USER MOD reduce.3.24.130724 H: found=0, std=0, add=856, rem=0, adj=15 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 38 GLN : amide:sc= 1.09 K(o=2.3,f=-11!) USER MOD Set 1.2: A 42 LYS NZ :NH3+ -139:sc= 1.22 (180deg=0) USER MOD Set 2.1: A 37 ASN : amide:sc= 1.44 K(o=-2.4,f=-9.2) USER MOD Set 2.2: A 77 HIS : no HE2:sc= -0.886 K(o=-2.4,f=-7.4) USER MOD Set 2.3: A 81 HIS : no HE2:sc= 1.5 K(o=-2.4,f=-17!) USER MOD Set 2.4: A 100 HIS : +bothHN:sc= -4.47! C(o=-2.4!,f=-17!) USER MOD Set 3.1: A 13 GLN : amide:sc= 0.183 X(o=0.38,f=0.066) USER MOD Set 3.2: A 46 GLN : amide:sc= 0.197 X(o=0.38,f=0.066) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN :FLIP amide:sc= -0.25 F(o=-0.92,f=-0.25) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -169:sc= -0.0119 (180deg=-0.131) USER MOD Single : A 23 LYS NZ :NH3+ -158:sc= 1.93 (180deg=0.513) USER MOD Single : A 24 LYS NZ :NH3+ -167:sc= 1.23 (180deg=1.15) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0.0488 K(o=0.049,f=-2.5!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -158:sc= 1.04 (180deg=0.478) USER MOD Single : A 51 TYR OH : rot -158:sc= 1.25 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 0.986 K(o=0.99,f=-7.2!) USER MOD Single : A 63 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0561) USER MOD Single : A 65 GLN : amide:sc= -0.56 X(o=-0.56,f=-0.18) USER MOD Single : A 69 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00598) USER MOD Single : A 76 LYS NZ :NH3+ 166:sc= -2.9! (180deg=-4.33!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 GLN : amide:sc= 0.243 X(o=0.24,f=0) USER MOD Single : A 102 GLN : amide:sc= -0.0977 K(o=-0.098,f=-2.8!) USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 107 HIS : no HE2:sc= 0.671 K(o=0.67,f=-5.8!) USER MOD ----------------------------------------------------------------- ATOM 90 N GLU A 6 -8.175 4.495 11.893 1.00 0.00 N ATOM 91 CA GLU A 6 -8.846 3.467 11.106 1.00 0.00 C ATOM 92 C GLU A 6 -8.197 3.341 9.728 1.00 0.00 C ATOM 93 O GLU A 6 -8.053 2.241 9.192 1.00 0.00 O ATOM 94 CB GLU A 6 -10.334 3.796 10.963 1.00 0.00 C ATOM 95 CG GLU A 6 -11.119 2.779 10.155 1.00 0.00 C ATOM 96 CD GLU A 6 -12.585 3.134 10.051 1.00 0.00 C ATOM 97 OE1 GLU A 6 -12.961 3.863 9.110 1.00 0.00 O ATOM 98 OE2 GLU A 6 -13.370 2.686 10.909 1.00 0.00 O ATOM 0 HA GLU A 6 -8.747 2.513 11.624 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -10.775 3.873 11.957 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -10.435 4.774 10.493 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -10.693 2.707 9.154 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -11.018 1.796 10.616 1.00 0.00 H new ATOM 105 N LEU A 7 -7.793 4.477 9.174 1.00 0.00 N ATOM 106 CA LEU A 7 -7.134 4.512 7.875 1.00 0.00 C ATOM 107 C LEU A 7 -5.744 3.887 7.967 1.00 0.00 C ATOM 108 O LEU A 7 -5.296 3.206 7.047 1.00 0.00 O ATOM 109 CB LEU A 7 -7.033 5.955 7.371 1.00 0.00 C ATOM 110 CG LEU A 7 -6.469 6.114 5.958 1.00 0.00 C ATOM 111 CD1 LEU A 7 -7.386 5.456 4.939 1.00 0.00 C ATOM 112 CD2 LEU A 7 -6.274 7.587 5.629 1.00 0.00 C ATOM 0 H LEU A 7 -7.911 5.392 9.608 1.00 0.00 H new ATOM 0 HA LEU A 7 -7.729 3.934 7.168 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.026 6.404 7.401 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.407 6.521 8.061 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.499 5.618 5.915 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.968 5.580 3.940 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -7.478 4.394 5.165 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.370 5.922 4.981 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -5.872 7.684 4.620 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.232 8.103 5.689 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.578 8.030 6.341 1.00 0.00 H new ATOM 124 N LEU A 8 -5.074 4.124 9.093 1.00 0.00 N ATOM 125 CA LEU A 8 -3.723 3.614 9.334 1.00 0.00 C ATOM 126 C LEU A 8 -3.664 2.100 9.170 1.00 0.00 C ATOM 127 O LEU A 8 -2.654 1.547 8.728 1.00 0.00 O ATOM 128 CB LEU A 8 -3.287 3.984 10.749 1.00 0.00 C ATOM 129 CG LEU A 8 -1.810 3.739 11.067 1.00 0.00 C ATOM 130 CD1 LEU A 8 -0.918 4.530 10.126 1.00 0.00 C ATOM 131 CD2 LEU A 8 -1.514 4.103 12.513 1.00 0.00 C ATOM 0 H LEU A 8 -5.451 4.675 9.865 1.00 0.00 H new ATOM 0 HA LEU A 8 -3.053 4.064 8.601 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.506 5.039 10.914 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -3.892 3.418 11.457 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.599 2.679 10.924 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.127 4.341 10.370 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.112 4.224 9.098 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.129 5.594 10.233 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.460 3.924 12.725 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.743 5.156 12.677 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.126 3.491 13.175 1.00 0.00 H new ATOM 143 N LYS A 9 -4.750 1.436 9.544 1.00 0.00 N ATOM 144 CA LYS A 9 -4.852 -0.017 9.400 1.00 0.00 C ATOM 145 C LYS A 9 -4.653 -0.455 7.950 1.00 0.00 C ATOM 146 O LYS A 9 -4.060 -1.499 7.696 1.00 0.00 O ATOM 147 CB LYS A 9 -6.202 -0.541 9.896 1.00 0.00 C ATOM 148 CG LYS A 9 -6.297 -0.712 11.406 1.00 0.00 C ATOM 149 CD LYS A 9 -7.193 -1.896 11.749 1.00 0.00 C ATOM 150 CE LYS A 9 -7.350 -2.102 13.248 1.00 0.00 C ATOM 151 NZ LYS A 9 -8.303 -1.135 13.852 1.00 0.00 N ATOM 0 H LYS A 9 -5.575 1.877 9.950 1.00 0.00 H new ATOM 0 HA LYS A 9 -4.057 -0.441 10.014 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -6.985 0.144 9.571 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -6.401 -1.502 9.421 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -5.303 -0.867 11.825 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -6.695 0.197 11.857 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -8.176 -1.743 11.303 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -6.778 -2.800 11.304 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -7.696 -3.118 13.439 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -6.378 -2.001 13.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -8.378 -1.313 14.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -7.961 -0.166 13.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -9.238 -1.248 13.411 1.00 0.00 H new ATOM 165 N ALA A 10 -5.139 0.346 7.006 1.00 0.00 N ATOM 166 CA ALA A 10 -5.051 -0.003 5.589 1.00 0.00 C ATOM 167 C ALA A 10 -3.599 -0.086 5.138 1.00 0.00 C ATOM 168 O ALA A 10 -3.199 -1.040 4.466 1.00 0.00 O ATOM 169 CB ALA A 10 -5.810 1.003 4.738 1.00 0.00 C ATOM 0 H ALA A 10 -5.596 1.238 7.194 1.00 0.00 H new ATOM 0 HA ALA A 10 -5.508 -0.984 5.458 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.731 0.724 3.687 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.859 1.011 5.033 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.385 1.996 4.882 1.00 0.00 H new ATOM 175 N GLU A 11 -2.810 0.905 5.534 1.00 0.00 N ATOM 176 CA GLU A 11 -1.392 0.934 5.199 1.00 0.00 C ATOM 177 C GLU A 11 -0.666 -0.219 5.880 1.00 0.00 C ATOM 178 O GLU A 11 0.154 -0.905 5.267 1.00 0.00 O ATOM 179 CB GLU A 11 -0.766 2.266 5.624 1.00 0.00 C ATOM 180 CG GLU A 11 -1.450 3.491 5.036 1.00 0.00 C ATOM 181 CD GLU A 11 -1.428 3.510 3.519 1.00 0.00 C ATOM 182 OE1 GLU A 11 -0.337 3.705 2.927 1.00 0.00 O ATOM 183 OE2 GLU A 11 -2.492 3.351 2.904 1.00 0.00 O ATOM 0 H GLU A 11 -3.129 1.700 6.088 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.293 0.829 4.119 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -0.791 2.336 6.711 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.283 2.272 5.329 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.484 3.523 5.380 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.961 4.389 5.412 1.00 0.00 H new ATOM 190 N GLN A 12 -0.993 -0.443 7.149 1.00 0.00 N ATOM 191 CA GLN A 12 -0.351 -1.490 7.938 1.00 0.00 C ATOM 192 C GLN A 12 -0.720 -2.880 7.430 1.00 0.00 C ATOM 193 O GLN A 12 0.062 -3.823 7.562 1.00 0.00 O ATOM 194 CB GLN A 12 -0.728 -1.359 9.413 1.00 0.00 C ATOM 195 CG GLN A 12 -0.209 -0.086 10.067 1.00 0.00 C ATOM 196 CD GLN A 12 -0.496 -0.039 11.554 1.00 0.00 C ATOM 197 OE1 GLN A 12 -1.654 0.488 11.918 1.00 0.00 O flip ATOM 198 NE2 GLN A 12 0.313 -0.476 12.373 1.00 0.00 N flip ATOM 0 H GLN A 12 -1.702 0.089 7.655 1.00 0.00 H new ATOM 0 HA GLN A 12 0.726 -1.364 7.832 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -1.814 -1.388 9.505 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.339 -2.220 9.956 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.866 -0.011 9.905 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -0.665 0.778 9.585 1.00 0.00 H new ATOM 0 HE21 GLN A 12 1.196 -0.875 12.055 1.00 0.00 H new ATOM 0 HE22 GLN A 12 0.100 -0.439 13.370 1.00 0.00 H new ATOM 207 N GLN A 13 -1.910 -3.002 6.850 1.00 0.00 N ATOM 208 CA GLN A 13 -2.380 -4.277 6.320 1.00 0.00 C ATOM 209 C GLN A 13 -1.449 -4.768 5.221 1.00 0.00 C ATOM 210 O GLN A 13 -1.084 -5.945 5.174 1.00 0.00 O ATOM 211 CB GLN A 13 -3.797 -4.135 5.761 1.00 0.00 C ATOM 212 CG GLN A 13 -4.415 -5.453 5.322 1.00 0.00 C ATOM 213 CD GLN A 13 -5.699 -5.264 4.538 1.00 0.00 C ATOM 214 OE1 GLN A 13 -6.792 -5.208 5.105 1.00 0.00 O ATOM 215 NE2 GLN A 13 -5.584 -5.175 3.223 1.00 0.00 N ATOM 0 H GLN A 13 -2.568 -2.231 6.735 1.00 0.00 H new ATOM 0 HA GLN A 13 -2.389 -5.001 7.134 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -4.434 -3.680 6.520 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -3.776 -3.453 4.911 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -3.698 -6.000 4.710 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -4.617 -6.065 6.201 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -4.663 -5.225 2.787 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -6.416 -5.056 2.645 1.00 0.00 H new ATOM 224 N GLY A 14 -1.061 -3.853 4.348 1.00 0.00 N ATOM 225 CA GLY A 14 -0.156 -4.188 3.273 1.00 0.00 C ATOM 226 C GLY A 14 1.250 -4.421 3.776 1.00 0.00 C ATOM 227 O GLY A 14 1.923 -5.341 3.329 1.00 0.00 O ATOM 0 H GLY A 14 -1.360 -2.878 4.366 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.513 -5.083 2.763 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.151 -3.383 2.538 1.00 0.00 H new ATOM 231 N ILE A 15 1.678 -3.601 4.731 1.00 0.00 N ATOM 232 CA ILE A 15 3.007 -3.729 5.325 1.00 0.00 C ATOM 233 C ILE A 15 3.188 -5.112 5.945 1.00 0.00 C ATOM 234 O ILE A 15 4.237 -5.743 5.790 1.00 0.00 O ATOM 235 CB ILE A 15 3.240 -2.643 6.401 1.00 0.00 C ATOM 236 CG1 ILE A 15 3.264 -1.255 5.755 1.00 0.00 C ATOM 237 CG2 ILE A 15 4.533 -2.901 7.166 1.00 0.00 C ATOM 238 CD1 ILE A 15 3.454 -0.121 6.741 1.00 0.00 C ATOM 0 H ILE A 15 1.121 -2.836 5.113 1.00 0.00 H new ATOM 0 HA ILE A 15 3.740 -3.596 4.529 1.00 0.00 H new ATOM 0 HB ILE A 15 2.416 -2.683 7.113 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.067 -1.222 5.019 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.330 -1.101 5.215 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.673 -2.123 7.916 1.00 0.00 H new ATOM 0 HG22 ILE A 15 4.478 -3.873 7.657 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.374 -2.892 6.473 1.00 0.00 H new ATOM 0 HD11 ILE A 15 3.460 0.829 6.206 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.637 -0.126 7.463 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.402 -0.249 7.264 1.00 0.00 H new ATOM 250 N LYS A 16 2.151 -5.578 6.633 1.00 0.00 N ATOM 251 CA LYS A 16 2.156 -6.903 7.240 1.00 0.00 C ATOM 252 C LYS A 16 2.362 -7.967 6.168 1.00 0.00 C ATOM 253 O LYS A 16 3.176 -8.877 6.323 1.00 0.00 O ATOM 254 CB LYS A 16 0.835 -7.138 7.973 1.00 0.00 C ATOM 255 CG LYS A 16 0.847 -8.330 8.915 1.00 0.00 C ATOM 256 CD LYS A 16 -0.412 -8.363 9.767 1.00 0.00 C ATOM 257 CE LYS A 16 -0.398 -9.532 10.737 1.00 0.00 C ATOM 258 NZ LYS A 16 -1.522 -9.460 11.707 1.00 0.00 N ATOM 0 H LYS A 16 1.290 -5.052 6.785 1.00 0.00 H new ATOM 0 HA LYS A 16 2.975 -6.967 7.956 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.584 -6.243 8.542 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.044 -7.280 7.236 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.925 -9.252 8.339 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.725 -8.281 9.559 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.501 -7.429 10.322 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.287 -8.435 9.122 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.458 -10.467 10.180 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.548 -9.544 11.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.477 -10.275 12.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.450 -8.580 12.