USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 753 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 22 MET CE :methyl -136:sc= -0.583 (180deg=-2.08) USER MOD Set 1.2: A 104 ASN :FLIP amide:sc= -1.84! C(o=-4.2!,f=-2.4!) USER MOD Set 2.1: A 35 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 37 MET CE :methyl -126:sc= -2.06 (180deg=-4.77!) USER MOD Set 3.1: A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 38 TYR OH : rot 144:sc= 1.28 USER MOD Set 4.1: A 18 HIS : no HD1:sc= 0.873 K(o=2.2,f=-6.2!) USER MOD Set 4.2: A 81 TYR OH : rot 44:sc= 1.29 USER MOD Single : A 14 CYS SG : rot 79:sc= 0.0958 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 163:sc= 0.477 (180deg=0.335) USER MOD Single : A 34 SER OG : rot -116:sc= 0.885 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 13:sc= 0.121! USER MOD Single : A 40 SER OG : rot 8:sc= -1.53 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -1.29 X(o=-1.3,f=-1.6) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0.188 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0.0024) USER MOD Single : A 75 LYS NZ :NH3+ -167:sc= 1.3 (180deg=1.15) USER MOD Single : A 76 CYS SG : rot 84:sc= -0.0255 USER MOD Single : A 80 HIS : no HE2:sc= 0.693 K(o=0.69,f=-5.2!) USER MOD Single : A 82 GLN : amide:sc= -1.52! C(o=-1.5!,f=-2.3!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0.0659 USER MOD Single : A 87 SER OG : rot 180:sc= 0.109 USER MOD Single : A 94 TYR OH : rot 180:sc= -0.437 USER MOD Single : A 100 TYR OH : rot 44:sc= 1.29 USER MOD Single : A 101 ASN : amide:sc= 0.306 K(o=0.31,f=-7.5!) USER MOD Single : A 107 MET CE :methyl -168:sc= -0.0592 (180deg=-0.334) USER MOD Single : A 108 LYS NZ :NH3+ -105:sc= 1.1 (180deg=-0.196) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 ASN : amide:sc= -0.238 K(o=-0.24,f=-1.3!) USER MOD ----------------------------------------------------------------- ATOM 97 N GLU A 7 -6.619 14.478 4.041 1.00 0.00 N ATOM 98 CA GLU A 7 -6.564 13.325 4.935 1.00 0.00 C ATOM 99 C GLU A 7 -5.745 12.203 4.321 1.00 0.00 C ATOM 100 O GLU A 7 -5.364 11.244 4.993 1.00 0.00 O ATOM 101 CB GLU A 7 -7.981 12.840 5.218 1.00 0.00 C ATOM 102 CG GLU A 7 -9.035 13.777 4.662 1.00 0.00 C ATOM 103 CD GLU A 7 -9.339 14.939 5.586 1.00 0.00 C ATOM 104 OE1 GLU A 7 -9.326 16.093 5.109 1.00 0.00 O ATOM 105 OE2 GLU A 7 -9.566 14.711 6.796 1.00 0.00 O ATOM 0 HA GLU A 7 -6.084 13.625 5.867 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.116 11.849 4.786 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.119 12.740 6.295 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -8.699 14.163 3.700 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.952 13.216 4.478 1.00 0.00 H new ATOM 112 N PHE A 8 -5.443 12.359 3.046 1.00 0.00 N ATOM 113 CA PHE A 8 -4.686 11.382 2.299 1.00 0.00 C ATOM 114 C PHE A 8 -3.431 12.080 1.887 1.00 0.00 C ATOM 115 O PHE A 8 -3.260 12.453 0.729 1.00 0.00 O ATOM 116 CB PHE A 8 -5.415 10.899 1.040 1.00 0.00 C ATOM 117 CG PHE A 8 -6.915 10.913 1.103 1.00 0.00 C ATOM 118 CD1 PHE A 8 -7.629 9.730 1.074 1.00 0.00 C ATOM 119 CD2 PHE A 8 -7.609 12.106 1.158 1.00 0.00 C ATOM 120 CE1 PHE A 8 -9.005 9.740 1.099 1.00 0.00 C ATOM 121 CE2 PHE A 8 -8.984 12.119 1.191 1.00 0.00 C ATOM 122 CZ PHE A 8 -9.685 10.939 1.158 1.00 0.00 C ATOM 0 H PHE A 8 -5.720 13.174 2.499 1.00 0.00 H new ATOM 0 HA PHE A 8 -4.516 10.500 2.916 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -5.100 11.520 0.201 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -5.090 9.882 0.823 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -7.102 8.788 1.031 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -7.066 13.039 1.175 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -9.552 8.809 1.072 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -9.513 13.059 1.243 1.00 0.00 H new ATOM 0 HZ PHE A 8 -10.765 10.949 1.178 1.00 0.00 H new ATOM 132 N ALA A 9 -2.582 12.311 2.848 1.00 0.00 N ATOM 133 CA ALA A 9 -1.382 13.019 2.598 1.00 0.00 C ATOM 134 C ALA A 9 -0.285 12.547 3.522 1.00 0.00 C ATOM 135 O ALA A 9 -0.289 11.403 3.988 1.00 0.00 O ATOM 136 CB ALA A 9 -1.649 14.505 2.749 1.00 0.00 C ATOM 0 H ALA A 9 -2.710 12.012 3.815 1.00 0.00 H new ATOM 0 HA ALA A 9 -1.041 12.828 1.580 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.731 15.061 2.559 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.414 14.812 2.035 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.995 14.711 3.762 1.00 0.00 H new ATOM 142 N LEU A 10 0.614 13.446 3.806 1.00 0.00 N ATOM 143 CA LEU A 10 1.783 13.147 4.609 1.00 0.00 C ATOM 144 C LEU A 10 1.440 12.681 6.020 1.00 0.00 C ATOM 145 O LEU A 10 0.971 13.458 6.853 1.00 0.00 O ATOM 146 CB LEU A 10 2.689 14.363 4.652 1.00 0.00 C ATOM 147 CG LEU A 10 3.628 14.503 3.450 1.00 0.00 C ATOM 148 CD1 LEU A 10 3.010 15.388 2.382 1.00 0.00 C ATOM 149 CD2 LEU A 10 4.975 15.049 3.890 1.00 0.00 C ATOM 0 H LEU A 10 0.563 14.414 3.489 1.00 0.00 H new ATOM 0 HA LEU A 10 2.299 12.312 4.134 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.071 15.258 4.719 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.288 14.321 5.561 1.00 0.00 H new ATOM 0 HG LEU A 10 3.783 13.514 3.019 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.695 15.473 1.538 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.071 14.949 2.044 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.820 16.378 2.796 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.630 15.142 3.024 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.838 16.028 4.349 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.425 14.369 4.613 1.00 0.00 H new ATOM 161 N GLY A 11 1.681 11.397 6.272 1.00 0.00 N ATOM 162 CA GLY A 11 1.428 10.814 7.575 1.00 0.00 C ATOM 163 C GLY A 11 -0.041 10.718 7.899 1.00 0.00 C ATOM 164 O GLY A 11 -0.413 10.476 9.047 1.00 0.00 O ATOM 0 H GLY A 11 