.00 H new ATOM 0 HB2 LEU A 96 9.381 -5.703 -7.854 1.00 0.00 H new ATOM 0 HB3 LEU A 96 8.798 -6.599 -6.465 1.00 0.00 H new ATOM 0 HG LEU A 96 7.019 -4.939 -6.109 1.00 0.00 H new ATOM 0 HD11 LEU A 96 6.588 -3.190 -7.794 1.00 0.00 H new ATOM 0 HD12 LEU A 96 8.150 -2.950 -6.976 1.00 0.00 H new ATOM 0 HD13 LEU A 96 8.103 -3.622 -8.623 1.00 0.00 H new ATOM 0 HD21 LEU A 96 5.691 -5.458 -8.126 1.00 0.00 H new ATOM 0 HD22 LEU A 96 7.174 -5.982 -8.959 1.00 0.00 H new ATOM 0 HD23 LEU A 96 6.585 -6.881 -7.541 1.00 0.00 H new ATOM 1587 N VAL A 97 9.075 -5.592 -3.831 1.00 0.00 N ATOM 1588 CA VAL A 97 8.428 -5.512 -2.531 1.00 0.00 C ATOM 1589 C VAL A 97 9.142 -4.509 -1.626 1.00 0.00 C ATOM 1590 O VAL A 97 8.501 -3.721 -0.935 1.00 0.00 O ATOM 1591 CB VAL A 97 8.377 -6.896 -1.848 1.00 0.00 C ATOM 1592 CG1 VAL A 97 7.740 -6.803 -0.472 1.00 0.00 C ATOM 1593 CG2 VAL A 97 7.619 -7.886 -2.720 1.00 0.00 C ATOM 0 H VAL A 97 9.451 -6.513 -4.058 1.00 0.00 H new ATOM 0 HA VAL A 97 7.406 -5.169 -2.694 1.00 0.00 H new ATOM 0 HB VAL A 97 9.400 -7.251 -1.721 1.00 0.00 H new ATOM 0 HG11 VAL A 97 7.717 -7.792 -0.014 1.00 0.00 H new ATOM 0 HG12 VAL A 97 8.323 -6.127 0.154 1.00 0.00 H new ATOM 0 HG13 VAL A 97 6.723 -6.423 -0.567 1.00 0.00 H new ATOM 0 HG21 VAL A 97 7.590 -8.858 -2.227 1.00 0.00 H new ATOM 0 HG22 VAL A 97 6.601 -7.528 -2.876 1.00 0.00 H new ATOM 0 HG23 VAL A 97 8.122 -7.982 -3.682 1.00 0.00 H new ATOM 1603 N GLN A 98 10.469 -4.525 -1.657 1.00 0.00 N ATOM 1604 CA GLN A 98 11.271 -3.611 -0.850 1.00 0.00 C ATOM 1605 C GLN A 98 11.003 -2.156 -1.236 1.00 0.00 C ATOM 1606 O GLN A 98 10.810 -1.296 -0.372 1.00 0.00 O ATOM 1607 CB GLN A 98 12.758 -3.932 -1.022 1.00 0.00 C ATOM 1608 CG GLN A 98 13.680 -3.030 -0.219 1.00 0.00 C ATOM 1609 CD GLN A 98 15.144 -3.273 -0.533 1.00 0.00 C ATOM 1610 OE1 GLN A 98 15.498 -3.650 -1.649 1.00 0.00 O ATOM 1611 NE2 GLN A 98 16.008 -3.058 0.448 1.00 0.00 N ATOM 0 H GLN A 98 11.015 -5.164 -2.235 1.00 0.00 H new ATOM 0 HA GLN A 98 10.990 -3.743 0.195 1.00 0.00 H new ATOM 0 HB2 GLN A 98 12.932 -4.967 -0.728 1.00 0.00 H new ATOM 0 HB3 GLN A 98 13.017 -3.852 -2.078 1.00 0.00 H new ATOM 0 HG2 GLN A 98 13.435 -1.988 -0.426 1.00 0.00 H new ATOM 0 HG3 GLN A 98 13.507 -3.193 0.845 1.00 0.00 H new ATOM 0 HE21 GLN A 98 15.676 -2.746 1.360 1.00 0.00 H new ATOM 0 HE22 GLN A 98 17.005 -3.205 0.291 1.00 0.00 H new ATOM 1620 N GLN A 99 10.978 -1.893 -2.538 1.00 0.00 N ATOM 1621 CA GLN A 99 10.758 -0.547 -3.047 1.00 0.00 C ATOM 1622 C GLN A 99 9.346 -0.064 -2.721 1.00 0.00 C ATOM 1623 O GLN A 99 9.131 1.114 -2.427 1.00 0.00 O ATOM 