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.426 -9.474 11.193 1.00 0.00 H new ATOM 272 N ILE A 17 1.619 -7.826 5.079 1.00 0.00 N ATOM 273 CA ILE A 17 1.740 -8.720 3.933 1.00 0.00 C ATOM 274 C ILE A 17 3.138 -8.637 3.321 1.00 0.00 C ATOM 275 O ILE A 17 3.766 -9.657 3.065 1.00 0.00 O ATOM 276 CB ILE A 17 0.690 -8.378 2.847 1.00 0.00 C ATOM 277 CG1 ILE A 17 -0.725 -8.582 3.397 1.00 0.00 C ATOM 278 CG2 ILE A 17 0.904 -9.228 1.597 1.00 0.00 C ATOM 279 CD1 ILE A 17 -1.817 -8.148 2.443 1.00 0.00 C ATOM 0 H ILE A 17 0.919 -7.093 4.964 1.00 0.00 H new ATOM 0 HA ILE A 17 1.564 -9.734 4.293 1.00 0.00 H new ATOM 0 HB ILE A 17 0.811 -7.331 2.569 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.863 -9.636 3.638 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.827 -8.026 4.329 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.155 -8.970 0.849 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.899 -9.039 1.194 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.811 -10.283 1.854 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.791 -8.322 2.901 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.705 -7.087 2.221 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -1.742 -8.722 1.519 1.00 0.00 H new ATOM 291 N LEU A 18 3.619 -7.418 3.111 1.00 0.00 N ATOM 292 CA LEU A 18 4.912 -7.195 2.472 1.00 0.00 C ATOM 293 C LEU A 18 6.047 -7.868 3.241 1.00 0.00 C ATOM 294 O LEU A 18 6.925 -8.496 2.645 1.00 0.00 O ATOM 295 CB LEU A 18 5.178 -5.695 2.327 1.00 0.00 C ATOM 296 CG LEU A 18 4.194 -4.950 1.421 1.00 0.00 C ATOM 297 CD1 LEU A 18 4.469 -3.456 1.441 1.00 0.00 C ATOM 298 CD2 LEU A 18 4.259 -5.486 -0.003 1.00 0.00 C ATOM 0 H LEU A 18 3.130 -6.563 3.376 1.00 0.00 H new ATOM 0 HA LEU A 18 4.876 -7.648 1.481 1.00 0.00 H new ATOM 0 HB2 LEU A 18 5.154 -5.239 3.317 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.186 -5.556 1.936 1.00 0.00 H new ATOM 0 HG LEU A 18 3.188 -5.118 1.804 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.758 -2.946 0.790 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.363 -3.080 2.459 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.483 -3.268 1.088 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.552 -4.942 -0.629 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.267 -5.354 -0.396 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.005 -6.546 -0.005 1.00 0.00 H new ATOM 310 N LYS A 19 6.021 -7.754 4.563 1.00 0.00 N ATOM 311 CA LYS A 19 7.016 -8.389 5.399 1.00 0.00 C ATOM 312 C LYS A 19 6.895 -9.908 5.337 1.00 0.00 C ATOM 313 O LYS A 19 7.894 -10.627 5.396 1.00 0.00 O ATOM 314 CB LYS A 19 6.880 -7.895 6.827 1.00 0.00 C ATOM 315 CG LYS A 19 7.385 -6.474 7.017 1.00 0.00 C ATOM 316 CD LYS A 19 8.821 -6.309 6.534 1.00 0.00 C ATOM 317 CE LYS A 19 9.804 -7.121 7.367 1.00 0.00 C ATOM 318 NZ LYS A 19 9.873 -6.649 8.773 1.00 0.00 N ATOM 0 H LYS A 19 5.316 -7.224 5.075 1.00 0.00 H new ATOM 0 HA LYS A 19 8.005 -8.122 5.027 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.832 -7.945 7.124 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.431 -8.562 7.490 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.739 -5.784 6.475 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.324 -6.206 8.072 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.890 -6.618 5.491 1.00 0.00 H new ATOM 0 HD3 LYS A 19 9.097 -5.255 6.574 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.510 -8.170 7.352 1.00 0.00 H new ATOM 0 HE3 LYS A 19 10.795 -7.061 6.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.679 -7.100 9.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.995 -5.616 8.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.993 -6.900 9.267 1.00 0.00 H new ATOM 332 N GLU A 20 5.668 -10.390 5.212 1.00 0.00 N ATOM 333 CA GLU A 20 5.410 -11.804 5.066 1.00 0.00 C ATOM 334 C GLU A 20 5.913 -12.316 3.716 1.00 0.00 C ATOM 335 O GLU A 20 6.498 -13.397 3.627 1.00 0.00 O ATOM 336 CB GLU A 20 3.912 -12.043 5.218 1.00 0.00 C ATOM 337 CG GLU A 20 3.560 -12.913 6.408 1.00 0.00 C ATOM 338 CD GLU A 20 4.117 -14.318 6.297 1.00 0.00 C ATOM 339 OE1 GLU A 20 5.326 -14.508 6.562 1.00 0.00 O ATOM 340 OE2 GLU A 20 3.350 -15.237 5.944 1.00 0.00 O ATOM 0 H GLU A 20 4.829 -9.810 5.210 1.00 0.00 H new ATOM 0 HA GLU A 20 5.947 -12.355 5.838 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.406 -11.082 5.317 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.532 -12.511 4.310 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.941 -12.448 7.317 1.00 0.00 H new ATOM 0 HG3 GLU A 20 2.476 -12.964 6.506 1.00 0.00 H new ATOM 347 N VAL A 21 5.699 -11.518 2.676 1.00 0.00 N ATOM 348 CA VAL A 21 6.179 -11.845 1.336 1.00 0.00 C ATOM 349 C VAL A 21 7.700 -11.957 1.318 1.00 0.00 C ATOM 350 O VAL A 21 8.255 -12.838 0.668 1.00 0.00 O ATOM 351 CB VAL A 21 5.734 -10.783 0.303 1.00 0.00 C ATOM 352 CG1 VAL A 21 6.309 -11.086 -1.072 1.00 0.00 C ATOM 353 CG2 VAL A 21 4.220 -10.700 0.229 1.00 0.00 C ATOM 0 H VAL A 21 5.193 -10.634 2.735 1.00 0.00 H new ATOM 0 HA VAL A 21 5.742 -12.805 1.063 1.00 0.00 H new ATOM 0 HB VAL A 21 6.119 -9.818 0.634 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.981 -10.324 -1.779 1.00 0.00 H new ATOM 0 HG12 VAL A 21 7.398 -11.087 -1.019 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.961 -12.064 -1.404 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.932 -9.946 -0.504 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.817 -11.668 -0.068 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.822 -10.426 1.206 1.00 0.00 H new ATOM 363 N LEU A 22 8.365 -11.063 2.042 1.00 0.00 N ATOM 364 CA LEU A 22 9.825 -11.061 2.115 1.00 0.00 C ATOM 365 C LEU A 22 10.341 -12.391 2.663 1.00 0.00 C ATOM 366 O LEU A 22 11.362 -12.912 2.207 1.00 0.00 O ATOM 367 CB LEU A 22 10.304 -9.905 2.999 1.00 0.00 C ATOM 368 CG LEU A 22 11.818 -9.671 3.011 1.00 0.00 C ATOM 369 CD1 LEU A 22 12.320 -9.313 1.620 1.00 0.00 C ATOM 370 CD2 LEU A 22 12.182 -8.579 4.007 1.00 0.00 C ATOM 0 H LEU A 22 7.916 -10.328 2.589 1.00 0.00 H new ATOM 0 HA LEU A 22 10.221 -10.928 1.108 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.814 -8.989 2.667 1.00 0.00 H new ATOM 0 HB3 LEU A 22 9.974 -10.091 4.021 1.00 0.00 H new ATOM 0 HG LEU A 22 12.303 -10.597 3.321 1.00 0.00 H new ATOM 0 HD11 LEU A 22 13.397 -9.151 1.652 1.00 0.00 H new ATOM 0 HD12 LEU A 22 12.096 -10.128 0.931 1.00 0.00 H new ATOM 0 HD13 LEU A 22 11.827 -8.403 1.278 1.00 0.00 H new ATOM 0 HD21 LEU A 22 13.261 -8.427 4.002 1.00 0.00 H new ATOM 0 HD22 LEU A 22 11.683 -7.651 3.728 1.00 0.00 H new ATOM 0 HD23 LEU A 22 11.863 -8.876 5.006 1.00 0.00 H new ATOM 382 N LYS A 23 9.622 -12.937 3.636 1.00 0.00 N ATOM 383 CA LYS A 23 9.951 -14.243 4.201 1.00 0.00 C ATOM 384 C LYS A 23 9.721 -15.327 3.162 1.00 0.00 C ATOM 385 O LYS A 23 10.587 -16.162 2.887 1.00 0.00 O ATOM 386 CB LYS A 23 9.062 -14.528 5.409 1.00 0.00 C ATOM 387 CG LYS A 23 9.564 -15.661 6.290 1.00 0.00 C ATOM 388 CD LYS A 23 8.617 -15.945 7.452 1.00 0.00 C ATOM 389 CE LYS A 23 7.604 -17.039 7.129 1.00 0.00 C ATOM 390 NZ LYS A 23 6.714 -16.684 5.992 1.00 0.00 N ATOM 0 H LYS A 23 8.803 -12.494 4.053 1.00 0.00 H new ATOM 0 HA LYS A 23 10.997 -14.236 4.506 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.981 -13.622 6.010 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.058 -14.770 5.060 1.00 0.00 H new ATOM 0 HG2 LYS A 23 9.681 -16.563 5.689 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.550 -15.408 6.680 1.00 0.00 H new ATOM 0 HD2 LYS A 23 9.198 -16.240 8.326 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.087 -15.030 7.716 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.135 -17.961 6.894 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.996 -17.237 8.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.842 -17.248 6.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.476 -15.673 6.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.201 -16.883 5.095 1.00 0.00 H new ATOM 404 N LYS A 24 8.535 -15.275 2.577 1.00 0.00 N ATOM 405 CA LYS A 24 8.099 -16.256 1.588 1.00 0.00 C ATOM 406 C LYS A 24 8.989 -16.247 0.346 1.00 0.00 C ATOM 407 O LYS A 24 9.094 -17.252 -0.357 1.00 0.00 O ATOM 408 CB LYS A 24 6.642 -15.992 1.204 1.00 0.00 C ATOM 409 CG LYS A 24 5.660 -16.262 2.335 1.00 0.00 C ATOM 410 CD LYS A 24 4.241 -15.903 1.933 1.00 0.00 C ATOM 411 CE LYS A 24 3.243 -16.205 3.038 1.00 0.00 C ATOM 412 NZ LYS A 24 3.160 -17.656 3.338 1.00 0.00 N ATOM 0 H LYS A 24 7.844 -14.551 2.773 1.00 0.00 H new ATOM 0 HA LYS A 24 8.182 -17.246 2.037 1.00 0.00 H new ATOM 0 HB2 LYS A 24 6.540 -14.955 0.885 1.00 0.00 H new ATOM 0 HB3 LYS A 24 6.381 -16.616 0.349 1.00 0.00 H new ATOM 0 HG2 LYS A 24 5.705 -17.314 2.615 1.00 0.00 H new ATOM 0 HG3 LYS A 24 5.948 -15.686 3.214 1.00 0.00 H new ATOM 0 HD2 LYS A 24 4.193 -14.844 1.680 1.00 0.00 H new ATOM 0 HD3 LYS A 24 3.967 -16.458 1.035 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.529 -15.665 3.941 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.259 -15.839 2.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.325 -17.841 3.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 3.080 -18.190 2.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.017 -17.955 3.846 1.00 0.00 H new ATOM 426 N ALA A 25 9.633 -15.116 0.088 1.00 0.00 N ATOM 427 CA ALA A 25 10.559 -14.998 -1.029 1.00 0.00 C ATOM 428 C ALA A 25 11.755 -15.923 -0.838 1.00 0.00 C ATOM 429 O ALA A 25 12.237 -16.537 -1.793 1.00 0.00 O ATOM 430 CB ALA A 25 11.018 -13.557 -1.187 1.00 0.00 C ATOM 0 H ALA A 25 9.530 -14.265 0.640 1.00 0.00 H new ATOM 0 HA ALA A 25 10.039 -15.298 -1.939 1.00 0.00 H new ATOM 0 HB1 ALA A 25 11.710 -13.485 -2.026 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.154 -12.918 -1.373 1.00 0.00 H new ATOM 0 HB3 ALA A 25 11.519 -13.233 -0.275 1.00 0.00 H new ATOM 436 N LYS A 26 12.225 -16.033 0.399 1.00 0.00 N ATOM 437 CA LYS A 26 13.341 -16.915 0.708 1.00 0.00 C ATOM 438 C LYS A 26 12.857 -18.362 0.683 1.00 0.00 C ATOM 439 O LYS A 26 13.566 -19.262 0.227 1.00 0.00 O ATOM 440 CB LYS A 26 13.939 -16.561 2.080 1.00 0.00 C ATOM 441 CG LYS A 26 15.425 -16.893 2.223 1.00 0.00 C ATOM 442 CD LYS A 26 15.699 -18.384 2.113 1.00 0.00 C ATOM 443 CE LYS A 26 17.186 -18.688 2.154 1.00 0.00 C ATOM 444 NZ LYS A 26 17.447 -20.133 1.935 1.00 0.00 N ATOM 0 H LYS A 26 11.852 -15.524 1.200 1.00 0.00 H new ATOM 0 HA LYS A 26 14.124 -16.789 -0.040 1.00 0.00 H new ATOM 0 HB2 LYS A 26 13.798 -15.495 2.261 1.00 0.00 H new ATOM 0 HB3 LYS A 26 13.384 -17.092 2.853 1.00 0.00 H new ATOM 0 HG2 LYS A 26 15.988 -16.365 1.453 1.00 0.00 H new ATOM 0 HG3 LYS A 26 15.784 -16.530 3.186 1.00 0.00 H new ATOM 0 HD2 LYS A 26 15.198 -18.907 2.928 1.00 0.00 H new ATOM 0 HD3 LYS A 26 15.276 -18.764 1.183 1.00 0.00 H new ATOM 0 HE2 LYS A 26 17.700 -18.104 1.391 1.00 0.00 H new ATOM 0 HE3 LYS A 26 17.595 -18.384 3.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 18.471 -20.310 1.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 16.975 -20.687 2.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 17.077 -20.415 1.005 1.00 0.00 H new ATOM 458 N GLU A 27 11.640 -18.576 1.167 1.00 0.00 N ATOM 459 CA GLU A 27 11.018 -19.895 1.130 1.00 0.00 C ATOM 460 C GLU A 27 10.946 -20.393 -0.309 1.00 0.00 C ATOM 461 O GLU A 27 11.267 -21.547 -0.597 1.00 0.00 O ATOM 462 CB GLU A 27 9.629 -19.833 1.767 1.00 0.00 C ATOM 463 CG GLU A 27 9.677 -19.464 3.243 1.00 0.00 C ATOM 464 CD GLU A 27 8.307 -19.274 3.858 1.00 0.00 C ATOM 465 OE1 GLU A 27 7.669 -20.281 4.231 1.00 0.00 O ATOM 466 OE2 GLU A 27 7.864 -18.116 3.990 1.00 0.00 O ATOM 0 H GLU A 27 11.062 -17.851 1.591 1.00 0.00 H new ATOM 0 HA GLU A 27 11.621 -20.600 1.702 1.00 0.00 H new ATOM 0 HB2 GLU A 27 9.021 -19.102 1.233 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.138 -20.800 1.654 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.207 -20.245 3.788 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.252 -18.545 3.362 1.00 0.00 H new ATOM 473 N GLY A 28 10.545 -19.504 -1.211 1.00 0.00 N ATOM 474 CA GLY A 28 10.635 -19.786 -2.629 1.00 0.00 C ATOM 475 C GLY A 28 9.588 -20.760 -3.123 1.00 0.00 C ATOM 476 O GLY A 28 9.924 -21.831 -3.629 1.00 0.00 O ATOM 0 H GLY A 28 10.157 -18.589 -0.982 1.00 0.00 H new ATOM 0 HA2 GLY A 28 10.540 -18.852 -3.183 1.00 0.00 H new ATOM 0 HA3 GLY A 28 11.624 -20.187 -2.849 1.00 0.00 H new ATOM 480 N ASP A 29 8.323 -20.400 -2.967 1.00 0.00 N ATOM 481 CA ASP A 29 7.239 -21.175 -3.557 1.00 0.00 C ATOM 482 C ASP A 29 6.593 -20.372 -4.674 1.00 0.00 C ATOM 483 O ASP A 29 6.144 -19.247 -4.456 1.00 0.00 O ATOM 484 CB ASP A 29 6.197 -21.558 -2.508 1.00 0.00 C ATOM 485 CG ASP A 29 5.113 -22.457 -3.076 1.00 0.00 C ATOM 486 OD1 ASP A 29 4.202 -21.947 -3.759 1.00 0.00 O ATOM 487 OD2 ASP A 29 5.169 -23.683 -2.845 1.00 0.00 O ATOM 0 H ASP A 29 8.021 -19.581 -2.440 1.00 0.00 H new ATOM 0 HA ASP A 29 7.653 -22.098 -3.964 1.00 0.00 H new ATOM 0 HB2 ASP A 29 6.689 -22.065 -1.678 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.742 -20.654 -2.104 1.00 0.00 H new ATOM 492 N GLU A 30 6.559 -20.949 -5.868 1.00 0.00 N ATOM 493 CA GLU A 30 6.064 -20.250 -7.052 1.00 0.00 C ATOM 494 C GLU A 30 4.603 -19.831 -6.890 1.00 0.00 C ATOM 495 O GLU A 30 4.255 -18.668 -7.098 1.00 0.00 O ATOM 496 CB GLU A 30 6.215 -21.120 -8.302 1.00 0.00 C ATOM 497 CG GLU A 30 7.654 -21.314 -8.762 1.00 0.00 C ATOM 498 CD GLU A 30 8.469 -22.195 -7.837 1.00 0.00 C ATOM 499 OE1 GLU A 30 8.102 -23.378 -7.662 1.00 0.00 O ATOM 500 OE2 GLU A 30 9.494 -21.718 -7.304 1.00 0.00 O ATOM 0 H GLU A 30 6.870 -21.904 -6.045 1.00 0.00 H new ATOM 0 HA GLU A 30 6.668 -19.350 -7.168 1.00 0.00 H new ATOM 0 HB2 GLU A 30 5.774 -22.097 -8.105 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.644 -20.670 -9.114 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.652 -21.752 -9.760 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.136 -20.340 -8.842 1.00 0.00 H new ATOM 507 N GLN A 31 3.758 -20.784 -6.512 1.00 0.00 N ATOM 508 CA GLN A 31 2.332 -20.526 -6.344 1.00 0.00 C ATOM 509 C GLN A 31 2.093 -19.502 -5.240 1.00 0.00 C ATOM 510 O GLN A 31 1.244 -18.616 -5.374 1.00 0.00 O ATOM 511 CB GLN A 31 1.577 -21.824 -6.034 1.00 0.00 C ATOM 512 CG GLN A 31 1.230 -22.651 -7.267 1.00 0.00 C ATOM 513 CD GLN A 31 2.447 -23.144 -8.029 1.00 0.00 C ATOM 514 OE1 GLN A 31 3.503 -23.410 -7.450 1.00 0.00 O ATOM 515 NE2 GLN A 31 2.304 -23.264 -9.339 1.00 0.00 N ATOM 0 H GLN A 31 4.037 -21.745 -6.316 1.00 0.00 H new ATOM 0 HA GLN A 31 1.953 -20.119 -7.281 1.00 0.00 H new ATOM 0 HB2 GLN A 31 2.181 -22.431 -5.360 1.00 0.00 H new ATOM 0 HB3 GLN A 31 0.657 -21.579 -5.503 1.00 0.00 H new ATOM 0 HG2 GLN A 31 0.630 -23.509 -6.962 1.00 0.00 H new ATOM 0 HG3 GLN A 31 0.612 -22.051 -7.935 1.00 0.00 H new ATOM 0 HE21 GLN A 31 1.413 -23.033 -9.778 1.00 0.00 H new ATOM 0 HE22 GLN A 31 3.085 -23.587 -9.910 1.00 0.00 H new ATOM 524 N GLU A 32 2.848 -19.626 -4.158 1.00 0.00 N ATOM 525 CA GLU A 32 2.766 -18.685 -3.050 1.00 0.00 C ATOM 526 C GLU A 32 3.118 -17.275 -3.518 1.00 0.00 C ATOM 527 O GLU A 32 2.372 -16.331 -3.272 1.00 0.00 O ATOM 528 CB GLU A 32 3.710 -19.115 -1.926 1.00 0.00 C ATOM 529 CG GLU A 32 3.632 -18.245 -0.680 1.00 0.00 C ATOM 530 CD GLU A 32 2.322 -18.392 0.066 1.00 0.00 C ATOM 531 OE1 GLU A 32 1.299 -17.858 -0.404 1.00 0.00 O ATOM 532 OE2 GLU A 32 2.315 -19.030 1.142 1.00 0.00 O ATOM 0 H GLU A 32 3.528 -20.374 -4.023 1.00 0.00 H new ATOM 0 HA GLU A 32 1.743 -18.681 -2.674 1.00 0.00 H new ATOM 0 HB2 GLU A 32 3.484 -20.145 -1.651 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.733 -19.102 -2.301 1.00 0.00 H new ATOM 0 HG2 GLU A 32 4.454 -18.502 -0.012 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.767 -17.201 -0.964 1.00 0.00 H new ATOM 539 N LEU A 33 4.243 -17.146 -4.220 1.00 0.00 N ATOM 540 CA LEU A 33 4.712 -15.847 -4.701 1.00 0.00 C ATOM 541 C LEU A 33 3.700 -15.210 -5.648 1.00 0.00 C ATOM 542 O LEU A 33 3.461 -14.002 -5.595 1.00 0.00 O ATOM 543 CB LEU A 33 6.068 -15.988 -5.402 1.00 0.00 C ATOM 544 CG LEU A 33 7.235 -16.398 -4.496 1.00 0.00 C ATOM 545 CD1 LEU A 33 8.505 -16.577 -5.312 1.00 0.00 C ATOM 546 CD2 LEU A 33 7.449 -15.366 -3.399 1.00 0.00 C ATOM 0 H LEU A 33 4.849 -17.928 -4.469 1.00 0.00 H new ATOM 0 HA LEU A 33 4.827 -15.196 -3.834 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.972 -16.726 -6.199 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.314 -15.038 -5.876 1.00 0.00 H new ATOM 0 HG LEU A 33 6.988 -17.351 -4.028 1.00 0.00 H new ATOM 0 HD11 LEU A 33 9.323 -16.868 -4.653 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.350 -17.353 -6.062 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.754 -15.639 -5.807 1.00 0.00 H new ATOM 0 HD21 LEU A 33 8.281 -15.675 -2.766 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.674 -14.399 -3.848 1.00 0.00 H new ATOM 0 HD23 LEU A 33 6.545 -15.284 -2.795 1.00 0.00 H new ATOM 558 N ALA A 34 3.105 -16.027 -6.512 1.00 0.00 N ATOM 559 CA ALA A 34 2.095 -15.547 -7.442 1.00 0.00 C ATOM 560 C ALA A 34 0.881 -15.013 -6.686 1.00 0.00 C ATOM 561 O ALA A 34 0.346 -13.949 -7.011 1.00 0.00 O ATOM 562 CB ALA A 34 1.684 -16.658 -8.395 1.00 0.00 C ATOM 0 H ALA A 34 3.307 -17.024 -6.585 1.00 0.00 H new ATOM 0 HA ALA A 34 2.521 -14.731 -8.025 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.928 -16.284 -9.085 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.554 -16.995 -8.958 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.275 -17.493 -7.826 1.00 0.00 H new ATOM 568 N ARG A 35 0.467 -15.750 -5.662 1.00 0.00 N ATOM 569 CA ARG A 35 -0.660 -15.349 -4.828 1.00 0.00 C ATOM 570 C ARG A 35 -0.319 -14.084 -4.053 1.00 0.00 C ATOM 571 O ARG A 35 -1.155 -13.198 -3.888 1.00 0.00 O ATOM 572 CB ARG A 35 -1.026 -16.472 -3.858 1.00 0.00 C ATOM 573 CG ARG A 35 -2.250 -16.169 -3.004 1.00 0.00 C ATOM 574 CD ARG A 35 -2.700 -17.388 -2.213 1.00 0.00 C ATOM 575 NE ARG A 35 -1.634 -17.939 -1.380 1.00 0.00 N ATOM 576 CZ ARG A 35 -1.752 -19.061 -0.670 1.00 0.00 C ATOM 577 NH1 ARG A 35 -2.905 -19.722 -0.638 1.00 0.00 N ATOM 578 NH2 ARG A 35 -0.720 -19.511 0.023 1.00 0.00 N ATOM 0 H ARG A 35 0.898 -16.633 -5.388 1.00 0.00 H new ATOM 0 HA ARG A 35 -1.515 -15.147 -5.473 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -1.207 -17.385 -4.425 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.176 -16.666 -3.203 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -2.022 -15.354 -2.318 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -3.065 -15.829 -3.643 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -3.546 -17.116 -1.582 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -3.051 -18.155 -2.903 1.00 0.00 H new ATOM 0 HE ARG A 35 -0.748 -17.436 -1.339 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -3.708 -19.371 -1.159 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -2.986 -20.580 -0.092 1.00 0.00 H new ATOM 0 HH21 ARG A 35 0.163 -19.000 0.013 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -0.807 -20.369 0.567 1.00 0.00 H new ATOM 592 N LEU A 36 0.917 -14.016 -3.582 1.00 0.00 N ATOM 593 CA LEU A 36 1.400 -12.859 -2.833 1.00 0.00 C ATOM 594 C LEU A 36 1.289 -11.586 -3.655 1.00 0.00 C ATOM 595 O LEU A 36 0.802 -10.570 -3.163 1.00 0.00 O ATOM 596 CB LEU A 36 2.851 -13.060 -2.403 1.00 0.00 C ATOM 597 CG LEU A 36 3.078 -14.173 -1.388 1.00 0.00 C ATOM 598 CD1 LEU A 36 4.561 -14.313 -1.089 1.00 0.00 C ATOM 599 CD2 LEU A 36 2.291 -13.895 -0.116 1.00 0.00 C ATOM 0 H LEU A 36 1.611 -14.753 -3.705 1.00 0.00 H new ATOM 0 HA LEU A 36 0.773 -12.760 -1.947 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.450 -13.270 -3.289 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.221 -12.125 -1.982 1.00 0.00 H new ATOM 0 HG LEU A 36 2.723 -15.114 -1.808 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.712 -15.111 -0.362 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.096 -14.553 -2.008 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.940 -13.376 -0.682 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.462 -14.698 0.601 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.618 -12.949 0.315 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.228 -13.839 -0.351 1.00 0.00 H new ATOM 611 N ASN A 37 1.742 -11.646 -4.904 1.00 0.00 N ATOM 612 CA ASN A 37 1.682 -10.486 -5.790 1.00 0.00 C ATOM 613 C ASN A 37 0.242 -10.005 -5.921 1.00 0.00 C ATOM 614 O ASN A 37 -0.050 -8.820 -5.762 1.00 0.00 O ATOM 615 CB ASN A 37 2.233 -10.819 -7.180 1.00 0.00 C ATOM 616 CG ASN A 37 2.458 -9.574 -8.016 1.00 0.00 C ATOM 617 OD1 ASN A 37 2.882 -8.539 -7.503 1.00 0.00 O ATOM 618 ND2 ASN A 37 2.158 -9.653 -9.302 1.00 0.00 N ATOM 0 H ASN A 37 2.152 -12.480 -5.324 1.00 0.00 H new ATOM 0 HA ASN A 37 2.297 -9.700 -5.353 1.00 0.00 H new ATOM 0 HB2 ASN A 37 3.173 -11.361 -7.077 1.00 0.00 H new ATOM 0 HB3 ASN A 37 1.538 -11.481 -7.696 1.00 0.00 H new ATOM 0 HD21 ASN A 37 2.276 -8.838 -9.904 1.00 0.00 H new ATOM 0 HD22 ASN A 37 1.809 -10.529 -9.691 1.00 0.00 H new ATOM 625 N GLN A 38 -0.655 -10.950 -6.172 1.00 0.00 N ATOM 626 CA GLN A 38 -2.066 -10.660 -6.329 1.00 0.00 C ATOM 627 C GLN A 38 -2.667 -10.101 -5.041 1.00 0.00 C ATOM 628 O GLN A 38 -3.514 -9.205 -5.079 1.00 0.00 O ATOM 629 CB GLN A 38 -2.785 -11.939 -6.743 1.00 0.00 C ATOM 630 CG GLN A 38 -3.277 -11.921 -8.177 1.00 0.00 C ATOM 631 CD GLN A 38 -4.504 -11.051 -8.358 1.00 0.00 C ATOM 632 OE1 GLN A 38 -4.402 -9.850 -8.606 1.00 0.00 O ATOM 633 NE2 GLN A 38 -5.674 -11.657 -8.240 1.00 0.00 N ATOM 0 H GLN A 38 -0.420 -11.938 -6.272 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.189 -9.898 -7.099 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -2.110 -12.785 -6.610 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.634 -12.100 -6.078 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -2.480 -11.559 -8.827 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -3.508 -12.939 -8.492 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -5.713 -12.655 -8.034 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -6.537 -11.126 -8.355 1.00 0.00 H new ATOM 642 N GLU A 39 -2.218 -10.630 -3.908 1.00 0.00 N ATOM 643 CA GLU A 39 -2.677 -10.173 -2.604 1.00 0.00 C ATOM 644 C GLU A 39 -2.310 -8.705 -2.403 1.00 0.00 C ATOM 645 O GLU A 39 -3.121 -7.908 -1.927 1.00 0.00 O ATOM 646 CB GLU A 39 -2.044 -11.019 -1.497 1.00 0.00 C ATOM 647 CG GLU A 39 -2.650 -10.786 -0.123 1.00 0.00 C ATOM 648 CD GLU A 39 -4.064 -11.311 -0.016 1.00 0.00 C ATOM 649 OE1 GLU A 39 -4.233 -12.511 0.286 1.00 0.00 O ATOM 650 OE2 GLU A 39 -5.016 -10.534 -0.235 1.00 0.00 O ATOM 0 H GLU A 39 -1.530 -11.382 -3.868 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.761 -10.279 -2.559 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.147 -12.073 -1.755 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -0.976 -10.804 -1.454 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.029 -11.269 0.631 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -2.645 -9.718 0.096 1.00 0.00 H new ATOM 657 N ILE A 40 -1.085 -8.355 -2.789 1.00 0.00 N ATOM 658 CA ILE A 40 -0.605 -6.983 -2.679 1.00 0.00 C ATOM 659 C ILE A 40 -1.440 -6.053 -3.556 1.00 0.00 C ATOM 660 O ILE A 40 -1.854 -4.981 -3.114 1.00 0.00 O ATOM 661 CB ILE A 40 0.884 -6.867 -3.078 1.00 0.00 C ATOM 662 CG1 ILE A 40 1.741 -7.790 -2.207 1.00 0.00 C ATOM 663 CG2 ILE A 40 1.360 -5.422 -2.958 1.00 0.00 C ATOM 664 CD1 ILE A 40 3.182 -7.895 -2.662 1.00 0.00 C ATOM 0 H ILE A 40 -0.406 -9.007 -3.182 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.705 -6.687 -1.635 1.00 0.00 H new ATOM 0 HB ILE A 40 0.989 -7.176 -4.118 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.720 -7.427 -1.179 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.297 -8.786 -2.203 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.410 -5.360 -3.243 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.767 -4.788 -3.617 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.243 -5.085 -1.928 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.726 -8.566 -1.997 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.215 -8.287 -3.678 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.644 -6.908 -2.639 1.00 0.00 H new ATOM 676 N VAL A 41 -1.701 -6.481 -4.790 1.00 0.00 N ATOM 677 CA VAL A 41 -2.532 -5.705 -5.707 1.00 0.00 C ATOM 678 C VAL A 41 -3.921 -5.489 -5.114 1.00 0.00 C ATOM 679 O VAL A 41 -4.455 -4.381 -5.138 1.00 0.00 O ATOM 680 CB VAL A 41 -2.684 -6.395 -7.082 1.00 0.00 C ATOM 681 CG1 VAL A 41 -3.445 -5.504 -8.048 1.00 0.00 C ATOM 682 CG2 VAL A 41 -1.332 -6.763 -7.658 1.00 0.00 C ATOM 0 H VAL A 41 -1.350 -7.358 -5.176 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.029 -4.749 -5.852 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.253 -7.313 -6.935 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.541 -6.008 -9.010 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.437 -5.296 -7.647 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.904 -4.567 -8.182 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.468 -7.247 -8.625 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.733 -5.861 -7.784 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.821 -7.446 -6.979 1.00 0.00 H new ATOM 692 N LYS A 42 -4.492 -6.557 -4.570 1.00 0.00 N ATOM 693 CA LYS A 42 -5.813 -6.492 -3.959 1.00 0.00 C ATOM 694 C LYS A 42 -5.809 -5.590 -2.729 1.00 0.00 C ATOM 695 O LYS A 42 -6.782 -4.886 -2.470 1.00 0.00 O ATOM 696 CB LYS A 42 -6.306 -7.894 -3.586 1.00 0.00 C ATOM 697 CG LYS A 42 -7.305 -8.508 -4.570 1.00 0.00 C ATOM 698 CD LYS A 42 -6.698 -8.801 -5.941 1.00 0.00 C ATOM 699 CE LYS A 42 -6.710 -7.585 -6.860 1.00 0.00 C ATOM 700 NZ LYS A 42 -6.317 -7.939 -8.253 1.00 0.00 N ATOM 0 H LYS A 42 -4.059 -7.480 -4.540 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.496 -6.064 -4.692 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.444 -8.557 -3.504 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.769 -7.850 -2.600 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -7.698 -9.433 -4.149 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.149 -7.829 -4.691 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.672 -9.145 -5.814 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -7.251 -9.614 -6.413 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -7.706 -7.143 -6.865 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.028 -6.829 -6.