2.053 10.743 5.584 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.869 9.818 7.614 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.925 11.413 8.338 1.00 0.00 H new ATOM 168 N GLY A 12 -0.874 10.895 6.885 1.00 0.00 N ATOM 169 CA GLY A 12 -2.298 10.831 7.081 1.00 0.00 C ATOM 170 C GLY A 12 -2.763 9.420 7.337 1.00 0.00 C ATOM 171 O GLY A 12 -2.210 8.464 6.784 1.00 0.00 O ATOM 0 H GLY A 12 -0.582 11.083 5.926 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -2.578 11.465 7.922 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -2.805 11.227 6.201 1.00 0.00 H new ATOM 175 N ARG A 13 -3.760 9.286 8.188 1.00 0.00 N ATOM 176 CA ARG A 13 -4.313 7.987 8.508 1.00 0.00 C ATOM 177 C ARG A 13 -5.547 7.771 7.661 1.00 0.00 C ATOM 178 O ARG A 13 -6.537 8.485 7.804 1.00 0.00 O ATOM 179 CB ARG A 13 -4.657 7.880 9.998 1.00 0.00 C ATOM 180 CG ARG A 13 -5.246 6.533 10.391 1.00 0.00 C ATOM 181 CD ARG A 13 -4.763 6.084 11.761 1.00 0.00 C ATOM 182 NE ARG A 13 -5.263 6.936 12.840 1.00 0.00 N ATOM 183 CZ ARG A 13 -4.487 7.482 13.775 1.00 0.00 C ATOM 184 NH1 ARG A 13 -3.176 7.272 13.760 1.00 0.00 N ATOM 185 NH2 ARG A 13 -5.025 8.225 14.735 1.00 0.00 N ATOM 0 H ARG A 13 -4.205 10.066 8.672 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.572 7.217 8.293 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -3.756 8.058 10.584 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -5.366 8.667 10.256 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -6.334 6.599 10.393 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -4.973 5.786 9.646 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -5.083 5.057 11.936 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -3.673 6.086 11.777 1.00 0.00 H new ATOM 0 HE ARG A 13 -6.265 7.123 12.879 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -2.761 6.691 13.031 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -2.584 7.691 14.477 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -6.033 8.378 14.757 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -4.430 8.643 15.451 1.00 0.00 H new ATOM 199 N CYS A 14 -5.473 6.809 6.767 1.00 0.00 N ATOM 200 CA CYS A 14 -6.575 6.516 5.877 1.00 0.00 C ATOM 201 C CYS A 14 -6.813 5.023 5.780 1.00 0.00 C ATOM 202 O CYS A 14 -6.065 4.218 6.344 1.00 0.00 O ATOM 203 CB CYS A 14 -6.299 7.100 4.488 1.00 0.00 C ATOM 204 SG CYS A 14 -6.827 8.817 4.302 1.00 0.00 S ATOM 0 H CYS A 14 -4.655 6.213 6.637 1.00 0.00 H new ATOM 0 HA CYS A 14 -7.475 6.977 6.285 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -5.231 7.034 4.282 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -6.806 6.490 3.740 1.00 0.00 H new ATOM 0 HG CYS A 14 -5.945 9.603 4.843 1.00 0.00 H new ATOM 210 N LEU A 15 -7.877 4.666 5.087 1.00 0.00 N ATOM 211 CA LEU A 15 -8.234 3.277 4.886 1.00 0.00 C ATOM 212 C LEU A 15 -7.891 2.888 3.462 1.00 0.00 C ATOM 213 O LEU A 15 -7.979 3.716 2.559 1.00 0.00 O ATOM 214 CB LEU A 15 -9.719 3.049 5.164 1.00 0.00 C ATOM 215 CG LEU A 15 -10.095 3.007 6.643 1.00 0.00 C ATOM 216 CD1 LEU A 15 -11.581 2.754 6.811 1.00 0.00 C ATOM 217 CD2 LEU A 15 -9.287 1.941 7.357 1.00 0.00 C ATOM 0 H LEU A 15 -8.516 5.329 4.649 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.672 2.654 5.582 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -10.290 3.842 4.681 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -10.021 2.110 4.700 1.00 0.00 H new ATOM 0 HG LEU A 15 -9.865 3.975 7.088 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -11.828 2.728 7.872 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -12.143 3.553 6.327 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -11.841 1.799 6.354 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -9.563 1.920 8.411 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -9.491 0.969 6.909 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.225 2.167 7.265 1.00 0.00 H new ATOM 229 N ALA A 16 -7.508 1.648 3.249 1.00 0.00 N ATOM 230 CA ALA A 16 -7.132 1.216 1.920 1.00 0.00 C ATOM 231 C ALA A 16 -7.650 -0.181 1.668 1.00 0.00 C ATOM 232 O ALA A 16 -7.741 -0.987 2.593 1.00 0.00 O ATOM 233 CB ALA A 16 -5.622 1.293 1.744 1.00 0.00 C ATOM 0 H ALA A 16 -7.449 0.928 3.969 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.583 1.882 1.184 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.356 0.965 0.739 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.291 2.321 1.890 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.137 0.648 2.477 1.00 0.00 H new ATOM 239 N PHE A 17 -7.998 -0.460 0.427 1.00 0.00 N ATOM 240 CA PHE A 17 -8.544 -1.756 0.075 1.00 0.00 C ATOM 241 C PHE A 17 -7.471 -2.739 -0.362 1.00 0.00 C ATOM 242 O PHE A 17 -6.936 -2.656 -1.468 1.00 0.00 O ATOM 243 CB PHE A 17 -9.594 -1.609 -1.024 1.00 0.00 C ATOM 244 CG PHE A 17 -10.992 -1.461 -0.493 1.00 0.00 C ATOM 245 CD1 PHE A 17 -11.686 -2.565 -0.036 1.00 0.00 C ATOM 246 CD2 PHE A 17 -11.608 -0.220 -0.445 1.00 0.00 C ATOM 247 CE1 PHE A 17 -12.970 -2.443 0.458 1.00 0.00 C ATOM 248 CE2 PHE A 17 -12.896 -0.089 0.046 1.00 0.00 C ATOM 249 CZ PHE A 17 -13.575 -1.204 0.500 1.00 0.00 C ATOM 0 H PHE A 17 -7.913 0.192 -0.353 1.00 0.00 H new ATOM 0 HA PHE A 17 -9.009 -2.160 0.974 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -9.351 -0.740 -1.636 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -9.551 -2.481 -1.677 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -11.217 -3.538 -0.066 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -11.078 0.654 -0.794 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -13.499 -3.316 0.811 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -13.369 0.882 0.074 1.00 0.00 H new ATOM 0 HZ PHE A 17 -14.578 -1.105 0.887 1.00 0.00 H new ATOM 259 N HIS A 18 -7.156 -3.660 0.529 1.00 0.00 N ATOM 260 CA HIS A 18 -6.199 -4.701 0.244 1.00 0.00 C ATOM 261 C HIS A 18 -6.982 -5.974 -0.003 1.00 0.00 C ATOM 