1624 CB GLN A 99 11.009 -0.507 -4.558 1.00 0.00 C ATOM 1625 CG GLN A 99 12.434 -0.884 -4.941 1.00 0.00 C ATOM 1626 CD GLN A 99 12.668 -0.880 -6.440 1.00 0.00 C ATOM 1627 OE1 GLN A 99 12.045 -0.120 -7.180 1.00 0.00 O ATOM 1628 NE2 GLN A 99 13.564 -1.739 -6.901 1.00 0.00 N ATOM 0 H GLN A 99 11.108 -2.599 -3.262 1.00 0.00 H new ATOM 0 HA GLN A 99 11.462 0.126 -2.558 1.00 0.00 H new ATOM 0 HB2 GLN A 99 10.315 -1.186 -5.053 1.00 0.00 H new ATOM 0 HB3 GLN A 99 10.793 0.495 -4.929 1.00 0.00 H new ATOM 0 HG2 GLN A 99 13.127 -0.187 -4.469 1.00 0.00 H new ATOM 0 HG3 GLN A 99 12.660 -1.875 -4.547 1.00 0.00 H new ATOM 0 HE21 GLN A 99 14.061 -2.353 -6.256 1.00 0.00 H new ATOM 0 HE22 GLN A 99 13.758 -1.786 -7.901 1.00 0.00 H new ATOM 1637 N HIS A 100 8.392 -0.985 -2.762 1.00 0.00 N ATOM 1638 CA HIS A 100 7.012 -0.679 -2.403 1.00 0.00 C ATOM 1639 C HIS A 100 6.918 -0.425 -0.896 1.00 0.00 C ATOM 1640 O HIS A 100 6.273 0.526 -0.450 1.00 0.00 O ATOM 1641 CB HIS A 100 6.104 -1.853 -2.813 1.00 0.00 C ATOM 1642 CG HIS A 100 4.635 -1.540 -2.828 1.00 0.00 C ATOM 1643 ND1 HIS A 100 3.703 -2.283 -3.517 1.00 0.00 N ATOM 1644 CD2 HIS A 100 3.937 -0.561 -2.204 1.00 0.00 C ATOM 1645 CE1 HIS A 100 2.499 -1.744 -3.303 1.00 0.00 C ATOM 1646 NE2 HIS A 100 2.581 -0.692 -2.509 1.00 0.00 N ATOM 0 H HIS A 100 8.549 -1.953 -3.041 1.00 0.00 H new ATOM 0 HA HIS A 100 6.684 0.218 -2.928 1.00 0.00 H new ATOM 0 HB2 HIS A 100 6.399 -2.192 -3.806 1.00 0.00 H new ATOM 0 HB3 HIS A 100 6.277 -2.683 -2.129 1.00 0.00 H new ATOM 0 HD2 HIS A 100 4.363 0.202 -1.569 1.00 0.00 H new ATOM 0 HE1 HIS A 100 1.579 -2.120 -3.725 1.00 0.00 H new ATOM 0 HE2 HIS A 100 1.815 -0.100 -2.187 1.00 0.00 H new ATOM 1654 N LEU A 101 7.604 -1.265 -0.128 1.00 0.00 N ATOM 1655 CA LEU A 101 7.580 -1.202 1.332 1.00 0.00 C ATOM 1656 C LEU A 101 8.026 0.159 1.856 1.00 0.00 C ATOM 1657 O LEU A 101 7.387 0.730 2.741 1.00 0.00 O ATOM 1658 CB LEU A 101 8.486 -2.296 1.902 1.00 0.00 C ATOM 1659 CG LEU A 101 7.781 -3.370 2.737 1.00 0.00 C ATOM 1660 CD1 LEU A 101 8.764 -4.452 3.158 1.00 0.00 C ATOM 1661 CD2 LEU A 101 7.120 -2.751 3.961 1.00 0.00 C ATOM 0 H LEU A 101 8.193 -2.010 -0.499 1.00 0.00 H new ATOM 0 HA LEU A 101 6.550 -1.356 1.655 1.00 0.00 H new ATOM 0 HB2 LEU A 101 9.001 -2.784 1.075 1.00 0.00 H new ATOM 0 HB3 LEU A 101 9.251 -1.825 2.520 1.00 0.00 H new ATOM 0 HG LEU A 101 7.007 -3.826 2.120 1.00 0.00 H new ATOM 0 HD11 LEU A 101 8.244 -5.205 3.750 1.00 0.00 H new ATOM 0 HD12 LEU A 101 9.192 -4.919 2.271 1.00 0.00 H new ATOM 0 HD13 LEU A 101 9.561 -4.008 3.755 1.00 0.00 H new ATOM 0 HD21 