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -5.694 -7.200 -8.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -5.814 -8.849 -8.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -7.169 -8.015 -8.845 1.00 0.00 H new ATOM 714 N ALA A 43 -4.708 -5.603 -1.983 1.00 0.00 N ATOM 715 CA ALA A 43 -4.590 -4.779 -0.784 1.00 0.00 C ATOM 716 C ALA A 43 -4.600 -3.300 -1.145 1.00 0.00 C ATOM 717 O ALA A 43 -5.326 -2.510 -0.539 1.00 0.00 O ATOM 718 CB ALA A 43 -3.324 -5.132 -0.016 1.00 0.00 C ATOM 0 H ALA A 43 -3.887 -6.173 -2.187 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.449 -4.981 -0.144 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.253 -4.508 0.875 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.357 -6.181 0.278 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.454 -4.960 -0.650 1.00 0.00 H new ATOM 724 N GLU A 44 -3.800 -2.934 -2.141 1.00 0.00 N ATOM 725 CA GLU A 44 -3.766 -1.561 -2.634 1.00 0.00 C ATOM 726 C GLU A 44 -5.116 -1.181 -3.225 1.00 0.00 C ATOM 727 O GLU A 44 -5.637 -0.102 -2.963 1.00 0.00 O ATOM 728 CB GLU A 44 -2.674 -1.408 -3.695 1.00 0.00 C ATOM 729 CG GLU A 44 -1.272 -1.629 -3.161 1.00 0.00 C ATOM 730 CD GLU A 44 -0.714 -0.426 -2.426 1.00 0.00 C ATOM 731 OE1 GLU A 44 -0.082 0.431 -3.062 1.00 0.00 O ATOM 732 OE2 GLU A 44 -0.836 -0.330 -1.206 1.00 0.00 O ATOM 0 H GLU A 44 -3.165 -3.570 -2.624 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.545 -0.897 -1.798 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.862 -2.116 -4.502 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.736 -0.409 -4.126 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.278 -2.487 -2.488 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.610 -1.879 -3.990 1.00 0.00 H new ATOM 739 N LYS A 45 -5.688 -2.095 -3.999 1.00 0.00 N ATOM 740 CA LYS A 45 -6.977 -1.872 -4.643 1.00 0.00 C ATOM 741 C LYS A 45 -8.045 -1.587 -3.586 1.00 0.00 C ATOM 742 O LYS A 45 -8.917 -0.739 -3.778 1.00 0.00 O ATOM 743 CB LYS A 45 -7.355 -3.111 -5.470 1.00 0.00 C ATOM 744 CG LYS A 45 -8.234 -2.831 -6.685 1.00 0.00 C ATOM 745 CD LYS A 45 -9.653 -2.442 -6.300 1.00 0.00 C ATOM 746 CE LYS A 45 -10.510 -2.209 -7.533 1.00 0.00 C ATOM 747 NZ LYS A 45 -11.880 -1.751 -7.185 1.00 0.00 N ATOM 0 H LYS A 45 -5.275 -3.006 -4.197 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.910 -1.010 -5.306 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.440 -3.598 -5.807 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.872 -3.818 -4.822 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.788 -2.030 -7.275 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.263 -3.716 -7.320 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -10.096 -3.228 -5.689 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -9.633 -1.538 -5.691 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -10.031 -1.466 -8.171 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -10.573 -3.132 -8.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -12.429 -1.605 -8.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -12.348 -2.471 -6.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -11.823 -0.857 -6.657 1.00 0.00 H new ATOM 761 N GLN A 46 -7.949 -2.290 -2.466 1.00 0.00 N ATOM 762 CA GLN A 46 -8.864 -2.103 -1.348 1.00 0.00 C ATOM 763 C GLN A 46 -8.736 -0.691 -0.785 1.00 0.00 C ATOM 764 O GLN A 46 -9.732 0.001 -0.575 1.00 0.00 O ATOM 765 CB GLN A 46 -8.543 -3.129 -0.257 1.00 0.00 C ATOM 766 CG GLN A 46 -9.542 -3.167 0.886 1.00 0.00 C ATOM 767 CD GLN A 46 -9.114 -4.118 1.987 1.00 0.00 C ATOM 768 OE1 GLN A 46 -9.420 -5.308 1.950 1.00 0.00 O ATOM 769 NE2 GLN A 46 -8.397 -3.600 2.974 1.00 0.00 N ATOM 0 H GLN A 46 -7.238 -3.003 -2.307 1.00 0.00 H new ATOM 0 HA GLN A 46 -9.887 -2.244 -1.696 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -8.492 -4.119 -0.711 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -7.555 -2.912 0.148 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -9.659 -2.165 1.298 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -10.517 -3.470 0.505 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -8.164 -2.607 2.968 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -8.078 -4.194 3.739 1.00 0.00 H new ATOM 778 N GLY A 47 -7.499 -0.267 -0.563 1.00 0.00 N ATOM 779 CA GLY A 47 -7.249 1.049 -0.010 1.00 0.00 C ATOM 780 C GLY A 47 -7.569 2.171 -0.978 1.00 0.00 C ATOM 781 O GLY A 47 -8.246 3.131 -0.616 1.00 0.00 O ATOM 0 H GLY A 47 -6.660 -0.814 -0.757 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.845 1.176 0.894 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.202 1.120 0.286 1.00 0.00 H new ATOM 785 N VAL A 48 -7.105 2.037 -2.218 1.00 0.00 N ATOM 786 CA VAL A 48 -7.279 3.076 -3.230 1.00 0.00 C ATOM 787 C VAL A 48 -8.755 3.399 -3.445 1.00 0.00 C ATOM 788 O VAL A 48 -9.119 4.554 -3.672 1.00 0.00 O ATOM 789 CB VAL A 48 -6.620 2.682 -4.573 1.00 0.00 C ATOM 790 CG1 VAL A 48 -6.910 3.714 -5.655 1.00 0.00 C ATOM 791 CG2 VAL A 48 -5.118 2.519 -4.403 1.00 0.00 C ATOM 0 H VAL A 48 -6.602 1.213 -2.548 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.779 3.969 -2.855 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.049 1.729 -4.884 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -6.433 3.408 -6.586 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.987 3.790 -5.806 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.518 4.683 -5.348 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.672 2.242 -5.358 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.686 3.459 -4.060 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.917 1.739 -3.669 1.00 0.00 H new ATOM 801 N LYS A 49 -9.602 2.378 -3.372 1.00 0.00 N ATOM 802 CA LYS A 49 -11.042 2.575 -3.490 1.00 0.00 C ATOM 803 C LYS A 49 -11.531 3.584 -2.456 1.00 0.00 C ATOM 804 O LYS A 49 -12.225 4.547 -2.787 1.00 0.00 O ATOM 805 CB LYS A 49 -11.766 1.242 -3.289 1.00 0.00 C ATOM 806 CG LYS A 49 -13.283 1.360 -3.315 1.00 0.00 C ATOM 807 CD LYS A 49 -13.951 0.033 -3.004 1.00 0.00 C ATOM 808 CE LYS A 49 -15.452 0.192 -2.827 1.00 0.00 C ATOM 809 NZ LYS A 49 -15.786 1.113 -1.707 1.00 0.00 N ATOM 0 H LYS A 49 -9.317 1.409 -3.232 1.00 0.00 H new ATOM 0 HA LYS A 49 -11.259 2.961 -4.486 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -11.451 0.547 -4.067 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -11.460 0.813 -2.335 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -13.603 2.108 -2.590 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -13.605 1.709 -4.296 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -13.752 -0.673 -3.810 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -13.519 -0.389 -2.096 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -15.888 0.572 -3.751 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -15.901 -0.784 -2.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -16.752 0.919 -1.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -15.115 0.967 -0.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -15.724 2.097 -2.037 1.00 0.00 H new ATOM 823 N VAL A 50 -11.123 3.374 -1.213 1.00 0.00 N ATOM 824 CA VAL A 50 -11.531 4.232 -0.107 1.00 0.00 C ATOM 825 C VAL A 50 -10.867 5.601 -0.203 1.00 0.00 C ATOM 826 O VAL A 50 -11.508 6.624 0.024 1.00 0.00 O ATOM 827 CB VAL A 50 -11.198 3.588 1.257 1.00 0.00 C ATOM 828 CG1 VAL A 50 -11.695 4.453 2.405 1.00 0.00 C ATOM 829 CG2 VAL A 50 -11.789 2.188 1.344 1.00 0.00 C ATOM 0 H VAL A 50 -10.504 2.610 -0.942 1.00 0.00 H new ATOM 0 HA VAL A 50 -12.611 4.357 -0.178 1.00 0.00 H new ATOM 0 HB VAL A 50 -10.114 3.511 1.340 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -11.447 3.976 3.353 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -11.218 5.432 2.356 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -12.776 4.572 2.330 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.545 1.749 2.311 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -12.872 2.243 1.234 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -11.374 1.568 0.549 1.00 0.00 H new ATOM 839 N TYR A 51 -9.583 5.616 -0.544 1.00 0.00 N ATOM 840 CA TYR A 51 -8.849 6.870 -0.703 1.00 0.00 C ATOM 841 C TYR A 51 -9.500 7.754 -1.762 1.00 0.00 C ATOM 842 O TYR A 51 -9.654 8.958 -1.565 1.00 0.00 O ATOM 843 CB TYR A 51 -7.387 6.603 -1.076 1.00 0.00 C ATOM 844 CG TYR A 51 -6.489 6.304 0.105 1.00 0.00 C ATOM 845 CD1 TYR A 51 -5.838 7.330 0.778 1.00 0.00 C ATOM 846 CD2 TYR A 51 -6.284 5.002 0.541 1.00 0.00 C ATOM 847 CE1 TYR A 51 -5.013 7.067 1.853 1.00 0.00 C ATOM 848 CE2 TYR A 51 -5.461 4.730 1.616 1.00 0.00 C ATOM 849 CZ TYR A 51 -4.825 5.765 2.266 1.00 0.00 C ATOM 850 OH TYR A 51 -4.007 5.496 3.339 1.00 0.00 O ATOM 0 H TYR A 51 -9.028 4.777 -0.716 1.00 0.00 H new ATOM 0 HA TYR A 51 -8.878 7.392 0.253 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -7.348 5.763 -1.769 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -6.995 7.471 -1.606 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -5.980 8.351 0.455 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -6.777 4.188 0.031 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -4.517 7.877 2.368 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -5.317 3.712 1.945 1.00 0.00 H new ATOM 0 HH TYR A 51 -3.701 4.566 3.292 1.00 0.00 H new ATOM 860 N LYS A 52 -9.896 7.145 -2.875 1.00 0.00 N ATOM 861 CA LYS A 52 -10.524 7.876 -3.970 1.00 0.00 C ATOM 862 C LYS A 52 -11.869 8.439 -3.514 1.00 0.00 C ATOM 863 O LYS A 52 -12.237 9.566 -3.853 1.00 0.00 O ATOM 864 CB LYS A 52 -10.700 6.944 -5.179 1.00 0.00 C ATOM 865 CG LYS A 52 -10.788 7.657 -6.526 1.00 0.00 C ATOM 866 CD LYS A 52 -12.152 8.288 -6.765 1.00 0.00 C ATOM 867 CE LYS A 52 -13.233 7.238 -6.978 1.00 0.00 C ATOM 868 NZ LYS A 52 -14.559 7.856 -7.237 1.00 0.00 N ATOM 0 H LYS A 52 -9.793 6.144 -3.043 1.00 0.00 H new ATOM 0 HA LYS A 52 -9.887 8.710 -4.266 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -9.864 6.245 -5.207 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -11.605 6.353 -5.036 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -10.021 8.430 -6.575 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -10.576 6.946 -7.324 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -12.417 8.914 -5.913 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -12.103 8.940 -7.637 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -12.959 6.600 -7.818 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -13.296 6.598 -6.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -15.269 7.109 -7.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -14.832 8.445 -6.