262 O HIS A 18 -7.512 -6.591 0.929 1.00 0.00 O ATOM 263 CB HIS A 18 -5.213 -4.887 1.397 1.00 0.00 C ATOM 264 CG HIS A 18 -3.979 -5.644 0.999 1.00 0.00 C ATOM 265 ND1 HIS A 18 -2.800 -4.994 0.721 1.00 0.00 N ATOM 266 CD2 HIS A 18 -3.794 -6.979 0.836 1.00 0.00 C ATOM 267 CE1 HIS A 18 -1.933 -5.931 0.387 1.00 0.00 C ATOM 268 NE2 HIS A 18 -2.489 -7.151 0.441 1.00 0.00 N ATOM 0 H HIS A 18 -7.557 -3.704 1.466 1.00 0.00 H new ATOM 0 HA HIS A 18 -5.606 -4.434 -0.631 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -4.924 -3.909 1.782 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -5.710 -5.415 2.211 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -4.530 -7.755 0.987 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -0.908 -5.740 0.106 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -2.030 -8.037 0.229 1.00 0.00 H new ATOM 276 N GLY A 19 -7.103 -6.328 -1.267 1.00 0.00 N ATOM 277 CA GLY A 19 -7.852 -7.501 -1.624 1.00 0.00 C ATOM 278 C GLY A 19 -9.337 -7.272 -1.435 1.00 0.00 C ATOM 279 O GLY A 19 -9.920 -6.411 -2.095 1.00 0.00 O ATOM 0 H GLY A 19 -6.694 -5.821 -2.052 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.650 -7.764 -2.662 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -7.529 -8.344 -1.013 1.00 0.00 H new ATOM 283 N PRO A 20 -9.980 -8.016 -0.532 1.00 0.00 N ATOM 284 CA PRO A 20 -11.399 -7.880 -0.266 1.00 0.00 C ATOM 285 C PRO A 20 -11.739 -6.929 0.881 1.00 0.00 C ATOM 286 O PRO A 20 -12.902 -6.562 1.044 1.00 0.00 O ATOM 287 CB PRO A 20 -11.816 -9.304 0.125 1.00 0.00 C ATOM 288 CG PRO A 20 -10.545 -10.076 0.349 1.00 0.00 C ATOM 289 CD PRO A 20 -9.402 -9.098 0.264 1.00 0.00 C ATOM 0 HA PRO A 20 -11.909 -7.459 -1.132 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -12.428 -9.295 1.027 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -12.415 -9.763 -0.662 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -10.560 -10.565 1.323 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.435 -10.860 -0.400 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -9.086 -8.755 1.249 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -8.527 -9.535 -0.217 1.00 0.00 H new ATOM 297 N LEU A 21 -10.751 -6.517 1.676 1.00 0.00 N ATOM 298 CA LEU A 21 -11.052 -5.656 2.817 1.00 0.00 C ATOM 299 C LEU A 21 -10.251 -4.370 2.891 1.00 0.00 C ATOM 300 O LEU A 21 -9.241 -4.182 2.220 1.00 0.00 O ATOM 301 CB LEU A 21 -10.860 -6.423 4.123 1.00 0.00 C ATOM 302 CG LEU A 21 -12.068 -7.238 4.562 1.00 0.00 C ATOM 303 CD1 LEU A 21 -11.950 -7.644 6.017 1.00 0.00 C ATOM 304 CD2 LEU A 21 -13.342 -6.450 4.356 1.00 0.00 C ATOM 0 H LEU A 21 -9.767 -6.756 1.557 1.00 0.00 H new ATOM 0 HA LEU A 21 -12.091 -5.361 2.668 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -10.007 -7.092 4.014 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -10.610 -5.714 4.912 1.00 0.00 H new ATOM 0 HG LEU A 21 -12.101 -8.139 3.950 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -12.826 -8.225 6.305 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.053 -8.248 6.155 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -11.886 -6.752 6.640 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -14.195 -7.048 4.675 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -13.302 -5.533 4.944 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -13.449 -6.200 3.300 1.00 0.00 H new ATOM 316 N MET A 22 -10.745 -3.495 3.756 1.00 0.00 N ATOM 317 CA MET A 22 -10.138 -2.215 4.027 1.00 0.00 C ATOM 318 C MET A 22 -9.273 -2.337 5.266 1.00 0.00 C ATOM 319 O MET A 22 -9.684 -2.947 6.253 1.00 0.00 O ATOM 320 CB MET A 22 -11.219 -1.158 4.259 1.00 0.00 C ATOM 321 CG MET A 22 -11.177 -0.027 3.249 1.00 0.00 C ATOM 322 SD MET A 22 -12.318 1.306 3.653 1.00 0.00 S ATOM 323 CE MET A 22 -13.880 0.426 3.688 1.00 0.00 C ATOM 0 H MET A 22 -11.594 -3.665 4.295 1.00 0.00 H new ATOM 0 HA MET A 22 -9.530 -1.913 3.174 1.00 0.00 H new ATOM 0 HB2 MET A 22 -12.198 -1.635 4.220 1.00 0.00 H new ATOM 0 HB3 MET A 22 -11.105 -0.745 5.261 1.00 0.00 H new ATOM 0 HG2 MET A 22 -10.164 0.371 3.197 1.00 0.00 H new ATOM 0 HG3 MET A 22 -11.417 -0.419 2.261 1.00 0.00 H new ATOM 0 HE1 MET A 22 -14.638 1.010 3.166 1.00 0.00 H new ATOM 0 HE2 MET A 22 -13.764 -0.540 3.197 1.00 0.00 H new ATOM 0 HE3 MET A 22 -14.188 0.273 4.722 1.00 0.00 H new ATOM 333 N TYR A 23 -8.080 -1.795 5.214 1.00 0.00 N ATOM 334 CA TYR A 23 -7.182 -1.854 6.351 1.00 0.00 C ATOM 335 C TYR A 23 -6.678 -0.469 6.707 1.00 0.00 C ATOM 336 O TYR A 23 -6.483 0.372 5.828 1.00 0.00 O ATOM 337 CB TYR A 23 -6.011 -2.796 6.060 1.00 0.00 C ATOM 338 CG TYR A 23 -6.425 -4.246 5.961 1.00 0.00 C ATOM 339 CD1 TYR A 23 -6.675 -4.841 4.727 1.00 0.00 C ATOM 340 CD2 TYR A 23 -6.579 -5.019 7.103 1.00 0.00 C ATOM 341 CE1 TYR A 23 -7.066 -6.163 4.639 1.00 0.00 C ATOM 342 CE2 TYR A 23 -6.966 -6.342 7.022 1.00 0.00 C ATOM 343 CZ TYR A 23 -7.208 -6.909 5.790 1.00 0.00 C ATOM 344 OH TYR A 23 -7.599 -8.224 5.709 1.00 0.00 O ATOM 0 H TYR A 23 -7.705 -1.308 4.400 1.00 0.00 H new ATOM 0 HA TYR A 23 -7.734 -2.245 7.205 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -5.535 -2.496 5.126 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -5.264 -2.691 6.847 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -6.561 -4.259 3.824 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -6.393 -4.579 8.071 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -7.259 -6.609 3.675 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -7.079 -6.930 7.921 1.00 0.00 H new ATOM 0 HH TYR A 23 -7.650 -8.606 6.610 1.00 0.00 H new ATOM 354 N GLU A 24 -6.510 -0.225 7.999 1.00 0.00 N ATOM 355 CA GLU A 24 -6.017 1.053 8.476 1.00 0.00 C ATOM 356 C GLU A 24 -4.550 1.198 8.121 1.00 0.00 C ATOM 357 O GLU A 24 -3.762 0.283 8.344 1.00 0.00 O ATOM 358 CB GLU A 24 -6.214 1.165 9.984 1.00 0.00 C ATOM 359 CG GLU A 24 -7.653 1.449 10.369 1.00 0.00 C ATOM 360 