LEU A 101 6.625 -3.530 4.540 1.00 0.00 H new ATOM 0 HD22 LEU A 101 7.877 -2.266 4.577 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.384 -2.013 3.643 1.00 0.00 H new ATOM 1673 N GLN A 102 9.116 0.679 1.302 1.00 0.00 N ATOM 1674 CA GLN A 102 9.669 1.941 1.730 1.00 0.00 C ATOM 1675 C GLN A 102 8.679 3.086 1.541 1.00 0.00 C ATOM 1676 O GLN A 102 8.590 3.981 2.382 1.00 0.00 O ATOM 1677 CB GLN A 102 10.944 2.207 0.945 1.00 0.00 C ATOM 1678 CG GLN A 102 12.184 1.558 1.539 1.00 0.00 C ATOM 1679 CD GLN A 102 12.486 2.044 2.946 1.00 0.00 C ATOM 1680 OE1 GLN A 102 13.186 3.039 3.141 1.00 0.00 O ATOM 1681 NE2 GLN A 102 11.971 1.343 3.944 1.00 0.00 N ATOM 0 H GLN A 102 9.634 0.232 0.546 1.00 0.00 H new ATOM 0 HA GLN A 102 9.890 1.883 2.796 1.00 0.00 H new ATOM 0 HB2 GLN A 102 10.812 1.847 -0.075 1.00 0.00 H new ATOM 0 HB3 GLN A 102 11.103 3.284 0.885 1.00 0.00 H new ATOM 0 HG2 GLN A 102 12.051 0.476 1.554 1.00 0.00 H new ATOM 0 HG3 GLN A 102 13.040 1.765 0.897 1.00 0.00 H new ATOM 0 HE21 GLN A 102 11.395 0.524 3.748 1.00 0.00 H new ATOM 0 HE22 GLN A 102 12.150 1.622 4.909 1.00 0.00 H new ATOM 1690 N ASP A 103 7.925 3.047 0.448 1.00 0.00 N ATOM 1691 CA ASP A 103 6.962 4.103 0.164 1.00 0.00 C ATOM 1692 C ASP A 103 5.814 4.043 1.161 1.00 0.00 C ATOM 1693 O ASP A 103 5.351 5.070 1.654 1.00 0.00 O ATOM 1694 CB ASP A 103 6.411 3.977 -1.255 1.00 0.00 C ATOM 1695 CG ASP A 103 6.174 5.328 -1.901 1.00 0.00 C ATOM 1696 OD1 ASP A 103 5.120 5.944 -1.649 1.00 0.00 O ATOM 1697 OD2 ASP A 103 7.049 5.781 -2.669 1.00 0.00 O ATOM 0 H ASP A 103 7.961 2.303 -0.249 1.00 0.00 H new ATOM 0 HA ASP A 103 7.476 5.060 0.253 1.00 0.00 H new ATOM 0 HB2 ASP A 103 7.109 3.403 -1.864 1.00 0.00 H new ATOM 0 HB3 ASP A 103 5.475 3.419 -1.231 1.00 0.00 H new ATOM 1702 N GLU A 104 5.377 2.828 1.473 1.00 0.00 N ATOM 1703 CA GLU A 104 4.266 2.628 2.396 1.00 0.00 C ATOM 1704 C GLU A 104 4.648 3.038 3.809 1.00 0.00 C ATOM 1705 O GLU A 104 3.835 3.604 4.542 1.00 0.00 O ATOM 1706 CB GLU A 104 3.802 1.172 2.380 1.00 0.00 C ATOM 1707 CG GLU A 104 3.399 0.677 1.001 1.00 0.00 C ATOM 1708 CD GLU A 104 2.374 1.566 0.324 1.00 0.00 C ATOM 1709 OE1 GLU A 104 1.800 2.459 0.985 1.00 0.00 O ATOM 1710 OE2 GLU A 104 2.129 1.385 -0.883 1.00 0.00 O ATOM 0 H GLU A 104 5.775 1.966 1.100 1.00 0.00 H new ATOM 0 HA GLU A 104 3.443 3.261 2.064 1.00 0.00 H new ATOM 0 HB2 GLU A 104 4.603 0.540 2.764 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.956 1.062 3.058 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.287 0.612 0.372 1.00 0.00 H new ATOM 0 HG3 GLU A 104 2.995 -0.332 