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -14.506 8.447 -8.091 1.00 0.00 H new ATOM 882 N GLU A 53 -12.594 7.650 -2.738 1.00 0.00 N ATOM 883 CA GLU A 53 -13.872 8.068 -2.192 1.00 0.00 C ATOM 884 C GLU A 53 -13.694 9.178 -1.154 1.00 0.00 C ATOM 885 O GLU A 53 -14.437 10.162 -1.146 1.00 0.00 O ATOM 886 CB GLU A 53 -14.579 6.856 -1.593 1.00 0.00 C ATOM 887 CG GLU A 53 -15.127 5.913 -2.652 1.00 0.00 C ATOM 888 CD GLU A 53 -15.799 4.688 -2.073 1.00 0.00 C ATOM 889 OE1 GLU A 53 -16.983 4.786 -1.681 1.00 0.00 O ATOM 890 OE2 GLU A 53 -15.164 3.618 -2.030 1.00 0.00 O ATOM 0 H GLU A 53 -12.314 6.706 -2.471 1.00 0.00 H new ATOM 0 HA GLU A 53 -14.487 8.479 -2.993 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -13.882 6.313 -0.955 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -15.396 7.195 -0.957 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -15.843 6.452 -3.273 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -14.313 5.598 -3.304 1.00 0.00 H new ATOM 897 N ALA A 54 -12.688 9.026 -0.302 1.00 0.00 N ATOM 898 CA ALA A 54 -12.402 9.999 0.747 1.00 0.00 C ATOM 899 C ALA A 54 -11.937 11.328 0.165 1.00 0.00 C ATOM 900 O ALA A 54 -12.221 12.385 0.721 1.00 0.00 O ATOM 901 CB ALA A 54 -11.357 9.454 1.707 1.00 0.00 C ATOM 0 H ALA A 54 -12.050 8.230 -0.317 1.00 0.00 H new ATOM 0 HA ALA A 54 -13.328 10.177 1.293 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -11.156 10.192 2.483 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -11.727 8.537 2.166 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -10.438 9.241 1.161 1.00 0.00 H new ATOM 907 N ALA A 55 -11.220 11.270 -0.950 1.00 0.00 N ATOM 908 CA ALA A 55 -10.722 12.475 -1.609 1.00 0.00 C ATOM 909 C ALA A 55 -11.863 13.415 -1.992 1.00 0.00 C ATOM 910 O ALA A 55 -11.717 14.638 -1.953 1.00 0.00 O ATOM 911 CB ALA A 55 -9.908 12.101 -2.838 1.00 0.00 C ATOM 0 H ALA A 55 -10.969 10.400 -1.419 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.081 13.003 -0.904 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.542 13.007 -3.321 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.062 11.482 -2.540 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -10.536 11.546 -3.535 1.00 0.00 H new ATOM 917 N GLU A 56 -13.005 12.838 -2.348 1.00 0.00 N ATOM 918 CA GLU A 56 -14.168 13.625 -2.733 1.00 0.00 C ATOM 919 C GLU A 56 -14.979 14.036 -1.512 1.00 0.00 C ATOM 920 O GLU A 56 -15.868 14.880 -1.597 1.00 0.00 O ATOM 921 CB GLU A 56 -15.036 12.841 -3.711 1.00 0.00 C ATOM 922 CG GLU A 56 -14.385 12.656 -5.071 1.00 0.00 C ATOM 923 CD GLU A 56 -14.254 13.957 -5.837 1.00 0.00 C ATOM 924 OE1 GLU A 56 -13.488 14.841 -5.405 1.00 0.00 O ATOM 925 OE2 GLU A 56 -14.925 14.098 -6.880 1.00 0.00 O ATOM 0 H GLU A 56 -13.149 11.829 -2.378 1.00 0.00 H new ATOM 0 HA GLU A 56 -13.817 14.532 -3.224 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -15.259 11.862 -3.286 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -15.987 13.358 -3.838 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.397 12.215 -4.940 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -14.973 11.951 -5.658 1.00 0.00 H new ATOM 932 N LYS A 57 -14.660 13.437 -0.377 1.00 0.00 N ATOM 933 CA LYS A 57 -15.328 13.751 0.871 1.00 0.00 C ATOM 934 C LYS A 57 -14.470 14.694 1.705 1.00 0.00 C ATOM 935 O LYS A 57 -14.840 15.075 2.816 1.00 0.00 O ATOM 936 CB LYS A 57 -15.604 12.466 1.644 1.00 0.00 C ATOM 937 CG LYS A 57 -16.626 11.557 0.978 1.00 0.00 C ATOM 938 CD LYS A 57 -17.995 12.212 0.901 1.00 0.00 C ATOM 939 CE LYS A 57 -19.007 11.312 0.213 1.00 0.00 C ATOM 940 NZ LYS A 57 -20.369 11.907 0.223 1.00 0.00 N ATOM 0 H LYS A 57 -13.935 12.724 -0.296 1.00 0.00 H new ATOM 0 HA LYS A 57 -16.275 14.246 0.653 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -14.669 11.918 1.766 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -15.956 12.722 2.643 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -16.287 11.303 -0.026 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -16.700 10.623 1.535 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -18.343 12.449 1.906 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -17.918 13.155 0.359 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -18.695 11.134 -0.816 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -19.030 10.343 0.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -21.032 11.264 -0.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -20.677 12.053 1.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -20.353 12.820 -0.274 1.00 0.00 H new ATOM 954 N ALA A 58 -13.325 15.069 1.152 1.00 0.00 N ATOM 955 CA ALA A 58 -12.383 15.935 1.845 1.00 0.00 C ATOM 956 C ALA A 58 -12.947 17.337 2.020 1.00 0.00 C ATOM 957 O ALA A 58 -13.121 18.079 1.055 1.00 0.00 O ATOM 958 CB ALA A 58 -11.062 15.980 1.098 1.00 0.00 C ATOM 0 H ALA A 58 -13.025 14.785 0.219 1.00 0.00 H new ATOM 0 HA ALA A 58 -12.211 15.520 2.838 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -10.367 16.631 1.627 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.644 14.975 1.038 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -11.226 16.366 0.092 1.00 0.00 H new ATOM 964 N ARG A 59 -13.221 17.691 3.268 1.00 0.00 N ATOM 965 CA ARG A 59 -13.796 18.989 3.597 1.00 0.00 C ATOM 966 C ARG A 59 -12.713 20.059 3.694 1.00 0.00 C ATOM 967 O ARG A 59 -13.001 21.236 3.912 1.00 0.00 O ATOM 968 CB ARG A 59 -14.572 18.889 4.913 1.00 0.00 C ATOM 969 CG ARG A 59 -15.720 17.897 4.854 1.00 0.00 C ATOM 970 CD ARG A 59 -16.309 17.623 6.229 1.00 0.00 C ATOM 971 NE ARG A 59 -17.445 16.707 6.155 1.00 0.00 N ATOM 972 CZ ARG A 59 -17.586 15.621 6.916 1.00 0.00 C ATOM 973 NH1 ARG A 59 -16.682 15.326 7.846 1.00 0.00 N ATOM 974 NH2 ARG A 59 -18.640 14.829 6.749 1.00 0.00 N ATOM 0 H ARG A 59 -13.053 17.092 4.076 1.00 0.00 H new ATOM 0 HA ARG A 59 -14.480 19.280 2.799 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -13.888 18.597 5.710 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -14.963 19.873 5.173 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -16.499 18.283 4.197 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -15.369 16.962 4.417 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -15.541 17.200 6.877 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -16.627 18.562 6.683 1.00 0.00 H new ATOM 0 HE ARG A 59 -18.179 16.912 5.477 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -15.873 15.932 7.982 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -16.798 14.493 8.424 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -19.339 15.052 6.040 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -18.750 13.998 7.330 1.00 0.00 H new ATOM 988 N ASN A 60 -11.464 19.641 3.521 1.00 0.00 N ATOM 989 CA ASN A 60 -10.327 20.549 3.582 1.00 0.00 C ATOM 990 C ASN A 60 -9.394 20.298 2.403 1.00 0.00 C ATOM 991 O ASN A 60 -8.929 19.176 2.201 1.00 0.00 O ATOM 992 CB ASN A 60 -9.575 20.369 4.903 1.00 0.00 C ATOM 993 CG ASN A 60 -8.343 21.250 5.000 1.00 0.00 C ATOM 994 OD1 ASN A 60 -7.245 20.840 4.629 1.00 0.00 O ATOM 995 ND2 ASN A 60 -8.521 22.471 5.472 1.00 0.00 N ATOM 0 H ASN A 60 -11.213 18.670 3.336 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.692 21.575 3.528 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -10.245 20.596 5.732 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.280 19.325 5.009 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -7.731 23.112 5.539 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -9.449 22.773 5.769 1.00 0.00 H new ATOM 1002 N PRO A 61 -9.104 21.347 1.614 1.00 0.00 N ATOM 1003 CA PRO A 61 -8.302 21.230 0.389 1.00 0.00 C ATOM 1004 C PRO A 61 -6.852 20.815 0.647 1.00 0.00 C ATOM 1005 O PRO A 61 -6.264 20.077 -0.145 1.00 0.00 O ATOM 1006 CB PRO A 61 -8.356 22.638 -0.217 1.00 0.00 C ATOM 1007 CG PRO A 61 -8.691 23.539 0.924 1.00 0.00 C ATOM 1008 CD PRO A 61 -9.553 22.730 1.849 1.00 0.00 C ATOM 0 HA PRO A 61 -8.695 20.450 -0.263 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -7.401 22.910 -0.667 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -9.109 22.700 -1.003 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.788 23.880 1.430 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -9.217 24.428 0.578 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -9.414 23.026 2.889 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -10.612 22.853 1.621 1.00 0.00 H new ATOM 1016 N GLU A 62 -6.277 21.277 1.752 1.00 0.00 N ATOM 1017 CA GLU A 62 -4.888 20.958 2.064 1.00 0.00 C ATOM 1018 C GLU A 62 -4.767 19.495 2.442 1.00 0.00 C ATOM 1019 O GLU A 62 -3.870 18.789 1.986 1.00 0.00 O ATOM 1020 CB GLU A 62 -4.377 21.817 3.211 1.00 0.00 C ATOM 1021 CG GLU A 62 -2.866 21.776 3.361 1.00 0.00 C ATOM 1022 CD GLU A 62 -2.369 22.603 4.524 1.00 0.00 C ATOM 1023 OE1 GLU A 62 -2.515 22.155 5.681 1.00 0.00 O ATOM 1024 OE2 GLU A 62 -1.817 23.697 4.289 1.00 0.00 O ATOM 0 H GLU A 62 -6.745 21.867 2.440 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.286 21.162 1.178 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.692 22.848 3.053 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.837 21.482 4.141 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.547 20.742 3.494 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.405 22.136 2.442 1.00 0.00 H new ATOM 1031 N LYS A 63 -5.692 19.050 3.272 1.00 0.00 N ATOM 1032 CA LYS A 63 -5.759 17.649 3.668 1.00 0.00 C ATOM 1033 C LYS A 63 -6.043 16.777 2.450 1.00 0.00 C ATOM 1034 O LYS A 63 -5.522 15.667 2.332 1.00 0.00 O ATOM 1035 CB LYS A 63 -6.836 17.444 4.738 1.00 0.00 C ATOM 1036 CG LYS A 63 -6.829 16.049 5.345 1.00 0.00 C ATOM 1037 CD LYS A 63 -7.925 15.885 6.384 1.00 0.00 C ATOM 1038 CE LYS A 63 -7.882 14.506 7.027 1.00 0.00 C ATOM 1039 NZ LYS A 63 -6.690 14.327 7.903 1.00 0.00 N ATOM 0 H LYS A 63 -6.413 19.639 3.689 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.798 17.358 4.092 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.693 18.178 5.531 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.815 17.636 4.299 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.961 15.308 4.557 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.860 15.857 5.805 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.816 16.650 7.153 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.897 16.039 5.916 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.788 14.353 7.614 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.875 13.744 6.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.773 13.430 8.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.829 14.311 7.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.635 15.115 8.580 1.00 0.00 H new ATOM 1053 N ARG A 64 -6.867 17.296 1.541 1.00 0.00 N ATOM 1054 CA ARG A 64 -7.146 16.612 0.286 1.00 0.00 C ATOM 1055 C ARG A 64 -5.870 16.447 -0.528 1.00 0.00 C ATOM 1056 O ARG A 64 -5.654 15.406 -1.137 1.00 0.00 O ATOM 1057 CB ARG A 64 -8.204 17.366 -0.535 1.00 0.00 C ATOM 1058 CG ARG A 64 -8.402 16.789 -1.931 1.00 0.00 C ATOM 1059 CD ARG A 64 -9.762 17.135 -2.520 1.00 0.00 C ATOM 1060 NE ARG A 64 -10.035 18.571 -2.528 1.00 0.00 N ATOM 1061 CZ ARG A 64 -10.038 19.321 -3.632 1.00 0.00 C ATOM 1062 NH1 ARG A 64 -9.624 18.818 -4.789 1.00 0.00 N ATOM 1063 NH2 ARG A 64 -10.425 20.590 -3.573 1.00 0.00 N ATOM 0 H ARG A 64 -7.351 18.187 1.653 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.541 15.625 0.526 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -9.154 17.343 -0.001 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.911 18.413 -0.619 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.619 17.164 -2.590 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -8.293 15.705 -1.891 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -9.817 16.755 -3.540 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -10.539 16.627 -1.949 1.00 0.00 H new ATOM 0 HE ARG A 64 -10.235 19.027 -1.638 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -9.301 17.852 -4.839 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -9.629 19.398 -5.628 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -10.720 20.992 -2.683 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -10.427 21.162 -4.417 1.00 0.00 H new ATOM 1077 N GLN A 65 -5.022 17.468 -0.509 1.00 0.00 N ATOM 1078 CA GLN A 65 -3.763 17.435 -1.247 1.00 0.00 C ATOM 1079 C GLN A 65 -2.864 16.323 -0.715 1.00 0.00 C ATOM 1080 O GLN A 65 -2.206 15.625 -1.481 1.00 0.00 O ATOM 1081 CB GLN A 65 -3.047 18.785 -1.133 1.00 0.00 C ATOM 1082 CG GLN A 65 -2.588 19.364 -2.464 1.00 0.00 C ATOM 1083 CD GLN A 65 -1.781 18.381 -3.294 1.00 0.00 C ATOM 1084 OE1 GLN A 65 -0.561 18.281 -3.148 1.00 0.00 O ATOM 1085 NE2 GLN A 65 -2.458 17.664 -4.181 1.00 0.00 N ATOM 0 H GLN A 65 -5.183 18.331 0.010 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.982 17.238 -2.296 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.716 19.498 -0.651 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -2.181 18.670 -0.482 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -3.460 19.683 -3.035 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -1.986 20.254 -2.278 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -3.468 17.780 -4.267 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.969 16.996 -4.777 1.00 0.00 H new ATOM 1094 N VAL A 66 -2.852 16.160 0.603 1.00 0.00 N ATOM 1095 CA VAL A 66 -2.074 15.103 1.235 1.00 0.00 C ATOM 1096 C VAL A 66 -2.575 13.733 0.783 1.00 0.00 C ATOM 1097 O VAL A 66 -1.796 12.888 0.339 1.00 0.00 O ATOM 1098 CB VAL A 66 -2.147 15.192 2.776 1.00 0.00 C ATOM 1099 CG1 VAL A 66 -1.304 14.103 3.425 1.00 0.00 C ATOM 1100 CG2 VAL A 66 -1.707 16.567 3.257 1.00 0.00 C ATOM 0 H VAL A 66 -3.373 16.747 1.254 1.00 0.00 H new ATOM 0 HA VAL A 66 -1.036 15.233 0.930 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.185 15.040 3.073 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.372 14.188 4.510 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.671 13.125 3.114 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.264 14.216 3.117 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.766 16.608 4.345 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.680 16.751 2.942 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.360 17.328 2.829 1.00 0.00 H new ATOM 1110 N ILE A 67 -3.887 13.532 0.880 1.00 0.00 N ATOM 1111 CA ILE A 67 -4.506 12.277 0.475 1.00 0.00 C ATOM 1112 C ILE A 67 -4.305 12.032 -1.021 1.00 0.00 C ATOM 1113 O ILE A 67 -4.005 10.917 -1.446 1.00 0.00 O ATOM 1114 CB ILE A 67 -6.019 12.271 0.797 1.00 0.00 C ATOM 1115 CG1 