CD GLU A 24 -7.990 1.052 11.791 1.00 0.00 C ATOM 361 OE1 GLU A 24 -7.995 1.935 12.675 1.00 0.00 O ATOM 362 OE2 GLU A 24 -8.287 -0.135 12.019 1.00 0.00 O ATOM 0 H GLU A 24 -6.710 -0.901 8.736 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.578 1.855 7.996 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.892 0.238 10.458 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.576 1.959 10.371 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.851 2.513 10.241 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.315 0.917 9.686 1.00 0.00 H new ATOM 369 N ALA A 25 -4.183 2.334 7.560 1.00 0.00 N ATOM 370 CA ALA A 25 -2.806 2.555 7.168 1.00 0.00 C ATOM 371 C ALA A 25 -2.400 4.014 7.288 1.00 0.00 C ATOM 372 O ALA A 25 -3.234 4.920 7.233 1.00 0.00 O ATOM 373 CB ALA A 25 -2.595 2.066 5.748 1.00 0.00 C ATOM 0 H ALA A 25 -4.814 3.112 7.367 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.172 1.990 7.851 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -1.558 2.234 5.456 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -2.820 1.001 5.693 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.255 2.612 5.073 1.00 0.00 H new ATOM 379 N LYS A 26 -1.108 4.219 7.470 1.00 0.00 N ATOM 380 CA LYS A 26 -0.539 5.549 7.575 1.00 0.00 C ATOM 381 C LYS A 26 0.304 5.805 6.337 1.00 0.00 C ATOM 382 O LYS A 26 1.220 5.035 6.032 1.00 0.00 O ATOM 383 CB LYS A 26 0.309 5.674 8.845 1.00 0.00 C ATOM 384 CG LYS A 26 0.839 7.077 9.101 1.00 0.00 C ATOM 385 CD LYS A 26 1.700 7.113 10.352 1.00 0.00 C ATOM 386 CE LYS A 26 2.410 8.449 10.516 1.00 0.00 C ATOM 387 NZ LYS A 26 1.552 9.479 11.168 1.00 0.00 N ATOM 0 H LYS A 26 -0.424 3.467 7.549 1.00 0.00 H new ATOM 0 HA LYS A 26 -1.335 6.291 7.640 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.289 5.361 9.701 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.151 4.986 8.776 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.423 7.411 8.243 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.005 7.771 9.209 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.077 6.923 11.226 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.439 6.313 10.307 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.313 8.306 11.109 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.725 8.811 9.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.148 10.258 11.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 0.867 9.848 10.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 1.042 9.051 11.967 1.00 0.00 H new ATOM 401 N ILE A 27 -0.033 6.850 5.605 1.00 0.00 N ATOM 402 CA ILE A 27 0.686 7.190 4.386 1.00 0.00 C ATOM 403 C ILE A 27 2.057 7.766 4.691 1.00 0.00 C ATOM 404 O ILE A 27 2.181 8.785 5.366 1.00 0.00 O ATOM 405 CB ILE A 27 -0.118 8.169 3.507 1.00 0.00 C ATOM 406 CG1 ILE A 27 -1.544 7.639 3.292 1.00 0.00 C ATOM 407 CG2 ILE A 27 0.589 8.357 2.174 1.00 0.00 C ATOM 408 CD1 ILE A 27 -2.616 8.709 3.277 1.00 0.00 C ATOM 0 H ILE A 27 -0.802 7.481 5.832 1.00 0.00 H new ATOM 0 HA ILE A 27 0.819 6.262 3.830 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.184 9.134 4.010 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.578 7.096 2.348 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.775 6.923 4.080 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.019 9.049 1.554 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.587 8.761 2.345 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.668 7.396 1.666 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -3.590 8.246 3.120 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -2.615 9.238 4.230 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.415 9.414 2.470 1.00 0.00 H new ATOM 420 N LEU A 28 3.083 7.096 4.191 1.00 0.00 N ATOM 421 CA LEU A 28 4.451 7.518 4.415 1.00 0.00 C ATOM 422 C LEU A 28 5.003 8.290 3.224 1.00 0.00 C ATOM 423 O LEU A 28 5.957 9.062 3.360 1.00 0.00 O ATOM 424 CB LEU A 28 5.333 6.311 4.707 1.00 0.00 C ATOM 425 CG LEU A 28 6.170 6.456 5.967 1.00 0.00 C ATOM 426 CD1 LEU A 28 5.348 6.117 7.204 1.00 0.00 C ATOM 427 CD2 LEU A 28 7.421 5.596 5.889 1.00 0.00 C ATOM 0 H LEU A 28 2.990 6.253 3.624 1.00 0.00 H new ATOM 0 HA LEU A 28 4.454 8.185 5.277 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.703 5.426 4.800 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.996 6.143 3.858 1.00 0.00 H new ATOM 0 HG LEU A 28 6.485 7.496 6.048 1.00 0.00 H new ATOM 0 HD11 LEU A 28 5.967 6.228 8.094 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.494 6.792 7.270 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.993 5.089 7.134 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.003 5.717 6.802 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.137 4.550 5.776 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.021 5.904 5.033 1.00 0.00 H new ATOM 439 N LYS A 29 4.437 8.054 2.046 1.00 0.00 N ATOM 440 CA LYS A 29 4.880 8.756 0.846 1.00 0.00 C ATOM 441 C LYS A 29 3.710 9.041 -0.080 1.00 0.00 C ATOM 442 O LYS A 29 2.928 8.149 -0.400 1.00 0.00 O ATOM 443 CB LYS A 29 5.935 7.962 0.060 1.00 0.00 C ATOM 444 CG LYS A 29 6.662 6.893 0.856 1.00 0.00 C ATOM 445 CD LYS A 29 7.785 6.271 0.040 1.00 0.00 C ATOM 446 CE LYS A 29 8.956 5.887 0.921 1.00 0.00 C ATOM 447 NZ LYS A 29 10.147 5.492 0.121 1.00 0.00 N ATOM 0 H LYS A 29 3.678 7.389 1.896 1.00 0.00 H new ATOM 0 HA LYS A 29 5.326 9.689 1.190 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.450 7.490 -0.794 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.671 8.661 -0.338 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.070 7.329 1.768 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.957 6.119 1.160 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.414 5.388 -0.481 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.116 6.975 -0.723 1.00 0.00 H new ATOM 0 HE2 LYS A 29 9.215 6.726 1.567 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.666 5.062 1.