1.088 1.00 0.00 H new ATOM 1717 N GLN A 105 5.888 2.761 4.189 1.00 0.00 N ATOM 1718 CA GLN A 105 6.392 3.180 5.477 1.00 0.00 C ATOM 1719 C GLN A 105 6.394 4.703 5.574 1.00 0.00 C ATOM 1720 O GLN A 105 6.118 5.264 6.628 1.00 0.00 O ATOM 1721 CB GLN A 105 7.791 2.615 5.702 1.00 0.00 C ATOM 1722 CG GLN A 105 7.798 1.128 6.018 1.00 0.00 C ATOM 1723 CD GLN A 105 9.194 0.584 6.257 1.00 0.00 C ATOM 1724 OE1 GLN A 105 9.853 0.104 5.336 1.00 0.00 O ATOM 1725 NE2 GLN A 105 9.658 0.666 7.493 1.00 0.00 N ATOM 0 H GLN A 105 6.559 2.247 3.618 1.00 0.00 H new ATOM 0 HA GLN A 105 5.738 2.792 6.258 1.00 0.00 H new ATOM 0 HB2 GLN A 105 8.394 2.792 4.811 1.00 0.00 H new ATOM 0 HB3 GLN A 105 8.266 3.155 6.521 1.00 0.00 H new ATOM 0 HG2 GLN A 105 7.186 0.946 6.901 1.00 0.00 H new ATOM 0 HG3 GLN A 105 7.337 0.584 5.194 1.00 0.00 H new ATOM 0 HE21 GLN A 105 9.080 1.071 8.229 1.00 0.00 H new ATOM 0 HE22 GLN A 105 10.594 0.324 7.710 1.00 0.00 H new ATOM 1734 N ARG A 106 6.680 5.357 4.455 1.00 0.00 N ATOM 1735 CA ARG A 106 6.613 6.809 4.370 1.00 0.00 C ATOM 1736 C ARG A 106 5.176 7.290 4.563 1.00 0.00 C ATOM 1737 O ARG A 106 4.935 8.285 5.244 1.00 0.00 O ATOM 1738 CB ARG A 106 7.143 7.274 3.012 1.00 0.00 C ATOM 1739 CG ARG A 106 7.008 8.770 2.773 1.00 0.00 C ATOM 1740 CD ARG A 106 7.356 9.143 1.341 1.00 0.00 C ATOM 1741 NE ARG A 106 8.768 8.922 1.028 1.00 0.00 N ATOM 1742 CZ ARG A 106 9.205 8.392 -0.116 1.00 0.00 C ATOM 1743 NH1 ARG A 106 8.341 7.959 -1.030 1.00 0.00 N ATOM 1744 NH2 ARG A 106 10.509 8.282 -0.346 1.00 0.00 N ATOM 0 H ARG A 106 6.963 4.900 3.588 1.00 0.00 H new ATOM 0 HA ARG A 106 7.230 7.235 5.161 1.00 0.00 H new ATOM 0 HB2 ARG A 106 8.194 6.997 2.930 1.00 0.00 H new ATOM 0 HB3 ARG A 106 6.610 6.741 2.224 1.00 0.00 H new ATOM 0 HG2 ARG A 106 5.987 9.083 2.993 1.00 0.00 H new ATOM 0 HG3 ARG A 106 7.662 9.309 3.459 1.00 0.00 H new ATOM 0 HD2 ARG A 106 6.741 8.558 0.658 1.00 0.00 H new ATOM 0 HD3 ARG A 106 7.110 10.192 1.173 1.00 0.00 H new ATOM 0 HE ARG A 106 9.461 9.189 1.727 1.00 0.00 H new ATOM 0 HH11 ARG A 106 7.338 8.031 -0.858 1.00 0.00 H new ATOM 0 HH12 ARG A 106 8.681 7.555 -1.902 1.00 0.00 H new ATOM 0 HH21 ARG A 106 11.179 8.603 0.353 1.00 0.00 H new ATOM 0 HH22 ARG A 106 10.840 7.876 -1.221 1.00 0.00 H new ATOM 1758 N HIS A 107 4.225 6.570 3.967 1.00 0.00 N ATOM 1759 CA HIS A 107 2.808 6.913 4.100 1.00 0.00 C ATOM 1760 C HIS A 107 2.387 6.845 5.559 1.00 0.00 C ATOM 1761 O HIS A 107 1.814 7.793 6.091 1.00 0.00 O ATOM 1762 CB HIS A 107 1.922 5.974 3.267 1.00 0.00 C ATOM 1763 CG HIS A 107 2.145 6.064 1.787 1.00 0.00 C ATOM 