ILE A 67 -6.244 12.472 2.297 1.00 0.00 C ATOM 1116 CG2 ILE A 67 -6.661 10.970 0.334 1.00 0.00 C ATOM 1117 CD1 ILE A 67 -7.703 12.569 2.691 1.00 0.00 C ATOM 0 H ILE A 67 -4.543 14.227 1.237 1.00 0.00 H new ATOM 0 HA ILE A 67 -4.023 11.479 1.038 1.00 0.00 H new ATOM 0 HB ILE A 67 -6.488 13.095 0.260 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -5.786 11.643 2.837 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.731 13.381 2.613 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -7.725 10.985 0.570 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -6.529 10.862 -0.743 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -6.189 10.130 0.843 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -7.780 12.711 3.769 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -8.162 13.415 2.180 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -8.218 11.651 2.408 1.00 0.00 H new ATOM 1129 N ASP A 68 -4.455 13.092 -1.804 1.00 0.00 N ATOM 1130 CA ASP A 68 -4.302 13.026 -3.253 1.00 0.00 C ATOM 1131 C ASP A 68 -2.884 12.600 -3.625 1.00 0.00 C ATOM 1132 O ASP A 68 -2.687 11.751 -4.500 1.00 0.00 O ATOM 1133 CB ASP A 68 -4.621 14.392 -3.871 1.00 0.00 C ATOM 1134 CG ASP A 68 -4.727 14.349 -5.379 1.00 0.00 C ATOM 1135 OD1 ASP A 68 -3.681 14.370 -6.056 1.00 0.00 O ATOM 1136 OD2 ASP A 68 -5.864 14.313 -5.899 1.00 0.00 O ATOM 0 H ASP A 68 -4.686 14.022 -1.454 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.998 12.284 -3.644 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.559 14.762 -3.457 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.845 15.103 -3.587 1.00 0.00 H new ATOM 1141 N LYS A 69 -1.903 13.179 -2.940 1.00 0.00 N ATOM 1142 CA LYS A 69 -0.502 12.827 -3.155 1.00 0.00 C ATOM 1143 C LYS A 69 -0.268 11.348 -2.842 1.00 0.00 C ATOM 1144 O LYS A 69 0.397 10.643 -3.600 1.00 0.00 O ATOM 1145 CB LYS A 69 0.407 13.706 -2.284 1.00 0.00 C ATOM 1146 CG LYS A 69 1.890 13.583 -2.617 1.00 0.00 C ATOM 1147 CD LYS A 69 2.759 14.368 -1.638 1.00 0.00 C ATOM 1148 CE LYS A 69 2.466 15.866 -1.672 1.00 0.00 C ATOM 1149 NZ LYS A 69 2.892 16.502 -2.949 1.00 0.00 N ATOM 0 H LYS A 69 -2.052 13.896 -2.230 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.258 13.002 -4.203 1.00 0.00 H new ATOM 0 HB2 LYS A 69 0.105 14.747 -2.396 1.00 0.00 H new ATOM 0 HB3 LYS A 69 0.257 13.442 -1.237 1.00 0.00 H new ATOM 0 HG2 LYS A 69 2.180 12.533 -2.599 1.00 0.00 H new ATOM 0 HG3 LYS A 69 2.066 13.945 -3.630 1.00 0.00 H new ATOM 0 HD2 LYS A 69 2.595 13.991 -0.628 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.810 14.201 -1.874 1.00 0.00 H new ATOM 0 HE2 LYS A 69 1.398 16.027 -1.528 1.00 0.00 H new ATOM 0 HE3 LYS A 69 2.976 16.352 -0.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 2.702 17.524 -2.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 3.910 16.344 -3.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 2.362 16.083 -3.739 1.00 0.00 H new ATOM 1163 N ILE A 70 -0.839 10.883 -1.731 1.00 0.00 N ATOM 1164 CA ILE A 70 -0.733 9.478 -1.338 1.00 0.00 C ATOM 1165 C ILE A 70 -1.441 8.583 -2.355 1.00 0.00 C ATOM 1166 O ILE A 70 -0.935 7.523 -2.725 1.00 0.00 O ATOM 1167 CB ILE A 70 -1.333 9.242 0.068 1.00 0.00 C ATOM 1168 CG1 ILE A 70 -0.553 10.041 1.116 1.00 0.00 C ATOM 1169 CG2 ILE A 70 -1.336 7.755 0.416 1.00 0.00 C ATOM 1170 CD1 ILE A 70 -1.124 9.935 2.515 1.00 0.00 C ATOM 0 H ILE A 70 -1.380 11.459 -1.087 1.00 0.00 H new ATOM 0 HA ILE A 70 0.326 9.223 -1.309 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.367 9.588 0.064 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.480 9.695 1.128 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.534 11.090 0.820 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.763 7.615 1.409 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.934 7.211 -0.316 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.314 7.376 0.403 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -0.518 10.527 3.201 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.148 10.309 2.519 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.117 8.892 2.833 1.00 0.00 H new ATOM 1182 N LEU A 71 -2.603 9.036 -2.816 1.00 0.00 N ATOM 1183 CA LEU A 71 -3.379 8.314 -3.815 1.00 0.00 C ATOM 1184 C LEU A 71 -2.557 8.077 -5.071 1.00 0.00 C ATOM 1185 O LEU A 71 -2.616 7.004 -5.668 1.00 0.00 O ATOM 1186 CB LEU A 71 -4.639 9.104 -4.175 1.00 0.00 C ATOM 1187 CG LEU A 71 -5.953 8.514 -3.668 1.00 0.00 C ATOM 1188 CD1 LEU A 71 -7.106 9.463 -3.959 1.00 0.00 C ATOM 1189 CD2 LEU A 71 -6.207 7.161 -4.314 1.00 0.00 C ATOM 0 H LEU A 71 -3.030 9.910 -2.509 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.661 7.350 -3.392 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.538 10.115 -3.779 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.695 9.191 -5.260 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.880 8.377 -2.589 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.036 9.029 -3.592 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -6.928 10.415 -3.460 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.181 9.625 -5.034 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.147 6.752 -3.944 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.264 7.279 -5.396 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.392 6.481 -4.066 1.00 0.00 H new ATOM 1201 N GLU A 72 -1.794 9.091 -5.460 1.00 0.00 N ATOM 1202 CA GLU A 72 -0.948 9.020 -6.646 1.00 0.00 C ATOM 1203 C GLU A 72 0.064 7.886 -6.511 1.00 0.00 C ATOM 1204 O GLU A 72 0.269 7.106 -7.440 1.00 0.00 O ATOM 1205 CB GLU A 72 -0.236 10.368 -6.840 1.00 0.00 C ATOM 1206 CG GLU A 72 0.422 10.570 -8.202 1.00 0.00 C ATOM 1207 CD GLU A 72 1.787 9.917 -8.313 1.00 0.00 C ATOM 1208 OE1 GLU A 72 2.645 10.164 -7.440 1.00 0.00 O ATOM 1209 OE2 GLU A 72 2.012 9.149 -9.268 1.00 0.00 O ATOM 0 H GLU A 72 -1.744 9.982 -4.965 1.00 0.00 H new ATOM 0 HA GLU A 72 -1.565 8.814 -7.521 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -0.960 11.168 -6.683 1.00 0.00 H new ATOM 0 HB3 GLU A 72 0.526 10.471 -6.068 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -0.230 10.166 -8.976 1.00 0.00 H new ATOM 0 HG3 GLU A 72 0.521 11.638 -8.395 1.00 0.00 H new ATOM 1216 N ASP A 73 0.686 7.789 -5.347 1.00 0.00 N ATOM 1217 CA ASP A 73 1.667 6.738 -5.111 1.00 0.00 C ATOM 1218 C ASP A 73 1.018 5.364 -5.024 1.00 0.00 C ATOM 1219 O ASP A 73 1.520 4.415 -5.611 1.00 0.00 O ATOM 1220 CB ASP A 73 2.518 7.013 -3.871 1.00 0.00 C ATOM 1221 CG ASP A 73 3.665 7.956 -4.180 1.00 0.00 C ATOM 1222 OD1 ASP A 73 4.484 7.627 -5.072 1.00 0.00 O ATOM 1223 OD2 ASP A 73 3.750 9.036 -3.562 1.00 0.00 O ATOM 0 H ASP A 73 0.533 8.417 -4.558 1.00 0.00 H new ATOM 0 HA ASP A 73 2.331 6.740 -5.975 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.893 7.443 -3.088 1.00 0.00 H new ATOM 0 HB3 ASP A 73 2.913 6.074 -3.484 1.00 0.00 H new ATOM 1228 N GLU A 74 -0.101 5.255 -4.317 1.00 0.00 N ATOM 1229 CA GLU A 74 -0.786 3.966 -4.187 1.00 0.00 C ATOM 1230 C GLU A 74 -1.263 3.465 -5.551 1.00 0.00 C ATOM 1231 O GLU A 74 -1.100 2.291 -5.879 1.00 0.00 O ATOM 1232 CB GLU A 74 -1.965 4.066 -3.217 1.00 0.00 C ATOM 1233 CG GLU A 74 -1.578 4.512 -1.819 1.00 0.00 C ATOM 1234 CD GLU A 74 -0.661 3.540 -1.093 1.00 0.00 C ATOM 1235 OE1 GLU A 74 -0.124 2.594 -1.724 1.00 0.00 O ATOM 1236 OE2 GLU A 74 -0.455 3.730 0.130 1.00 0.00 O ATOM 0 H GLU A 74 -0.552 6.030 -3.830 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.071 3.248 -3.784 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -2.696 4.766 -3.621 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.454 3.094 -3.155 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.086 5.483 -1.881 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -2.484 4.651 -1.229 1.00 0.00 H new ATOM 1243 N GLU A 75 -1.845 4.366 -6.344 1.00 0.00 N ATOM 1244 CA GLU A 75 -2.235 4.071 -7.701 1.00 0.00 C ATOM 1245 C GLU A 75 -1.017 3.611 -8.510 1.00 0.00 C ATOM 1246 O GLU A 75 -1.087 2.641 -9.269 1.00 0.00 O ATOM 1247 CB GLU A 75 -2.869 5.347 -8.273 1.00 0.00 C ATOM 1248 CG GLU A 75 -3.187 5.315 -9.746 1.00 0.00 C ATOM 1249 CD GLU A 75 -2.016 5.797 -10.570 1.00 0.00 C ATOM 1250 OE1 GLU A 75 -1.658 6.977 -10.419 1.00 0.00 O ATOM 1251 OE2 GLU A 75 -1.360 4.946 -11.196 1.00 0.00 O ATOM 0 H GLU A 75 -2.055 5.320 -6.051 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.957 3.256 -7.746 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.789 5.550 -7.726 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.195 6.182 -8.084 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.449 4.299 -10.042 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -4.057 5.940 -9.946 1.00 0.00 H new ATOM 1258 N LYS A 76 0.102 4.302 -8.303 1.00 0.00 N ATOM 1259 CA LYS A 76 1.364 3.977 -8.962 1.00 0.00 C ATOM 1260 C LYS A 76 1.849 2.580 -8.570 1.00 0.00 C ATOM 1261 O LYS A 76 2.319 1.815 -9.414 1.00 0.00 O ATOM 1262 CB LYS A 76 2.419 5.017 -8.577 1.00 0.00 C ATOM 1263 CG LYS A 76 3.754 4.846 -9.280 1.00 0.00 C ATOM 1264 CD LYS A 76 4.864 5.672 -8.626 1.00 0.00 C ATOM 1265 CE LYS A 76 4.586 7.173 -8.659 1.00 0.00 C ATOM 1266 NZ LYS A 76 3.629 7.600 -7.603 1.00 0.00 N ATOM 0 H LYS A 76 0.159 5.103 -7.674 1.00 0.00 H new ATOM 0 HA LYS A 76 1.204 3.990 -10.040 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.030 6.011 -8.799 1.00 0.00 H new ATOM 0 HB3 LYS A 76 2.581 4.971 -7.500 1.00 0.00 H new ATOM 0 HG2 LYS A 76 4.035 3.793 -9.271 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.652 5.140 -10.325 1.00 0.00 H new ATOM 0 HD2 LYS A 76 4.986 5.353 -7.591 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.807 5.471 -9.134 1.00 0.00 H new ATOM 0 HE2 LYS A 76 5.523 7.715 -8.536 1.00 0.00 H new ATOM 0 HE3 LYS A 76 4.187 7.444 -9.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 3.653 8.636 -7.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 2.668 7.298 -7.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 3.896 7.165 -6.697 1.00 0.00 H new ATOM 1280 N HIS A 77 1.737 2.263 -7.282 1.00 0.00 N ATOM 1281 CA HIS A 77 2.184 0.977 -6.748 1.00 0.00 C ATOM 1282 C HIS A 77 1.497 -0.183 -7.456 1.00 0.00 C ATOM 1283 O HIS A 77 2.137 -1.177 -7.811 1.00 0.00 O ATOM 1284 CB HIS A 77 1.895 0.882 -5.247 1.00 0.00 C ATOM 1285 CG HIS A 77 2.664 1.843 -4.389 1.00 0.00 C ATOM 1286 ND1 HIS A 77 2.331 2.060 -3.065 1.00 0.00 N ATOM 1287 CD2 HIS A 77 3.744 2.598 -4.700 1.00 0.00 C ATOM 1288 CE1 HIS A 77 3.218 2.938 -2.617 1.00 0.00 C ATOM 1289 NE2 HIS A 77 4.087 3.292 -3.570 1.00 0.00 N ATOM 0 H HIS A 77 1.336 2.886 -6.581 1.00 0.00 H new ATOM 0 HA HIS A 77 3.259 0.914 -6.918 1.00 0.00 H new ATOM 0 HB2 HIS A 77 0.830 1.048 -5.087 1.00 0.00 H new ATOM 0 HB3 HIS A 77 2.113 -0.133 -4.914 1.00 0.00 H new ATOM 0 HD1 HIS A 77 1.565 1.635 -2.543 1.00 0.00 H new ATOM 0 HD2 HIS A 77 4.241 2.644 -5.658 1.00 0.00 H new ATOM 0 HE1 HIS A 77 3.236 3.320 -1.607 1.00 0.00 H new ATOM 1297 N ILE A 78 0.190 -0.044 -7.662 1.00 0.00 N ATOM 1298 CA ILE A 78 -0.613 -1.088 -8.291 1.00 0.00 C ATOM 1299 C ILE A 78 -0.055 -1.459 -9.663 1.00 0.00 C ATOM 1300 O ILE A 78 0.001 -2.635 -10.026 1.00 0.00 O ATOM 1301 CB ILE A 78 -2.084 -0.640 -8.451 1.00 0.00 C ATOM 1302 CG1 ILE A 78 -2.658 -0.195 -7.107 1.00 0.00 C ATOM 1303 CG2 ILE A 78 -2.926 -1.766 -9.033 1.00 0.00 C ATOM 1304 CD1 ILE A 78 -4.069 0.354 -7.200 1.00 0.00 C ATOM 0 H ILE A 78 -0.338 0.788 -7.400 1.00 0.00 H new ATOM 0 HA ILE A 78 -0.572 -1.960 -7.638 1.00 0.00 H new ATOM 0 HB ILE A 78 -2.110 0.205 -9.139 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.651 -1.042 -6.421 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.008 0.568 -6.679 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -3.958 -1.432 -9.138 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -2.534 -2.046 -10.011 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -2.890 -2.629 -8.368 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -4.411 0.650 -6.208 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -4.079 1.221 -7.861 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -4.733 -0.414 -7.598 1.00 0.00 H new ATOM 1316 N GLU A 79 0.388 -0.448 -10.405 1.00 0.00 N ATOM 1317 CA GLU A 79 0.876 -0.639 -11.759 1.00 0.00 C ATOM 1318 C GLU A 79 2.069 -1.592 -11.801 1.00 0.00 C ATOM 1319 O GLU A 79 2.138 -2.463 -12.673 1.00 0.00 O ATOM 1320 CB GLU A 79 1.259 0.709 -12.366 1.00 0.00 C ATOM 1321 CG GLU A 79 1.782 0.599 -13.780 1.00 0.00 C ATOM 1322 CD GLU A 79 2.104 1.944 -14.389 1.00 0.00 C ATOM 1323 OE1 GLU A 79 3.026 2.618 -13.897 1.00 0.00 O ATOM 1324 OE2 GLU A 79 1.442 2.334 -15.374 1.00 0.00 O ATOM 0 H GLU A 79 0.417 0.519 -10.083 1.00 0.00 H new ATOM 0 HA GLU A 79 0.074 -1.089 -12.344 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.388 1.364 -12.358 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.018 1.179 -11.741 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.678 -0.021 -13.784 1.00 0.00 H new ATOM 0 HG3 GLU A 79 1.041 0.093 -14.399 1.00 0.00 H new ATOM 1331 N TRP A 80 2.987 -1.446 -10.850 1.00 0.00 N ATOM 1332 CA TRP A 80 4.190 -2.270 -10.827 1.00 0.00 C ATOM 1333 C TRP A 80 3.830 -3.744 -10.693 1.00 0.00 C ATOM 1334 O TRP A 80 4.345 -4.595 -11.420 1.00 0.00 O ATOM 1335 CB TRP A 80 5.099 -1.883 -9.657 1.00 0.00 C ATOM 1336 CG TRP A 80 5.523 -0.448 -9.644 1.00 0.00 C ATOM 1337 CD1 TRP A 80 5.705 0.373 -10.716 1.00 0.00 C ATOM 1338 CD2 TRP A 80 5.847 0.323 -8.484 1.00 0.00 C ATOM 1339 NE1 TRP A 80 6.108 1.616 -10.290 1.00 0.00 N ATOM 1340 CE2 TRP A 80 6.202 1.610 -8.925 1.00 0.00 C ATOM 1341 CE3 TRP A 80 5.860 0.053 -7.110 1.00 0.00 C ATOM 1342 CZ2 TRP A 80 6.573 2.620 -8.043 1.00 0.00 C ATOM 1343 CZ3 TRP A 80 6.231 1.056 -6.238 1.00 0.00 C ATOM 1344 CH2 TRP A 80 6.580 2.328 -6.708 1.00 0.00 C ATOM 0 H TRP A 80 2.921 -0.769 -10.090 1.00 0.00 H new ATOM 0 HA TRP A 80 4.716 -2.101 -11.767 1.00 0.00 H new ATOM 0 HB2 TRP A 80 4.581 -2.103 -8.724 1.00 0.00 H new ATOM 0 HB3 TRP A 80 5.990 -2.511 -9.683 1.00 0.00 H new ATOM 0 HD1 TRP A 80 5.555 0.089 -11.747 1.00 0.00 H new ATOM 0 HE1 TRP A 80 6.305 2.414 -10.894 1.00 0.00 H new ATOM 0 HE3 TRP A 80 5.584 -0.923 -6.739 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 6.846 3.602 -8.401 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 6.253 0.857 -5.177 1.00 0.00 H new ATOM 0 HH2 TRP A 80 6.861 3.094 -6.001 1.00 0.00 H new ATOM 1355 N HIS A 81 2.927 -4.032 -9.770 1.00 0.00 N ATOM 1356 CA HIS A 81 2.531 -5.404 -9.490 1.00 0.00 C ATOM 1357 C HIS A 81 1.700 -5.990 -10.629 1.00 0.00 C ATOM 1358 O HIS A 81 1.791 -7.186 -10.918 1.00 0.00 O ATOM 1359 CB HIS A 81 1.779 -5.475 -8.162 1.00 0.00 C ATOM 1360 CG HIS A 81 2.653 -5.158 -6.987 1.00 0.00 C ATOM 1361 ND1 HIS A 81 3.418 -6.096 -6.330 1.00 0.00 N ATOM 1362 CD2 HIS A 81 2.904 -3.975 -6.375 1.00 0.00 C ATOM 1363 CE1 HIS A 81 4.101 -5.468 -5.366 1.00 0.00 C ATOM 1364 NE2 HIS A 81 3.826 -4.179 -5.350 1.00 0.00 N ATOM 0 H HIS A 81 2.453 -3.332 -9.200 1.00 0.00 H new ATOM 0 HA HIS A 81 3.434 -6.009 -9.408 1.00 0.00 H new ATOM 0 HB2 HIS A 81 0.941 -4.778 -8.185 1.00 0.00 H new ATOM 0 HB3 HIS A 81 1.360 -6.474 -8.039 1.00 0.00 H new ATOM 0 HD1 HIS A 81 3.457 -7.093 -6.541 1.00 0.00 H new ATOM 0 HD2 HIS A 81 2.461 -3.026 -6.639 1.00 0.00 H new ATOM 0 HE1 HIS A 81 4.788 -5.954 -4.689 1.00 0.00 H new ATOM 1372 N LYS A 82 0.906 -5.147 -11.280 1.00 0.00 N ATOM 1373 CA LYS A 82 0.122 -5.574 -12.436 1.00 0.00 C ATOM 1374 C LYS A 82 1.040 -5.981 -13.583 1.00 0.00 C ATOM 1375 O LYS A 82 0.768 -6.947 -14.301 1.00 0.00 O ATOM 1376 CB LYS A 82 -0.825 -4.459 -12.892 1.00 0.00 C ATOM 1377 CG LYS A 82 -1.936 -4.151 -11.899 1.00 0.00 C ATOM 1378 CD LYS A 82 -2.799 -2.984 -12.362 1.00 0.00 C ATOM 1379 CE LYS A 82 -3.520 -3.297 -13.662 1.00 0.00 C ATOM 1380 NZ LYS A 82 -4.376 -2.167 -14.109 1.00 0.00 N ATOM 0 H LYS A 82 0.787 -4.166 -11.029 1.00 0.00 H new ATOM 0 HA LYS A 82 -0.475 -6.437 -12.140 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -0.246 -3.552 -13.067 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -1.271 -4.742 -13.846 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -2.560 -5.035 -11.766 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -1.501 -3.919 -10.927 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -3.530 -2.743 -11.590 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -2.174 -2.101 -12.496 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -2.788 -3.526 -14.437 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -4.134 -4.188 -13.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -4.850 -2.421 -14.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -5.091 -1.964 -13.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -3.787 -1.323 -14.260 1.00 0.00 H new ATOM 1394 N ALA A 83 2.137 -5.245 -13.742 1.00 0.00 N ATOM 1395 CA ALA A 83 3.110 -5.535 -14.784 1.00 0.00 C ATOM 1396 C ALA A 83 3.769 -6.891 -14.559 1.00 0.00 C ATOM 1397 O ALA A 83 4.034 -7.629 -15.508 1.00 0.00 O ATOM 1398 CB ALA A 83 4.158 -4.437 -14.850 1.00 0.00 C ATOM 0 H ALA A 83 2.372 -4.442 -13.159 1.00 0.00 H new ATOM 0 HA ALA A 83 2.583 -5.573 -15.737 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.879 -4.669 -15.634 1.00 0.00 H new ATOM 0 HB2 ALA A 83 3.675 -3.485 -15.071 1.00 0.00 H new ATOM 0 HB3 ALA A 83 4.674 -4.368 -13.892 1.00 0.00 H new ATOM 1404 N ALA A 84 4.033 -7.214 -13.300 1.00 0.00 N ATOM 1405 CA ALA A 84 4.591 -8.513 -12.947 1.00 0.00 C ATOM 1406 C ALA A 84 3.554 -9.615 -13.143 1.00 0.00 C ATOM 1407 O ALA A 84 3.887 -10.733 -13.540 1.00 0.00 O ATOM 1408 CB ALA A 84 5.089 -8.503 -11.512 1.00 0.00 C ATOM 0 H ALA A 84 3.870 -6.595 -12.506 1.00 0.00 H new ATOM 0 HA ALA A 84 5.435 -8.715 -13.606 1.00 0.00 H new ATOM 0 HB1 ALA A 84 5.503 -9.480 -11.264 1.00 0.00 H new ATOM 0 HB2 ALA A 84 5.862 -7.743 -11.400 1.00 0.00 H new ATOM 0 HB3 ALA A 84 4.260 -8.279 -10.841 1.00 0.00 H new ATOM 1485 N ALA A 90 12.799 -13.918 -7.720 1.00 0.00 N ATOM 1486 CA ALA A 90 12.659 -13.782 -6.270 1.00 0.00 C ATOM 1487 C ALA A 90 13.312 -12.502 -5.758 1.00 0.00 C ATOM 1488 O ALA A 90 12.702 -11.746 -5.002 1.00 0.00 O ATOM 1489 CB ALA A 90 13.252 -14.994 -5.568 1.00 0.00 C ATOM 0 HA ALA A 90 11.594 -13.723 -6.044 1.00 0.00 H new ATOM 0 HB1 ALA A 90 13.141 -14.880 -4.490 1.00 0.00 H new ATOM 0 HB2 ALA A 90 12.730 -15.894 -5.893 1.00 0.00 H new ATOM 0 HB3 ALA A 90 14.310 -15.077 -5.817 1.00 0.00 H new ATOM 1495 N GLU A 91 14.543 -12.257 -6.190 1.00 0.00 N ATOM 1496 CA GLU A 91 15.286 -11.079 -5.776 1.00 0.00 C ATOM 1497 C GLU A 91 14.582 -9.797 -6.217 1.00 0.00 C ATOM 1498 O GLU A 91 14.386 -8.877 -5.421 1.00 0.00 O ATOM 1499 CB GLU A 91 16.688 -11.140 -6.370 1.00 0.00 C ATOM 1500 CG GLU A 91 17.535 -12.276 -5.823 1.00 0.00 C ATOM 1501 CD GLU A 91 17.899 -12.091 -4.362 1.00 0.00 C ATOM 1502 OE1 GLU A 91 18.950 -11.476 -4.085 1.00 0.00 O ATOM 1503 OE2 GLU A 91 17.146 -12.570 -3.485 1.00 0.00 O ATOM 0 H GLU A 91 15.049 -12.866 -6.833 1.00 0.00 H new ATOM 0 HA GLU A 91 15.345 -11.066 -4.688 1.00 0.00 H new ATOM 0 HB2 GLU A 91 16.610 -11.245 -7.452 1.00 0.00 H new ATOM 0 HB3 GLU A 91 17.196 -10.195 -6.178 1.00 0.00 H new ATOM 0 HG2 GLU A 91 16.994 -13.215 -5.941 1.00 0.00 H new ATOM 0 HG3 GLU A 91 18.448 -12.358 -6.412 1.00 0.00 H new ATOM 1510 N GLN A 92 14.190 -9.755 -7.484 1.00 0.00 N ATOM 1511 CA GLN A 92 13.493 -8.595 -8.035 1.00 0.00 C ATOM 1512 C GLN A 92 12.156 -8.379 -7.337 1.00 0.00 C ATOM 1513 O GLN A 92 11.790 -7.248 -7.019 1.00 0.00 O ATOM 1514 CB GLN A 92 13.257 -8.762 -9.538 1.00 0.00 C ATOM 1515 CG GLN A 92 14.529 -8.774 -10.368 1.00 0.00 C ATOM 1516 CD GLN A 92 14.245 -8.814 -11.857 1.00 0.00 C ATOM 1517 OE1 GLN A 92 13.216 -8.321 -12.319 1.00 0.00 O ATOM 1518 NE2 GLN A 92 15.155 -9.394 -12.620 1.00 0.00 N ATOM 0 H GLN A 92 14.342 -10.511 -8.152 1.00 0.00 H new ATOM 0 HA GLN A 92 14.127 -7.725 -7.867 1.00 0.00 H new ATOM 0 HB2 GLN A 92 12.716 -9.693 -9.709 1.00 0.00 H new ATOM 0 HB3 GLN A 92 12.616 -7.952 -9.886 1.00 0.00 H new ATOM 0 HG2 GLN A 92 15.119 -7.887 -10.137 1.00 0.00 H new ATOM 0 HG3 GLN A 92 15.132 -9.639 -10.092 1.00 0.00 H new ATOM 0 HE21 GLN A 92 15.995 -9.791 -12.199 1.00 0.00 H new ATOM 0 HE22 GLN A 92 15.017 -9.444 -13.629 1.00 0.00 H new ATOM 1527 N PHE A 93 11.435 -9.467 -7.097 1.00 0.00 N ATOM 1528 CA PHE A 93 10.130 -9.398 -6.457 1.00 0.00 C ATOM 1529 C PHE A 93 10.265 -8.882 -5.030 1.00 0.00 C ATOM 1530 O PHE A 93 9.500 -8.022 -4.600 1.00 0.00 O ATOM 1531 CB PHE A 93 9.462 -10.775 -6.472 1.00 0.00 C ATOM 1532 CG PHE A 93 8.040 -10.768 -5.986 1.00 0.00 C ATOM 1533 CD1 PHE A 93 7.080 -10.000 -6.626 1.00 0.00 C ATOM 1534 CD2 PHE A 93 7.661 -11.537 -4.899 1.00 0.00 C ATOM 1535 CE1 PHE A 93 5.770 -9.999 -6.191 1.00 0.00 C ATOM 1536 CE2 PHE A 93 6.352 -11.541 -4.459 1.00 0.00 C ATOM 1537 CZ PHE A 93 5.405 -10.771 -5.105 1.00 0.00 C ATOM 0 H PHE A 93 11.735 -10.412 -7.338 1.00 0.00 H new ATOM 0 HA PHE A 93 9.502 -8.702 -7.014 1.00 0.00 H new ATOM 0 HB2 PHE A 93 9.486 -11.169 -7.488 1.00 0.00 H new ATOM 0 HB3 PHE A 93 10.044 -11.457 -5.852 1.00 0.00 H new ATOM 0 HD1 PHE A 93 7.360 -9.395 -7.475 1.00 0.00 H new ATOM 0 HD2 PHE A 93 8.397 -12.141 -4.389 1.00 0.00 H new ATOM 0 HE1 PHE A 93 5.032 -9.396 -6.699 1.00 0.00 H new ATOM 0 HE2 PHE A 93 6.069 -12.146 -3.610 1.00 0.00 H new ATOM 0 HZ PHE A 93 4.381 -10.772 -4.762 1.00 0.00 H new ATOM 1547 N ALA A 94 11.259 -9.395 -4.311 1.00 0.00 N ATOM 1548 CA ALA A 94 11.520 -8.960 -2.943 1.00 0.00 C ATOM 1549 C ALA A 94 11.946 -7.496 -2.910 1.00 0.00 C ATOM 1550 O ALA A 94 11.611 -6.763 -1.980 1.00 0.00 O ATOM 1551 CB ALA A 94 12.586 -9.835 -2.300 1.00 0.00 C ATOM 0 H ALA A 94 11.897 -10.113 -4.653 1.00 0.00 H new ATOM 0 HA ALA A 94 10.596 -9.060 -2.374 1.00 0.00 H new ATOM 0 HB1 ALA A 94 12.768 -9.496 -1.280 1.00 0.00 H new ATOM 0 HB2 ALA A 94 12.245 -10.870 -2.283 1.00 0.00 H new ATOM 0 HB3 ALA A 94 13.509 -9.766 -2.875 1.00 0.00 H new ATOM 1557 N SER A 95 12.686 -7.075 -3.929 1.00 0.00 N ATOM 1558 CA SER A 95 13.114 -5.687 -4.045 1.00 0.00 C ATOM 1559 C SER A 95 11.907 -4.791 -4.324 1.00 0.00 C ATOM 1560 O SER A 95 11.786 -3.703 -3.760 1.00 0.00 O ATOM 1561 CB SER A 95 14.164 -5.545 -5.153 1.00 0.00 C ATOM 1562 OG SER A 95 14.741 -4.249 -5.157 1.00 0.00 O ATOM 0 H SER A 95 13.003 -7.677 -4.689 1.00 0.00 H new ATOM 0 HA SER A 95 13.568 -5.375 -3.104 1.00 0.00 H new ATOM 0 HB2 SER A 95 14.945 -6.292 -5.014 1.00 0.00 H new ATOM 0 HB3 SER A 95 13.703 -5.743 -6.121 1.00 0.00 H new ATOM 0 HG SER A 95 15.407 -4.190 -5.873 1.00 0.00 H new ATOM 1568 N LEU A 96 11.007 -5.263 -5.185 1.00 0.00 N ATOM 1569 CA LEU A 96 9.770 -4.550 -5.475 1.00 0.00 C ATOM 1570 C LEU A 96 8.945 -4.394 -4.203 1.00 0.00 C ATOM 1571 O LEU A 96 8.442 -3.311 -3.899 1.00 0.00 O ATOM 1572 CB LEU A 96 8.963 -5.302 -6.538 1.00 0.00 C ATOM 1573 CG LEU A 96 7.626 -4.662 -6.932 1.00 0.00 C ATOM 1574 CD1 LEU A 96 7.839 -3.255 -7.468 1.00 0.00 C ATOM 1575 CD2 LEU A 96 6.912 -5.519 -7.966 1.00 0.00 C ATOM 0 H LEU A 96 11.115 -6.140 -5.694 1.00 0.00 H new ATOM 0 HA LEU A 96 10.017 -3.560 -5.858 1.00 0.00 H new ATOM 0 HB2 LEU A 96 9.577 -5.398 -7.434 1.00 0.00 H new ATOM 0 HB3 LEU A 96 8.769 -6.311 -6.174 1.00 0.00 H new ATOM 0 HG LEU A 96 7.002 -4.598 -6.040 1.00 0.00 H new ATOM 0 HD11 LEU A 96 6.877 -2.820 -7.741 1.00 0.00 H new ATOM 0 HD12 LEU A 96 8.310 -2.641 -6.701 1.00 0.00 H new ATOM 0 HD13 LEU A 96 8.482 -3.294 -8.347 1.00 0.00 H new ATOM 0 HD21 LEU A 96 5.965 -5.051 -8.235 1.00 0.00 H new ATOM 0 HD22 LEU A 96 7.536 -5.612 -8.855 1.00 0.00 H new ATOM 0 HD23 LEU A 96 6.723 -6.509 -7.550 1.00 0.00 H new ATOM 1587 N VAL A 97 8.827 -5.490 -3.466 1.00 0.00 N ATOM 1588 CA VAL A 97 8.137 -5.495 -2.184 1.00 0.00 C ATOM 1589 C VAL A 97 8.773 -4.497 -1.220 1.00 0.00 C ATOM 1590 O VAL A 97 8.074 -3.730 -0.563 1.00 0.00 O ATOM 1591 CB VAL A 97 8.138 -6.908 -1.553 1.00 0.00 C ATOM 1592 CG1 VAL A 97 7.608 -6.874 -0.128 1.00 0.00 C ATOM 1593 CG2 VAL A 97 7.315 -7.868 -2.403 1.00 0.00 C ATOM 0 H VAL A 97 9.205 -6.397 -3.739 1.00 0.00 H new ATOM 0 HA VAL A 97 7.104 -5.199 -2.368 1.00 0.00 H new ATOM 0 HB VAL A 97 9.168 -7.262 -1.520 1.00 0.00 H new ATOM 0 HG11 VAL A 97 7.621 -7.881 0.289 1.00 0.00 H new ATOM 0 HG12 VAL A 97 8.237 -6.222 0.479 1.00 0.00 H new ATOM 0 HG13 VAL A 97 6.586 -6.495 -0.129 1.00 0.00 H new ATOM 0 HG21 VAL A 97 7.325 -8.858 -1.947 1.00 0.00 H new ATOM 0 HG22 VAL A 97 6.288 -7.508 -2.467 1.00 0.00 H new ATOM 0 HG23 VAL A 97 7.742 -7.926 -3.404 1.00 0.00 H new ATOM 1603 N GLN A 98 10.099 -4.499 -1.158 1.00 0.00 N ATOM 1604 CA GLN A 98 10.829 -3.590 -0.282 1.00 0.00 C ATOM 1605 C GLN A 98 10.587 -2.131 -0.671 1.00 0.00 C ATOM 1606 O GLN A 98 10.344 -1.283 0.186 1.00 0.00 O ATOM 1607 CB GLN A 98 12.325 -3.898 -0.331 1.00 0.00 C ATOM 1608 CG GLN A 98 13.173 -2.947 0.496 1.00 0.00 C ATOM 1609 CD GLN A 98 14.653 -3.242 0.382 1.00 0.00 C ATOM 1610 OE1 GLN A 98 15.339 -2.719 -0.497 1.00 0.00 O ATOM 1611 NE2 GLN A 98 15.158 -4.072 1.276 1.00 0.00 N ATOM 0 H GLN A 98 10.693 -5.122 -1.706 1.00 0.00 H new ATOM 0 HA GLN A 98 10.462 -3.738 0.734 1.00 0.00 H new ATOM 0 HB2 GLN A 98 12.489 -4.916 0.021 1.00 0.00 H new ATOM 0 HB3 GLN A 98 12.660 -3.862 -1.367 1.00 0.00 H new ATOM 0 HG2 GLN A 98 12.984 -1.923 0.174 1.00 0.00 H new ATOM 0 HG3 GLN A 98 12.872 -3.013 1.542 1.00 0.00 H new ATOM 0 HE21 GLN A 98 14.555 -4.484 1.988 1.00 0.00 H new ATOM 0 HE22 GLN A 98 16.152 -4.302 1.255 1.00 0.00 H new ATOM 1620 N GLN A 99 10.651 -1.852 -1.968 1.00 0.00 N ATOM 1621 CA GLN A 99 10.437 -0.501 -2.473 1.00 0.00 C ATOM 1622 C GLN A 99 9.022 -0.033 -2.152 1.00 0.00 C ATOM 1623 O GLN A 99 8.807 1.117 -1.767 1.00 0.00 O ATOM 1624 CB GLN A 99 10.674 -0.458 -3.985 1.00 0.00 C ATOM 1625 CG GLN A 99 10.557 0.935 -4.584 1.00 