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 10.926 5.237 0.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.908 4.675 -0.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.440 6.288 -0.481 1.00 0.00 H new ATOM 461 N ILE A 30 3.600 10.282 -0.501 1.00 0.00 N ATOM 462 CA ILE A 30 2.549 10.692 -1.412 1.00 0.00 C ATOM 463 C ILE A 30 3.054 10.536 -2.829 1.00 0.00 C ATOM 464 O ILE A 30 4.208 10.813 -3.096 1.00 0.00 O ATOM 465 CB ILE A 30 2.127 12.165 -1.193 1.00 0.00 C ATOM 466 CG1 ILE A 30 1.868 12.449 0.282 1.00 0.00 C ATOM 467 CG2 ILE A 30 0.897 12.496 -2.019 1.00 0.00 C ATOM 468 CD1 ILE A 30 1.012 11.406 0.947 1.00 0.00 C ATOM 0 H ILE A 30 4.232 11.033 -0.224 1.00 0.00 H new ATOM 0 HA ILE A 30 1.677 10.065 -1.227 1.00 0.00 H new ATOM 0 HB ILE A 30 2.949 12.801 -1.521 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.822 12.514 0.805 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.385 13.421 0.378 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.615 13.536 -1.852 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.117 12.345 -3.076 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.074 11.845 -1.723 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.867 11.669 1.995 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.044 11.357 0.447 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.504 10.436 0.881 1.00 0.00 H new ATOM 480 N TRP A 31 2.214 10.101 -3.734 1.00 0.00 N ATOM 481 CA TRP A 31 2.646 9.916 -5.096 1.00 0.00 C ATOM 482 C TRP A 31 1.953 10.884 -6.032 1.00 0.00 C ATOM 483 O TRP A 31 0.725 10.910 -6.110 1.00 0.00 O ATOM 484 CB TRP A 31 2.358 8.508 -5.573 1.00 0.00 C ATOM 485 CG TRP A 31 2.748 8.339 -6.997 1.00 0.00 C ATOM 486 CD1 TRP A 31 1.940 8.392 -8.089 1.00 0.00 C ATOM 487 CD2 TRP A 31 4.059 8.159 -7.476 1.00 0.00 C ATOM 488 NE1 TRP A 31 2.679 8.201 -9.235 1.00 0.00 N ATOM 489 CE2 TRP A 31 3.989 8.056 -8.874 1.00 0.00 C ATOM 490 CE3 TRP A 31 5.289 8.051 -6.844 1.00 0.00 C ATOM 491 CZ2 TRP A 31 5.115 7.858 -9.649 1.00 0.00 C ATOM 492 CZ3 TRP A 31 6.404 7.856 -7.613 1.00 0.00 C ATOM 493 CH2 TRP A 31 6.308 7.762 -9.003 1.00 0.00 C ATOM 0 H TRP A 31 1.237 9.870 -3.555 1.00 0.00 H new ATOM 0 HA TRP A 31 3.720 10.100 -5.110 1.00 0.00 H new ATOM 0 HB2 TRP A 31 2.902 7.793 -4.956 1.00 0.00 H new ATOM 0 HB3 TRP A 31 1.297 8.290 -5.454 1.00 0.00 H new ATOM 0 HD1 TRP A 31 0.873 8.560 -8.062 1.00 0.00 H new ATOM 0 HE1 TRP A 31 2.313 8.173 -10.187 1.00 0.00 H new ATOM 0 HE3 TRP A 31 5.365 8.119 -5.769 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 5.051 7.782 -10.724 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 7.371 7.774 -7.139 1.00 0.00 H new ATOM 0 HH2 TRP A 31 7.207 7.609 -9.582 1.00 0.00 H new ATOM 504 N ASP A 32 2.743 11.644 -6.765 1.00 0.00 N ATOM 505 CA ASP A 32 2.203 12.589 -7.721 1.00 0.00 C ATOM 506 C ASP A 32 2.634 12.188 -9.130 1.00 0.00 C ATOM 507 O ASP A 32 3.810 12.298 -9.490 1.00 0.00 O ATOM 508 CB ASP A 32 2.640 14.019 -7.400 1.00 0.00 C ATOM 509 CG ASP A 32 1.570 15.029 -7.771 1.00 0.00 C ATOM 510 OD1 ASP A 32 1.060 15.724 -6.865 1.00 0.00 O ATOM 511 OD2 ASP A 32 1.222 15.120 -8.965 1.00 0.00 O ATOM 0 H ASP A 32 3.762 11.625 -6.716 1.00 0.00 H new ATOM 0 HA ASP A 32 1.115 12.566 -7.660 1.00 0.00 H new ATOM 0 HB2 ASP A 32 2.865 14.101 -6.337 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.559 14.248 -7.939 1.00 0.00 H new ATOM 516 N PRO A 33 1.669 11.729 -9.948 1.00 0.00 N ATOM 517 CA PRO A 33 1.918 11.266 -11.321 1.00 0.00 C ATOM 518 C PRO A 33 2.175 12.405 -12.302 1.00 0.00 C ATOM 519 O PRO A 33 1.992 12.253 -13.511 1.00 0.00 O ATOM 520 CB PRO A 33 0.618 10.539 -11.674 1.00 0.00 C ATOM 521 CG PRO A 33 -0.426 11.245 -10.884 1.00 0.00 C ATOM 522 CD PRO A 33 0.239 11.650 -9.595 1.00 0.00 C ATOM 0 HA PRO A 33 2.814 10.648 -11.384 1.00 0.00 H new ATOM 0 HB2 PRO A 33 0.411 10.591 -12.743 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.669 9.483 -11.411 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -0.801 12.116 -11.421 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -1.280 10.595 -10.696 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -0.138 12.607 -9.234 1.00 0.00 H new ATOM 0 HD3 PRO A 33 0.061 10.919 -8.806 1.00 0.00 H new ATOM 530 N SER A 34 2.592 13.540 -11.779 1.00 0.00 N ATOM 531 CA SER A 34 2.885 14.701 -12.603 1.00 0.00 C ATOM 532 C SER A 34 4.273 14.582 -13.224 1.00 0.00 C ATOM 533 O SER A 34 4.458 14.831 -14.419 1.00 0.00 O ATOM 534 CB SER A 34 2.794 15.963 -11.752 1.00 0.00 C ATOM 535 OG SER A 34 3.235 15.707 -10.430 1.00 0.00 O ATOM 0 H SER A 34 2.737 13.686 -10.780 1.00 0.00 H new ATOM 0 HA SER A 34 2.155 14.756 -13.411 1.00 0.00 H new ATOM 0 HB2 SER A 34 3.400 16.752 -12.197 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.765 16.323 -11.735 1.00 0.00 H new ATOM 0 HG SER A 34 2.489 15.830 -9.807 1.00 0.00 H new ATOM 541 N SER A 35 5.242 14.186 -12.406 1.00 0.00 N ATOM 542 CA SER A 35 6.614 14.044 -12.863 1.00 0.00 C ATOM 543 C SER A 35 7.127 12.641 -12.583 1.00 0.00 C ATOM 544 O SER A 35 8.162 12.244 -13.117 1.00 0.00 O ATOM 545 CB SER A 35 7.505 15.085 -12.195 1.00 0.00 C ATOM 546 OG SER A 35 6.981 16.387 -12.392 1.00 0.00 O ATOM 0 H SER A 35 5.099 13.958 -11.422 1.00 0.00 H new ATOM 0 HA SER A 35 6.640 14.208 -13.940 1.00 0.00 H new ATOM 0 HB2 SER A 35 7.582 14.875 -11.128 1.00 0.00 H new ATOM 0 HB3 SER A 35 8.513 15.026 -12.605 1.00 0.00 H new ATOM 0 HG SER A 35 7.563 17.043 -11.956 1.00 0.00 H new ATOM 552 N LYS A 36 6.418 11.940 -11.688 1.00 0.00 N ATOM 553 CA LYS A 36 6.715 10.563 -11.327 1.00 0.00 C ATOM 554 C LYS A 36 7.647 10.528 -10.135 1.00 0.00 C ATOM 555 O LYS A 36 8.555 9.700 -10.027 1.00 0.00 O ATOM 556 CB LYS A 36 7.246 9.740 -12.500 1.00 0.00 C ATOM 557 CG LYS A 36 7.085 8.260 -12.283 1.00 0.00 C ATOM 558 CD LYS A 36 7.343 7.458 -13.552 1.00 0.00 C ATOM 559 CE LYS A 36 6.220 7.639 -14.562 1.00 0.00 C ATOM 560 NZ LYS A 36 6.285 6.631 -15.651 1.00 0.00 N ATOM 0 H LYS A 36 5.614 12.325 -11.193 1.00 0.00 H new ATOM 0 HA LYS A 36 5.776 10.087 -11.045 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.721 10.030 -13.410 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.301 9.969 -12.653 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.772 7.933 -11.503 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.076 8.055 -11.925 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.288 7.771 -13.996 1.00 0.00 H new ATOM 0 HD3 LYS A 36 7.443 6.402 -13.302 1.00 0.00 H new ATOM 0 HE2 LYS A 36 5.259 7.562 -14.054 1.00 0.00 H new ATOM 0 HE3 LYS A 36 6.275 8.640 -14.