1764 ND1 HIS A 107 1.521 5.206 0.909 1.00 0.00 N ATOM 1765 CD2 HIS A 107 2.941 6.909 1.091 1.00 0.00 C ATOM 1766 CE1 HIS A 107 1.964 5.555 -0.294 1.00 0.00 C ATOM 1767 NE2 HIS A 107 2.826 6.575 -0.234 1.00 0.00 N ATOM 0 H HIS A 107 4.408 5.749 3.390 1.00 0.00 H new ATOM 0 HA HIS A 107 2.678 7.929 3.727 1.00 0.00 H new ATOM 0 HB2 HIS A 107 2.100 4.947 3.587 1.00 0.00 H new ATOM 0 HB3 HIS A 107 0.876 6.198 3.479 1.00 0.00 H new ATOM 0 HD1 HIS A 107 0.860 4.462 1.134 1.00 0.00 H new ATOM 0 HD2 HIS A 107 3.552 7.699 1.502 1.00 0.00 H new ATOM 0 HE1 HIS A 107 1.663 5.072 -1.212 1.00 0.00 H new ATOM 1775 N VAL A 108 2.692 5.723 6.207 1.00 0.00 N ATOM 1776 CA VAL A 108 2.389 5.552 7.625 1.00 0.00 C ATOM 1777 C VAL A 108 3.099 6.618 8.452 1.00 0.00 C ATOM 1778 O VAL A 108 2.514 7.198 9.367 1.00 0.00 O ATOM 1779 CB VAL A 108 2.794 4.148 8.134 1.00 0.00 C ATOM 1780 CG1 VAL A 108 2.510 3.999 9.625 1.00 0.00 C ATOM 1781 CG2 VAL A 108 2.067 3.070 7.348 1.00 0.00 C ATOM 0 H VAL A 108 3.148 4.920 5.773 1.00 0.00 H new ATOM 0 HA VAL A 108 1.310 5.657 7.740 1.00 0.00 H new ATOM 0 HB VAL A 108 3.867 4.032 7.982 1.00 0.00 H new ATOM 0 HG11 VAL A 108 2.805 3.002 9.954 1.00 0.00 H new ATOM 0 HG12 VAL A 108 3.077 4.747 10.180 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.445 4.141 9.809 1.00 0.00 H new ATOM 0 HG21 VAL A 108 2.363 2.088 7.718 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.991 3.195 7.469 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.325 3.153 6.292 1.00 0.00 H new ATOM 1791 N GLU A 109 4.353 6.886 8.103 1.00 0.00 N ATOM 1792 CA GLU A 109 5.143 7.912 8.764 1.00 0.00 C ATOM 1793 C GLU A 109 4.458 9.269 8.697 1.00 0.00 C ATOM 1794 O GLU A 109 4.424 10.003 9.685 1.00 0.00 O ATOM 1795 CB GLU A 109 6.526 7.988 8.124 1.00 0.00 C ATOM 1796 CG GLU A 109 7.535 7.066 8.775 1.00 0.00 C ATOM 1797 CD GLU A 109 7.745 7.392 10.237 1.00 0.00 C ATOM 1798 OE1 GLU A 109 8.390 8.420 10.536 1.00 0.00 O ATOM 1799 OE2 GLU A 109 7.253 6.632 11.097 1.00 0.00 O ATOM 0 H GLU A 109 4.847 6.398 7.356 1.00 0.00 H new ATOM 0 HA GLU A 109 5.243 7.642 9.815 1.00 0.00 H new ATOM 0 HB2 GLU A 109 6.444 7.738 7.066 1.00 0.00 H new ATOM 0 HB3 GLU A 109 6.890 9.014 8.182 1.00 0.00 H new ATOM 0 HG2 GLU A 109 7.197 6.034 8.679 1.00 0.00 H new ATOM 0 HG3 GLU A 109 8.486 7.140 8.247 1.00 0.00 H new ATOM 1806 N GLU A 110 3.919 9.597 7.534 1.00 0.00 N ATOM 1807 CA GLU A 110 3.222 10.851 7.348 1.00 0.00 C ATOM 1808 C GLU A 110 1.882 10.862 8.083 1.00 0.00 C ATOM 1809 O GLU A 110 1.613 11.768 8.864 1.00 0.00 O ATOM 1810 CB GLU A 110 3.022 11.096 