0.00 C ATOM 1626 CD GLN A 99 10.702 0.928 -6.091 1.00 0.00 C ATOM 1627 OE1 GLN A 99 11.805 1.055 -6.623 1.00 0.00 O ATOM 1628 NE2 GLN A 99 9.591 0.772 -6.790 1.00 0.00 N ATOM 0 H GLN A 99 10.850 -2.545 -2.690 1.00 0.00 H new ATOM 0 HA GLN A 99 11.146 0.168 -1.986 1.00 0.00 H new ATOM 0 HB2 GLN A 99 11.667 -0.854 -4.199 1.00 0.00 H new ATOM 0 HB3 GLN A 99 9.956 -1.116 -4.475 1.00 0.00 H new ATOM 0 HG2 GLN A 99 9.591 1.363 -4.316 1.00 0.00 H new ATOM 0 HG3 GLN A 99 11.322 1.579 -4.151 1.00 0.00 H new ATOM 0 HE21 GLN A 99 8.697 0.670 -6.310 1.00 0.00 H new ATOM 0 HE22 GLN A 99 9.628 0.753 -7.809 1.00 0.00 H new ATOM 1637 N HIS A 100 8.068 -0.940 -2.309 1.00 0.00 N ATOM 1638 CA HIS A 100 6.676 -0.660 -1.991 1.00 0.00 C ATOM 1639 C HIS A 100 6.525 -0.445 -0.486 1.00 0.00 C ATOM 1640 O HIS A 100 5.849 0.484 -0.042 1.00 0.00 O ATOM 1641 CB HIS A 100 5.800 -1.830 -2.457 1.00 0.00 C ATOM 1642 CG HIS A 100 4.332 -1.530 -2.503 1.00 0.00 C ATOM 1643 ND1 HIS A 100 3.446 -2.193 -3.319 1.00 0.00 N ATOM 1644 CD2 HIS A 100 3.594 -0.630 -1.807 1.00 0.00 C ATOM 1645 CE1 HIS A 100 2.228 -1.690 -3.102 1.00 0.00 C ATOM 1646 NE2 HIS A 100 2.260 -0.731 -2.189 1.00 0.00 N ATOM 0 H HIS A 100 8.236 -1.884 -2.658 1.00 0.00 H new ATOM 0 HA HIS A 100 6.357 0.246 -2.506 1.00 0.00 H new ATOM 0 HB2 HIS A 100 6.126 -2.138 -3.451 1.00 0.00 H new ATOM 0 HB3 HIS A 100 5.964 -2.677 -1.791 1.00 0.00 H new ATOM 0 HD1 HIS A 100 3.678 -2.939 -3.975 1.00 0.00 H new ATOM 0 HD2 HIS A 100 3.982 0.058 -1.071 1.00 0.00 H new ATOM 0 HE1 HIS A 100 1.332 -2.022 -3.606 1.00 0.00 H new ATOM 0 HE2 HIS A 100 1.474 -0.183 -1.840 1.00 0.00 H new ATOM 1654 N LEU A 101 7.188 -1.300 0.284 1.00 0.00 N ATOM 1655 CA LEU A 101 7.137 -1.248 1.742 1.00 0.00 C ATOM 1656 C LEU A 101 7.571 0.118 2.252 1.00 0.00 C ATOM 1657 O LEU A 101 6.905 0.712 3.101 1.00 0.00 O ATOM 1658 CB LEU A 101 8.049 -2.331 2.329 1.00 0.00 C ATOM 1659 CG LEU A 101 8.094 -2.402 3.857 1.00 0.00 C ATOM 1660 CD1 LEU A 101 6.739 -2.806 4.414 1.00 0.00 C ATOM 1661 CD2 LEU A 101 9.173 -3.374 4.311 1.00 0.00 C ATOM 0 H LEU A 101 7.776 -2.048 -0.083 1.00 0.00 H new ATOM 0 HA LEU A 101 6.108 -1.423 2.057 1.00 0.00 H new ATOM 0 HB2 LEU A 101 7.725 -3.299 1.948 1.00 0.00 H new ATOM 0 HB3 LEU A 101 9.062 -2.166 1.961 1.00 0.00 H new ATOM 0 HG LEU A 101 8.338 -1.412 4.242 1.00 0.00 H new ATOM 0 HD11 LEU A 101 6.791 -2.851 5.502 1.00 0.00 H new ATOM 0 HD12 LEU A 101 5.990 -2.072 4.117 1.00 0.00 H new ATOM 0 HD13 LEU A 101 6.462 -3.785 4.023 1.00 0.00 H new ATOM 0 HD21 LEU A 101 9.192 -3.413 5.400 1.00 0.00 H new ATOM 0 HD22 LEU A 101 8.958 -4.367 3.916 1.00 0.00 H new ATOM 0 HD23 LEU A 101 10.143 -3.039 3.943 1.00 0.00 H new ATOM 1673 N GLN A 102 8.670 0.616 1.707 1.00 0.00 N ATOM 1674 CA GLN A 102 9.227 1.886 2.110 1.00 0.00 C ATOM 1675 C GLN A 102 8.211 3.013 1.961 1.00 0.00 C ATOM 1676 O GLN A 102 8.051 3.835 2.863 1.00 0.00 O ATOM 1677 CB GLN A 102 10.448 2.162 1.248 1.00 0.00 C ATOM 1678 CG GLN A 102 11.765 2.087 1.996 1.00 0.00 C ATOM 1679 CD GLN A 102 11.989 3.277 2.910 1.00 0.00 C ATOM 1680 OE1 GLN A 102 11.050 3.862 3.441 1.00 0.00 O ATOM 1681 NE2 GLN A 102 13.243 3.650 3.096 1.00 0.00 N ATOM 0 H GLN A 102 9.198 0.145 0.972 1.00 0.00 H new ATOM 0 HA GLN A 102 9.504 1.840 3.163 1.00 0.00 H new ATOM 0 HB2 GLN A 102 10.468 1.446 0.426 1.00 0.00 H new ATOM 0 HB3 GLN A 102 10.350 3.153 0.805 1.00 0.00 H new ATOM 0 HG2 GLN A 102 11.791 1.171 2.586 1.00 0.00 H new ATOM 0 HG3 GLN A 102 12.583 2.027 1.278 1.00 0.00 H new ATOM 0 HE21 GLN A 102 14.000 3.141 2.639 1.00 0.00 H new ATOM 0 HE22 GLN A 102 13.454 4.447 3.697 1.00 0.00 H new ATOM 1690 N ASP A 103 7.501 3.031 0.841 1.00 0.00 N ATOM 1691 CA ASP A 103 6.553 4.106 0.577 1.00 0.00 C ATOM 1692 C ASP A 103 5.381 4.030 1.543 1.00 0.00 C ATOM 1693 O ASP A 103 4.905 5.050 2.039 1.00 0.00 O ATOM 1694 CB ASP A 103 6.035 4.056 -0.856 1.00 0.00 C ATOM 1695 CG ASP A 103 5.603 5.423 -1.346 1.00 0.00 C ATOM 1696 OD1 ASP A 103 6.489 6.261 -1.625 1.00 0.00 O ATOM 1697 OD2 ASP A 103 4.389 5.660 -1.468 1.00 0.00 O ATOM 0 H ASP A 103 7.561 2.323 0.109 1.00 0.00 H new ATOM 0 HA ASP A 103 7.082 5.049 0.719 1.00 0.00 H new ATOM 0 HB2 ASP A 103 6.814 3.665 -1.511 1.00 0.00 H new ATOM 0 HB3 ASP A 103 5.193 3.366 -0.914 1.00 0.00 H new ATOM 1702 N GLU A 104 4.936 2.813 1.828 1.00 0.00 N ATOM 1703 CA GLU A 104 3.816 2.609 2.735 1.00 0.00 C ATOM 1704 C GLU A 104 4.179 3.033 4.150 1.00 0.00 C ATOM 1705 O GLU A 104 3.350 3.590 4.875 1.00 0.00 O ATOM 1706 CB GLU A 104 3.361 1.146 2.725 1.00 0.00 C ATOM 1707 CG GLU A 104 2.934 0.640 1.354 1.00 0.00 C ATOM 1708 CD GLU A 104 1.840 1.479 0.714 1.00 0.00 C ATOM 1709 OE1 GLU A 104 1.343 2.439 1.358 1.00 0.00 O ATOM 1710 OE2 GLU A 104 1.469 1.193 -0.447 1.00 0.00 O ATOM 0 H GLU A 104 5.333 1.955 1.445 1.00 0.00 H new ATOM 0 HA GLU A 104 2.991 3.231 2.386 1.00 0.00 H new ATOM 0 HB2 GLU A 104 4.174 0.521 3.095 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.529 1.030 3.419 1.00 0.00 H new ATOM 0 HG2 GLU A 104 3.802 0.624 0.695 1.00 0.00 H new ATOM 0 HG3 GLU A 104 2.585 -0.388 1.447 1.00 0.00 H new ATOM 1717 N GLN A 105 5.422 2.788 4.539 1.00 0.00 N ATOM 1718 CA GLN A 105 5.891 3.172 5.848 1.00 0.00 C ATOM 1719 C GLN A 105 5.921 4.690 5.981 1.00 0.00 C ATOM 1720 O GLN A 105 5.611 5.227 7.038 1.00 0.00 O ATOM 1721 CB GLN A 105 7.266 2.572 6.113 1.00 0.00 C ATOM 1722 CG GLN A 105 7.267 1.051 6.101 1.00 0.00 C ATOM 1723 CD GLN A 105 8.557 0.457 6.626 1.00 0.00 C ATOM 1724 OE1 GLN A 105 9.507 0.233 5.878 1.00 0.00 O ATOM 1725 NE2 GLN A 105 8.590 0.178 7.922 1.00 0.00 N ATOM 0 H GLN A 105 6.121 2.323 3.959 1.00 0.00 H new ATOM 0 HA GLN A 105 5.200 2.783 6.596 1.00 0.00 H new ATOM 0 HB2 GLN A 105 7.965 2.936 5.360 1.00 0.00 H new ATOM 0 HB3 GLN A 105 7.628 2.922 7.080 1.00 0.00 H new ATOM 0 HG2 GLN A 105 6.434 0.688 6.703 1.00 0.00 H new ATOM 0 HG3 GLN A 105 7.100 0.701 5.082 1.00 0.00 H new ATOM 0 HE21 GLN A 105 7.780 0.380 8.508 1.00 0.00 H new ATOM 0 HE22 GLN A 105 9.426 -0.238 8.333 1.00 0.00 H new ATOM 1734 N ARG A 106 6.262 5.376 4.891 1.00 0.00 N ATOM 1735 CA ARG A 106 6.245 6.839 4.861 1.00 0.00 C ATOM 1736 C ARG A 106 4.830 7.357 5.091 1.00 0.00 C ATOM 1737 O ARG A 106 4.629 8.377 5.748 1.00 0.00 O ATOM 1738 CB ARG A 106 6.741 7.353 3.510 1.00 0.00 C ATOM 1739 CG ARG A 106 8.140 6.899 3.141 1.00 0.00 C ATOM 1740 CD ARG A 106 8.446 7.215 1.686 1.00 0.00 C ATOM 1741 NE ARG A 106 9.788 6.787 1.304 1.00 0.00 N ATOM 1742 CZ ARG A 106 10.097 6.238 0.128 1.00 0.00 C ATOM 1743 NH1 ARG A 106 9.157 6.024 -0.786 1.00 0.00 N ATOM 1744 NH2 ARG A 106 11.354 5.911 -0.137 1.00 0.00 N ATOM 0 H ARG A 106 6.554 4.942 4.015 1.00 0.00 H new ATOM 0 HA ARG A 106 6.903 7.198 5.653 1.00 0.00 H new ATOM 0 HB2 ARG A 106 6.049 7.025 2.734 1.00 0.00 H new ATOM 0 HB3 ARG A 106 6.716 8.443 3.519 1.00 0.00 H new ATOM 0 HG2 ARG A 106 8.868 7.391 3.785 1.00 0.00 H new ATOM 0 HG3 ARG A 106 8.236 5.827 3.313 1.00 0.00 H new ATOM 0 HD2 ARG A 106 7.713 6.723 1.046 1.00 0.00 H new ATOM 0 HD3 ARG A 106 8.346 8.288 1.519 1.00 0.00 H new ATOM 0 HE ARG A 106 10.540 6.916 1.981 1.00 0.00 H new ATOM 0 HH11 ARG A 106 8.189 6.280 -0.592 1.00 0.00 H new ATOM 0 HH12 ARG A 106 9.403 5.604 -1.682 1.00 0.00 H new ATOM 0 HH21 ARG A 106 12.082 6.079 0.557 1.00 0.00 H new ATOM 0 HH22 ARG A 106 11.593 5.491 -1.035 1.00 0.00 H new ATOM 1758 N HIS A 107 3.852 6.647 4.543 1.00 0.00 N ATOM 1759 CA HIS A 107 2.453 7.013 4.723 1.00 0.00 C ATOM 1760 C HIS A 107 2.073 6.889 6.197 1.00 0.00 C ATOM 1761 O HIS A 107 1.393 7.751 6.744 1.00 0.00 O ATOM 1762 CB HIS A 107 1.542 6.136 3.847 1.00 0.00 C ATOM 1763 CG HIS A 107 1.814 6.257 2.369 1.00 0.00 C ATOM 1764 ND1 HIS A 107 1.397 5.299 1.463 1.00 0.00 N ATOM 1765 CD2 HIS A 107 2.469 7.239 1.699 1.00 0.00 C ATOM 1766 CE1 HIS A 107 1.815 5.734 0.273 1.00 0.00 C ATOM 1767 NE2 HIS A 107 2.468 6.896 0.371 1.00 0.00 N ATOM 0 H HIS A 107 4.001 5.816 3.971 1.00 0.00 H new ATOM 0 HA HIS A 107 2.316 8.048 4.411 1.00 0.00 H new ATOM 0 HB2 HIS A 107 1.662 5.094 4.144 1.00 0.00 H new ATOM 0 HB3 HIS A 107 0.503 6.404 4.038 1.00 0.00 H new ATOM 0 HD1 HIS A 107 0.880 4.443 1.662 1.00 0.00 H new ATOM 0 HD2 HIS A 107 2.909 8.126 2.131 1.00 0.00 H new ATOM 0 HE1 HIS A 107 1.646 5.211 -0.657 1.00 0.00 H new ATOM 1775 N VAL A 108 2.543 5.820 6.837 1.00 0.00 N ATOM 1776 CA VAL A 108 2.345 5.632 8.273 1.00 0.00 C ATOM 1777 C VAL A 108 3.073 6.726 9.056 1.00 0.00 C ATOM 1778 O VAL A 108 2.553 7.254 10.042 1.00 0.00 O ATOM 1779 CB VAL A 108 2.853 4.243 8.732 1.00 0.00 C ATOM 1780 CG1 VAL A 108 2.682 4.066 10.236 1.00 0.00 C ATOM 1781 CG2 VAL A 108 2.130 3.136 7.980 1.00 0.00 C ATOM 0 H VAL A 108 3.064 5.070 6.383 1.00 0.00 H new ATOM 0 HA VAL A 108 1.275 5.693 8.471 1.00 0.00 H new ATOM 0 HB VAL A 108 3.917 4.181 8.504 1.00 0.00 H new ATOM 0 HG11 VAL A 108 3.047 3.082 10.530 1.00 0.00 H new ATOM 0 HG12 VAL A 108 3.250 4.835 10.760 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.627 4.154 10.495 1.00 0.00 H new ATOM 0 HG21 VAL A 108 2.500 2.167 8.315 1.00 0.00 H new ATOM 0 HG22 VAL A 108 1.060 3.203 8.174 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.312 3.244 6.911 1.00 0.00 H new ATOM 1791 N GLU A 109 4.271 7.065 8.589 1.00 0.00 N ATOM 1792 CA GLU A 109 5.080 8.116 9.187 1.00 0.00 C ATOM 1793 C GLU A 109 4.315 9.442 9.220 1.00 0.00 C ATOM 1794 O GLU A 109 4.307 10.147 10.233 1.00 0.00 O ATOM 1795 CB GLU A 109 6.371 8.275 8.374 1.00 0.00 C ATOM 1796 CG GLU A 109 7.355 7.121 8.519 1.00 0.00 C ATOM 1797 CD GLU A 109 7.911 6.974 9.920 1.00 0.00 C ATOM 1798 OE1 GLU A 109 8.459 7.963 10.454 1.00 0.00 O ATOM 1799 OE2 GLU A 109 7.844 5.860 10.480 1.00 0.00 O ATOM 0 H GLU A 109 4.707 6.616 7.783 1.00 0.00 H new ATOM 0 HA GLU A 109 5.319 7.840 10.214 1.00 0.00 H new ATOM 0 HB2 GLU A 109 6.111 8.384 7.321 1.00 0.00 H new ATOM 0 HB3 GLU A 109 6.865 9.198 8.678 1.00 0.00 H new ATOM 0 HG2 GLU A 109 6.859 6.193 8.234 1.00 0.00 H new ATOM 0 HG3 GLU A 109 8.180 7.268 7.823 1.00 0.00 H new ATOM 1806 N GLU A 110 3.670 9.765 8.107 1.00 0.00 N ATOM 1807 CA GLU A 110 2.902 10.993 7.983 1.00 0.00 C ATOM 1808 C GLU A 110 1.614 10.963 8.808 1.00 0.00 C ATOM 1809 O GLU A 110 1.146 12.004 9.270 1.00 0.00 O ATOM 1810 CB GLU A 110 2.584 11.256 6.513 1.00 0.00 C ATOM 1811 CG GLU A 110 3.620 12.118 5.813 1.00 0.00 C ATOM 1812 CD GLU A 110 3.842 13.445 6.519 1.00 0.00 C ATOM 1813 OE1 GLU A 110 2.982 14.343 6.396 1.00 0.00 O ATOM 1814 OE2 GLU A 110 4.876 13.593 7.203 1.00 0.00 O ATOM 0 H GLU A 110 3.665 9.184 7.268 1.00 0.00 H new ATOM 0 HA GLU A 110 3.513 11.804 8.379 1.00 0.00 H new ATOM 0 HB2 GLU A 110 2.504 10.303 5.991 1.00 0.00 H new ATOM 0 HB3 GLU A 110 1.611 11.742 6.441 1.00 0.00 H new ATOM 0 HG2 GLU A 110 4.564 11.576 5.760 1.00 0.00 H new ATOM 0 HG3 GLU A 110 3.301 12.304 4.787 1.00 0.00 H new ATOM 1821 N ILE A 111 1.032 9.783 8.977 1.00 0.00 N ATOM 1822 CA ILE A 111 -0.216 9.652 9.726 1.00 0.00 C ATOM 1823 C ILE A 111 0.003 9.832 11.232 1.00 0.00 C ATOM 1824 O ILE A 111 -0.701 10.608 11.872 1.00 0.00 O ATOM 1825 CB ILE A 111 -0.904 8.293 9.452 1.00 0.00 C ATOM 1826 CG1 ILE A 111 -1.374 8.227 7.993 1.00 0.00 C ATOM 1827 CG2 ILE A 111 -2.079 8.083 10.402 1.00 0.00 C ATOM 1828 CD1 ILE A 111 -2.015 6.907 7.616 1.00 0.00 C ATOM 0 H ILE A 111 1.400 8.906 8.609 1.00 0.00 H new ATOM 0 HA ILE A 111 -0.872 10.449 9.378 1.00 0.00 H new ATOM 0 HB ILE A 111 -0.181 7.496 9.625 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -2.088 9.031 7.814 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -0.521 8.406 7.338 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -2.549 7.122 10.193 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -1.721 8.095 11.432 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -2.808 8.881 10.261 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -2.321 6.937 6.570 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -1.297 6.099 7.761 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -2.888 6.734 8.245 1.00 0.00 H new ATOM 1840 N GLU A 112 0.988 9.134 11.786 1.00 0.00 N ATOM 1841 CA GLU A 112 1.200 9.125 13.223 1.00 0.00 C ATOM 1842 C GLU A 112 1.648 10.490 13.750 1.00 0.00 C ATOM 1843 O GLU A 112 1.043 11.007 14.688 1.00 0.00 O ATOM 1844 CB GLU A 112 2.236 8.060 13.562 1.00 0.00 C ATOM 1845 CG GLU A 112 1.681 6.643 13.552 1.00 0.00 C ATOM 1846 CD GLU A 112 0.763 6.368 14.727 1.00 0.00 C ATOM 1847 OE1 GLU A 112 -0.441 6.689 14.645 1.00 0.00 O ATOM 1848 OE2 GLU A 112 1.243 5.823 15.746 1.00 0.00 O ATOM 0 H GLU A 112 1.652 8.567 11.258 1.00 0.00 H new ATOM 0 HA GLU A 112 0.251 8.896 13.708 1.00 0.00 H new ATOM 0 HB2 GLU A 112 3.057 8.124 12.848 1.00 0.00 H new ATOM 0 HB3 GLU A 112 2.652 8.271 14.547 1.00 0.00 H new ATOM 0 HG2 GLU A 112 1.136 6.477 12.623 1.00 0.00 H new ATOM 0 HG3 GLU A 112 2.508 5.933 13.568 1.00 0.00 H new