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 5.503 6.789 -16.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 7.191 6.720 -16.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 6.207 5.676 -15.246 1.00 0.00 H new ATOM 574 N MET A 37 7.405 11.470 -9.252 1.00 0.00 N ATOM 575 CA MET A 37 8.096 11.600 -8.024 1.00 0.00 C ATOM 576 C MET A 37 7.091 11.285 -6.937 1.00 0.00 C ATOM 577 O MET A 37 5.908 11.086 -7.218 1.00 0.00 O ATOM 578 CB MET A 37 8.615 13.027 -7.853 1.00 0.00 C ATOM 579 CG MET A 37 9.236 13.621 -9.107 1.00 0.00 C ATOM 580 SD MET A 37 9.391 15.417 -9.017 1.00 0.00 S ATOM 581 CE MET A 37 7.677 15.914 -8.833 1.00 0.00 C ATOM 0 H MET A 37 6.691 12.185 -9.391 1.00 0.00 H new ATOM 0 HA MET A 37 8.955 10.930 -7.984 1.00 0.00 H new ATOM 0 HB2 MET A 37 7.791 13.665 -7.532 1.00 0.00 H new ATOM 0 HB3 MET A 37 9.356 13.038 -7.054 1.00 0.00 H new ATOM 0 HG2 MET A 37 10.221 13.182 -9.264 1.00 0.00 H new ATOM 0 HG3 MET A 37 8.627 13.355 -9.971 1.00 0.00 H new ATOM 0 HE1 MET A 37 7.424 16.642 -9.604 1.00 0.00 H new ATOM 0 HE2 MET A 37 7.032 15.041 -8.933 1.00 0.00 H new ATOM 0 HE3 MET A 37 7.532 16.362 -7.850 1.00 0.00 H new ATOM 591 N TYR A 38 7.535 11.297 -5.719 1.00 0.00 N ATOM 592 CA TYR A 38 6.680 11.007 -4.602 1.00 0.00 C ATOM 593 C TYR A 38 7.188 11.830 -3.427 1.00 0.00 C ATOM 594 O TYR A 38 8.351 12.250 -3.432 1.00 0.00 O ATOM 595 CB TYR A 38 6.657 9.504 -4.267 1.00 0.00 C ATOM 596 CG TYR A 38 7.980 8.897 -3.870 1.00 0.00 C ATOM 597 CD1 TYR A 38 8.426 8.963 -2.561 1.00 0.00 C ATOM 598 CD2 TYR A 38 8.765 8.233 -4.800 1.00 0.00 C ATOM 599 CE1 TYR A 38 9.621 8.389 -2.188 1.00 0.00 C ATOM 600 CE2 TYR A 38 9.963 7.656 -4.435 1.00 0.00 C ATOM 601 CZ TYR A 38 10.385 7.738 -3.126 1.00 0.00 C ATOM 602 OH TYR A 38 11.572 7.161 -2.750 1.00 0.00 O ATOM 0 H TYR A 38 8.501 11.508 -5.467 1.00 0.00 H new ATOM 0 HA TYR A 38 5.650 11.270 -4.841 1.00 0.00 H new ATOM 0 HB2 TYR A 38 5.947 9.343 -3.455 1.00 0.00 H new ATOM 0 HB3 TYR A 38 6.277 8.964 -5.134 1.00 0.00 H new ATOM 0 HD1 TYR A 38 7.827 9.473 -1.821 1.00 0.00 H new ATOM 0 HD2 TYR A 38 8.433 8.167 -5.826 1.00 0.00 H new ATOM 0 HE1 TYR A 38 9.956 8.450 -1.163 1.00 0.00 H new ATOM 0 HE2 TYR A 38 10.566 7.144 -5.170 1.00 0.00 H new ATOM 0 HH TYR A 38 11.706 6.331 -3.253 1.00 0.00 H new ATOM 612 N THR A 39 6.352 12.084 -2.441 1.00 0.00 N ATOM 613 CA THR A 39 6.774 12.868 -1.299 1.00 0.00 C ATOM 614 C THR A 39 6.641 12.052 -0.026 1.00 0.00 C ATOM 615 O THR A 39 5.553 11.725 0.431 1.00 0.00 O ATOM 616 CB THR A 39 6.008 14.200 -1.210 1.00 0.00 C ATOM 617 OG1 THR A 39 4.715 14.023 -0.623 1.00 0.00 O ATOM 618 CG2 THR A 39 5.842 14.815 -2.588 1.00 0.00 C ATOM 0 H THR A 39 5.385 11.762 -2.407 1.00 0.00 H new ATOM 0 HA THR A 39 7.826 13.124 -1.428 1.00 0.00 H new ATOM 0 HB THR A 39 6.595 14.866 -0.577 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.660 13.134 -0.214 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.298 15.756 -2.503 1.00 0.00 H new ATOM 0 HG22 THR A 39 6.824 15.001 -3.024 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.285 14.130 -3.227 1.00 0.00 H new ATOM 626 N SER A 40 7.777 11.703 0.524 1.00 0.00 N ATOM 627 CA SER A 40 7.825 10.890 1.720 1.00 0.00 C ATOM 628 C SER A 40 8.032 11.753 2.958 1.00 0.00 C ATOM 629 O SER A 40 8.134 12.976 2.873 1.00 0.00 O ATOM 630 CB SER A 40 8.946 9.853 1.600 1.00 0.00 C ATOM 631 OG SER A 40 8.687 8.720 2.412 1.00 0.00 O ATOM 0 H SER A 40 8.691 11.971 0.160 1.00 0.00 H new ATOM 0 HA SER A 40 6.871 10.374 1.825 1.00 0.00 H new ATOM 0 HB2 SER A 40 9.048 9.543 0.560 1.00 0.00 H new ATOM 0 HB3 SER A 40 9.894 10.304 1.892 1.00 0.00 H new ATOM 0 HG SER A 40 7.781 8.782 2.781 1.00 0.00 H new ATOM 637 N ILE A 41 8.056 11.117 4.113 1.00 0.00 N ATOM 638 CA ILE A 41 8.268 11.834 5.359 1.00 0.00 C ATOM 639 C ILE A 41 9.404 11.205 6.156 1.00 0.00 C ATOM 640 O ILE A 41 9.506 9.981 6.243 1.00 0.00 O ATOM 641 CB ILE A 41 7.002 11.830 6.246 1.00 0.00 C ATOM 642 CG1 ILE A 41 5.730 11.851 5.397 1.00 0.00 C ATOM 643 CG2 ILE A 41 7.017 12.999 7.219 1.00 0.00 C ATOM 644 CD1 ILE A 41 4.699 10.844 5.852 1.00 0.00 C ATOM 0 H ILE A 41 7.932 10.110 4.217 1.00 0.00 H new ATOM 0 HA ILE A 41 8.516 12.860 5.089 1.00 0.00 H new ATOM 0 HB ILE A 41 7.005 10.905 6.823 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.294 12.849 5.431 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.990 11.652 4.358 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.116 12.974 7.832 1.00 0.00 H new ATOM 0 HG22 ILE A 41 7.895 12.927 7.861 1.00 0.00 H new ATOM 0 HG23 ILE A 41 7.051 13.935 6.662 1.00 0.00 H new ATOM 0 HD11 ILE A 41 3.820 10.908 5.210 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.120 9.840 5.792 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.412 11.057 6.882 1.00 0.00 H new ATOM 846 N ILE A 56 12.834 15.856 2.589 1.00 0.00 N ATOM 847 CA ILE A 56 12.213 15.047 1.553 1.00 0.00 C ATOM 848 C ILE A 56 11.632 15.950 0.479 1.00 0.00 C ATOM 849 O ILE A 56 10.587 16.581 0.663 1.00 0.00 O ATOM 850 CB ILE A 56 11.095 14.098 2.075 1.00 0.00 C ATOM 851 CG1 ILE A 56 11.653 12.857 2.804 1.00 0.00 