5.853 1.00 0.00 C ATOM 1811 CG GLU A 110 4.224 11.739 5.176 1.00 0.00 C ATOM 1812 CD GLU A 110 4.511 13.135 5.695 1.00 0.00 C ATOM 1813 OE1 GLU A 110 5.046 13.264 6.820 1.00 0.00 O ATOM 1814 OE2 GLU A 110 4.207 14.114 4.982 1.00 0.00 O ATOM 0 H GLU A 110 3.953 9.006 6.703 1.00 0.00 H new ATOM 0 HA GLU A 110 3.826 11.654 7.771 1.00 0.00 H new ATOM 0 HB2 GLU A 110 2.804 10.147 5.363 1.00 0.00 H new ATOM 0 HB3 GLU A 110 2.150 11.735 5.711 1.00 0.00 H new ATOM 0 HG2 GLU A 110 5.102 11.111 5.330 1.00 0.00 H new ATOM 0 HG3 GLU A 110 4.049 11.784 4.101 1.00 0.00 H new ATOM 1821 N ILE A 111 1.079 9.824 7.882 1.00 0.00 N ATOM 1822 CA ILE A 111 -0.273 9.770 8.445 1.00 0.00 C ATOM 1823 C ILE A 111 -0.257 9.784 9.977 1.00 0.00 C ATOM 1824 O ILE A 111 -1.115 10.397 10.612 1.00 0.00 O ATOM 1825 CB ILE A 111 -1.037 8.523 7.939 1.00 0.00 C ATOM 1826 CG1 ILE A 111 -1.149 8.555 6.411 1.00 0.00 C ATOM 1827 CG2 ILE A 111 -2.422 8.446 8.570 1.00 0.00 C ATOM 1828 CD1 ILE A 111 -1.777 7.313 5.818 1.00 0.00 C ATOM 0 H ILE A 111 1.338 9.004 7.333 1.00 0.00 H new ATOM 0 HA ILE A 111 -0.791 10.666 8.104 1.00 0.00 H new ATOM 0 HB ILE A 111 -0.478 7.634 8.232 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -1.738 9.424 6.117 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -0.154 8.686 5.986 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -2.942 7.562 8.200 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -2.325 8.383 9.654 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -2.991 9.338 8.308 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -1.822 7.410 4.733 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -1.177 6.441 6.080 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -2.785 7.191 6.213 1.00 0.00 H new ATOM 1840 N GLU A 112 0.729 9.123 10.566 1.00 0.00 N ATOM 1841 CA GLU A 112 0.834 9.020 12.011 1.00 0.00 C ATOM 1842 C GLU A 112 1.017 10.381 12.685 1.00 0.00 C ATOM 1843 O GLU A 112 0.642 10.552 13.845 1.00 0.00 O ATOM 1844 CB GLU A 112 1.990 8.092 12.374 1.00 0.00 C ATOM 1845 CG GLU A 112 1.592 6.629 12.488 1.00 0.00 C ATOM 1846 CD GLU A 112 0.708 6.358 13.687 1.00 0.00 C ATOM 1847 OE1 GLU A 112 -0.517 6.582 13.597 1.00 0.00 O ATOM 1848 OE2 GLU A 112 1.234 5.921 14.734 1.00 0.00 O ATOM 0 H GLU A 112 1.474 8.646 10.058 1.00 0.00 H new ATOM 0 HA GLU A 112 -0.105 8.608 12.380 1.00 0.00 H new ATOM 0 HB2 GLU A 112 2.771 8.188 11.620 1.00 0.00 H new ATOM 0 HB3 GLU A 112 2.420 8.417 13.322 1.00 0.00 H new ATOM 0 HG2 GLU A 112 1.070 6.327 11.580 1.00 0.00 H new ATOM 0 HG3 GLU A 112 2.491 6.016 12.558 1.00 0.00 H new