C ATOM 852 CG2 ILE A 56 10.253 13.633 0.901 1.00 0.00 C ATOM 853 CD1 ILE A 56 12.877 13.096 3.662 1.00 0.00 C ATOM 0 HA ILE A 56 13.003 14.412 1.153 1.00 0.00 H new ATOM 0 HB ILE A 56 10.502 14.663 2.794 1.00 0.00 H new ATOM 0 HG12 ILE A 56 10.865 12.443 3.434 1.00 0.00 H new ATOM 0 HG13 ILE A 56 11.896 12.099 2.059 1.00 0.00 H new ATOM 0 HG21 ILE A 56 9.467 12.967 1.258 1.00 0.00 H new ATOM 0 HG22 ILE A 56 9.803 14.497 0.412 1.00 0.00 H new ATOM 0 HG23 ILE A 56 10.884 13.101 0.189 1.00 0.00 H new ATOM 0 HD11 ILE A 56 13.184 12.159 4.127 1.00 0.00 H new ATOM 0 HD12 ILE A 56 13.688 13.476 3.041 1.00 0.00 H new ATOM 0 HD13 ILE A 56 12.641 13.825 4.437 1.00 0.00 H new ATOM 865 N LYS A 57 12.360 16.063 -0.604 1.00 0.00 N ATOM 866 CA LYS A 57 11.913 16.832 -1.744 1.00 0.00 C ATOM 867 C LYS A 57 11.280 15.851 -2.713 1.00 0.00 C ATOM 868 O LYS A 57 11.571 14.661 -2.626 1.00 0.00 O ATOM 869 CB LYS A 57 13.084 17.573 -2.407 1.00 0.00 C ATOM 870 CG LYS A 57 14.428 16.868 -2.262 1.00 0.00 C ATOM 871 CD LYS A 57 15.397 17.685 -1.417 1.00 0.00 C ATOM 872 CE LYS A 57 16.616 16.872 -0.992 1.00 0.00 C ATOM 873 NZ LYS A 57 17.526 16.570 -2.131 1.00 0.00 N ATOM 0 H LYS A 57 13.275 15.628 -0.722 1.00 0.00 H new ATOM 0 HA LYS A 57 11.197 17.594 -1.436 1.00 0.00 H new ATOM 0 HB2 LYS A 57 12.865 17.701 -3.467 1.00 0.00 H new ATOM 0 HB3 LYS A 57 13.160 18.571 -1.974 1.00 0.00 H new ATOM 0 HG2 LYS A 57 14.280 15.890 -1.805 1.00 0.00 H new ATOM 0 HG3 LYS A 57 14.859 16.697 -3.248 1.00 0.00 H new ATOM 0 HD2 LYS A 57 15.723 18.558 -1.983 1.00 0.00 H new ATOM 0 HD3 LYS A 57 14.881 18.054 -0.531 1.00 0.00 H new ATOM 0 HE2 LYS A 57 17.166 17.421 -0.228 1.00 0.00 H new ATOM 0 HE3 LYS A 57 16.285 15.938 -0.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 18.338 16.016 -1.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 17.012 16.023 -2.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 17.865 17.460 -2.550 1.00 0.00 H new ATOM 887 N PRO A 58 10.371 16.293 -3.601 1.00 0.00 N ATOM 888 CA PRO A 58 9.740 15.387 -4.561 1.00 0.00 C ATOM 889 C PRO A 58 10.794 14.581 -5.312 1.00 0.00 C ATOM 890 O PRO A 58 11.487 15.098 -6.190 1.00 0.00 O ATOM 891 CB PRO A 58 8.980 16.326 -5.497 1.00 0.00 C ATOM 892 CG PRO A 58 8.718 17.548 -4.683 1.00 0.00 C ATOM 893 CD PRO A 58 9.868 17.669 -3.721 1.00 0.00 C ATOM 0 HA PRO A 58 9.087 14.651 -4.092 1.00 0.00 H new ATOM 0 HB2 PRO A 58 9.568 16.561 -6.384 1.00 0.00 H new ATOM 0 HB3 PRO A 58 8.050 15.873 -5.841 1.00 0.00 H new ATOM 0 HG2 PRO A 58 8.648 18.431 -5.318 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.772 17.464 -4.149 1.00 0.00 H new ATOM 0 HD2 PRO A 58 10.636 18.344 -4.098 1.00 0.00 H new ATOM 0 HD3 PRO A 58 9.544 18.062 -2.757 1.00 0.00 H new ATOM 901 N GLN A 59 10.908 13.315 -4.945 1.00 0.00 N ATOM 902 CA GLN A 59 11.905 12.432 -5.525 1.00 0.00 C ATOM 903 C GLN A 59 11.272 11.446 -6.486 1.00 0.00 C ATOM 904 O GLN A 59 10.243 10.848 -6.184 1.00 0.00 O ATOM 905 CB GLN A 59 12.649 11.677 -4.418 1.00 0.00 C ATOM 906 CG GLN A 59 13.833 12.444 -3.844 1.00 0.00 C ATOM 907 CD GLN A 59 13.824 12.516 -2.326 1.00 0.00 C ATOM 908 OE1 GLN A 59 14.344 13.462 -1.736 1.00 0.00 O ATOM 909 NE2 GLN A 59 13.253 11.511 -1.678 1.00 0.00 N ATOM 0 H GLN A 59 10.316 12.873 -4.241 1.00 0.00 H new ATOM 0 HA GLN A 59 12.613 13.045 -6.083 1.00 0.00 H new ATOM 0 HB2 GLN A 59 11.950 11.449 -3.613 1.00 0.00 H new ATOM 0 HB3 GLN A 59 13.002 10.724 -4.814 1.00 0.00 H new ATOM 0 HG2 GLN A 59 14.758 11.970 -4.173 1.00 0.00 H new ATOM 0 HG3 GLN A 59 13.832 13.456 -4.249 1.00 0.00 H new ATOM 0 HE21 GLN A 59 12.831 10.742 -2.199 1.00 0.00 H new ATOM 0 HE22 GLN A 59 13.235 11.506 -0.658 1.00 0.00 H new ATOM 918 N LYS A 60 11.908 11.288 -7.634 1.00 0.00 N ATOM 919 CA LYS A 60 11.460 10.396 -8.667 1.00 0.00 C ATOM 920 C LYS A 60 11.707 8.981 -8.214 1.00 0.00 C ATOM 921 O LYS A 60 12.629 8.721 -7.433 1.00 0.00 O ATOM 922 CB LYS A 60 12.216 10.688 -9.968 1.00 0.00 C ATOM 923 CG LYS A 60 11.599 10.060 -11.210 1.00 0.00 C ATOM 924 CD LYS A 60 12.326 10.498 -12.472 1.00 0.00 C ATOM 925 CE LYS A 60 12.168 11.989 -12.718 1.00 0.00 C ATOM 926 NZ LYS A 60 13.401 12.592 -13.289 1.00 0.00 N ATOM 0 H LYS A 60 12.765 11.789 -7.870 1.00 0.00 H new ATOM 0 HA LYS A 60 10.396 10.537 -8.855 1.00 0.00 H new ATOM 0 HB2 LYS A 60 12.267 11.768 -10.109 1.00 0.00 H new ATOM 0 HB3 LYS A 60 13.241 10.331 -9.866 1.00 0.00 H new ATOM 0 HG2 LYS A 60 11.634 8.974 -11.126 1.00 0.00 H new ATOM 0 HG3 LYS A 60 10.548 10.341 -11.278 1.00 0.00 H new ATOM 0 HD2 LYS A 60 13.385 10.253 -12.387 1.00 0.00 H new ATOM 0 HD3 LYS A 60 11.938 9.944 -13.327 1.00 0.00 H new ATOM 0 HE2 LYS A 60 11.333 12.158 -13.398 1.00 0.00 H new ATOM 0 HE3 LYS A 60 11.921 12.487 -11.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 13.251 13.610 -13.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 14.193 12.454 -12.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 13.623 12.135 -14.196 1.00 0.00 H new ATOM 940 N LEU A 61 10.877 8.088 -8.682 1.00 0.00 N ATOM 941 CA LEU A 61 10.989 6.697 -8.321 1.00 0.00 C ATOM 942 C LEU A 61 12.370 6.136 -8.591 1.00 0.00 C ATOM 943 O LEU A 61 12.940 6.319 -9.669 1.00 0.00 O ATOM 944 CB LEU A 61 9.944 5.893 -9.058 1.00 0.00 C ATOM 945 CG LEU A 61 8.622 5.783 -8.320 1.00 0.00 C ATOM 946 CD1 LEU A 61 7.710 4.814 -9.037 1.00 0.00 C ATOM 947 CD2 LEU A 61 8.855 5.355 -6.882 1.00 0.00 C ATOM 0 H LEU A 61 10.109 8.300 -9.319 1.00 0.00 H new ATOM 0 HA LEU A 61 10.822 6.624 -7.246 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.769 6.349 -10.032 1.00 0.00 H new ATOM 0 HB3 LEU A 61 10.332 4.891 -9.240 1.00 0.00 H new ATOM 0 HG LEU A 61 8.139 6.760 -8.305 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.764 4.741 -8.501 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.526 5.169 -10.051 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.181 3.832 -9.077 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.898 5.280 -6.365 1.00 0.00 H new ATOM 0 HD22 LEU A 61 9.352 4.385 -6.867 1.00 0.00 H new ATOM 0 HD23 LEU A 61 9.482 6.092 -6.380 1.00 0.00 H new ATOM 959 N GLY A 62 12.913 5.521 -7.556 1.00 0.00 N ATOM 960 CA GLY A 62 14.209 4.878 -7.633 1.00 0.00 C ATOM 961 C GLY A 62 14.287 3.773 -8.682 1.00 0.00 C ATOM 962 O GLY A 62 13.389 3.601 -9.511 1.00 0.00 O ATOM 0 H GLY A 62 12.468 5.454 -6.641 1.00 0.00 H new ATOM 0 HA2 GLY A 62 14.965 5.631 -7.855 1.00 0.00 H new ATOM 0 HA3 GLY A 62 14.454 4.458 -6.658 1.00 0.00 H new ATOM 966 N GLU A 63 15.347 2.992 -8.597 1.00 0.00 N ATOM 967 CA GLU A 63 15.625 1.926 -9.553 1.00 0.00 C ATOM 968 C GLU A 63 14.654 0.749 -9.466 1.00 0.00 C ATOM 969 O GLU A 63 14.261 0.189 -10.490 1.00 0.00 O ATOM 970 CB GLU A 63 17.044 1.403 -9.322 1.00 0.00 C ATOM 971 CG GLU A 63 17.995 2.444 -8.765 1.00 0.00 C ATOM 972 CD GLU A 63 18.746 3.193 -9.843 1.00 0.00 C ATOM 973 OE1 GLU A 63 19.961 2.953 -9.997 1.00 0.00 O ATOM 974 OE2 GLU A 63 18.131 4.025 -10.540 1.00 0.00 O ATOM 0 H GLU A 63 16.047 3.076 -7.860 1.00 0.00 H new ATOM 0 HA GLU A 63 15.508 2.364 -10.544 1.00 0.00 H new ATOM 0 HB2 GLU A 63 17.003 0.557 -8.635 1.00 0.00 H new ATOM 0 HB3 GLU A 63 17.442 1.028 -10.265 1.00 0.00 H new ATOM 0 HG2 GLU A 63 17.433 3.155 -8.160 1.00 0.00 H new ATOM 0 HG3 GLU A 63 18.711 1.957 -8.102 1.00 0.00 H new ATOM 981 N ASP A 64 14.263 0.379 -8.255 1.00 0.00 N ATOM 982 CA ASP A 64 13.397 -0.788 -8.064 1.00 0.00 C ATOM 983 C ASP A 64 12.142 -0.423 -7.291 1.00 0.00 C ATOM 984 O ASP A 64 11.544 -1.255 -6.612 1.00 0.00 O ATOM 985 CB ASP A 64 14.172 -1.881 -7.326 1.00 0.00 C ATOM 986 CG ASP A 64 13.864 -3.268 -7.849 1.00 0.00 C ATOM 987 OD1 ASP A 64 13.251 -4.065 -7.109 1.00 0.00 O ATOM 988 OD2 ASP A 64 14.253 -3.577 -8.997 1.00 0.00 O ATOM 0 H ASP A 64 14.525 0.860 -7.395 1.00 0.00 H new ATOM 0 HA ASP A 64 13.089 -1.154 -9.043 1.00 0.00 H new ATOM 0 HB2 ASP A 64 15.241 -1.690 -7.421 1.00 0.00 H new ATOM 0 HB3 ASP A 64 13.933 -1.836 -6.263 1.00 0.00 H new ATOM 993 N GLU A 65 11.739 0.822 -7.413 1.00 0.00 N ATOM 994 CA GLU A 65 10.575 1.332 -6.711 1.00 0.00 C ATOM 995 C GLU A 65 9.385 1.472 -7.652 1.00 0.00 C ATOM 996 O GLU A 65 8.373 2.080 -7.312 1.00 0.00 O ATOM 997 CB GLU A 65 10.947 2.676 -6.125 1.00 0.00 C ATOM 998 CG GLU A 65 11.613 2.576 -4.762 1.00 0.00 C ATOM 999 CD GLU A 65 12.447 3.788 -4.418 1.00 0.00 C ATOM 1000 OE1 GLU A 65 11.888 4.769 -3.887 1.00 0.00 O ATOM 1001 OE2 GLU A 65 13.672 3.755 -4.659 1.00 0.00 O ATOM 0 H GLU A 65 12.207 1.512 -8.001 1.00 0.00 H new ATOM 0 HA GLU A 65 10.281 0.638 -5.924 1.00 0.00 H new ATOM 0 HB2 GLU A 65 11.618 3.191 -6.812 1.00 0.00 H new ATOM 0 HB3 GLU A 65 10.049 3.288 -6.039 1.00 0.00 H new ATOM 0 HG2 GLU A 65 10.846 2.442 -3.999 1.00 0.00 H new ATOM 0 HG3 GLU A 65 12.246 1.689 -4.738 1.00 0.00 H new ATOM 1008 N SER A 66 9.551 0.907 -8.834 1.00 0.00 N ATOM 1009 CA SER A 66 8.550 0.923 -9.896 1.00 0.00 C ATOM 1010 C SER A 66 7.143 0.595 -9.385 1.00 0.00 C ATOM 1011 O SER A 66 6.892 -0.479 -8.834 1.00 0.00 O ATOM 1012 CB SER A 66 8.971 -0.076 -10.972 1.00 0.00 C ATOM 1013 OG SER A 66 10.334 -0.436 -10.796 1.00 0.00 O ATOM 0 H SER A 66 10.404 0.411 -9.093 1.00 0.00 H new ATOM 0 HA SER A 66 8.500 1.932 -10.305 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.342 -0.965 -10.920 1.00 0.00 H new ATOM 0 HB3 SER A 66 8.826 0.360 -11.961 1.00 0.00 H new ATOM 0 HG SER A 66 10.595 -1.078 -11.489 1.00 0.00 H new ATOM 1019 N ILE A 67 6.242 1.544 -9.572 1.00 0.00 N ATOM 1020 CA ILE A 67 4.851 1.413 -9.151 1.00 0.00 C ATOM 1021 C ILE A 67 3.988 0.834 -10.272 1.00 0.00 C ATOM 1022 O ILE A 67 4.248 1.114 -11.442 1.00 0.00 O ATOM 1023 CB ILE A 67 4.295 2.801 -8.787 1.00 0.00 C ATOM 1024 CG1 ILE A 67 5.031 3.356 -7.585 1.00 0.00 C ATOM 1025 CG2 ILE A 67 2.797 2.766 -8.530 1.00 0.00 C ATOM 1026 CD1 ILE A 67 4.741 4.811 -7.348 1.00 0.00 C ATOM 0 H ILE A 67 6.453 2.434 -10.023 1.00 0.00 H new ATOM 0 HA ILE A 67 4.821 0.743 -8.292 1.00 0.00 H new ATOM 0 HB ILE A 67 4.458 3.458 -9.641 1.00 0.00 H new ATOM 0 HG12 ILE A 67 4.753 2.785 -6.699 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.103 3.222 -7.727 1.00 0.00 H new ATOM 0 HG21 ILE A 67 2.448 3.767 -8.277 1.00 0.00 H new ATOM 0 HG22 ILE A 67 2.282 2.418 -9.426 1.00 0.00 H new ATOM 0 HG23 ILE A 67 2.585 2.088 -7.703 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.295 5.155 -6.475 1.00 0.00 H new ATOM 0 HD12 ILE A 67 5.044 5.389 -8.221 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.673 4.946 -7.176 1.00 0.00 H new ATOM 1038 N PRO A 68 2.978 -0.005 -9.939 1.00 0.00 N ATOM 1039 CA PRO A 68 2.052 -0.555 -10.931 1.00 0.00 C ATOM 1040 C PRO A 68 1.540 0.536 -11.876 1.00 0.00 C ATOM 1041 O PRO A 68 0.977 1.540 -11.433 1.00 0.00 O ATOM 1042 CB PRO A 68 0.917 -1.113 -10.076 1.00 0.00 C ATOM 1043 CG PRO A 68 1.576 -1.505 -8.796 1.00 0.00 C ATOM 1044 CD PRO A 68 2.699 -0.525 -8.584 1.00 0.00 C ATOM 0 HA PRO A 68 2.514 -1.304 -11.574 1.00 0.00 H new ATOM 0 HB2 PRO A 68 0.140 -0.367 -9.911 1.00 0.00 H new ATOM 0 HB3 PRO A 68 0.441 -1.968 -10.556 1.00 0.00 H new ATOM 0 HG2 PRO A 68 0.868 -1.471 -7.968 1.00 0.00 H new ATOM 0 HG3 PRO A 68 1.955 -2.526 -8.850 1.00 0.00 H new ATOM 0 HD2 PRO A 68 2.409 0.274 -7.902 1.00 0.00 H new ATOM 0 HD3 PRO A 68 3.576 -1.009 -8.154 1.00 0.00 H new ATOM 1052 N GLU A 69 1.715 0.312 -13.169 1.00 0.00 N ATOM 1053 CA GLU A 69 1.340 1.281 -14.202 1.00 0.00 C ATOM 1054 C GLU A 69 -0.156 1.595 -14.237 1.00 0.00 C ATOM 1055 O GLU A 69 -0.582 2.491 -14.965 1.00 0.00 O ATOM 1056 CB GLU A 69 1.803 0.770 -15.561 1.00 0.00 C ATOM 1057 CG GLU A 69 3.310 0.664 -15.659 1.00 0.00 C ATOM 1058 CD GLU A 69 3.949 1.912 -16.233 1.00 0.00 C ATOM 1059 OE1 GLU A 69 5.128 1.839 -16.639 1.00 0.00 O ATOM 1060 OE2 GLU A 69 3.277 2.963 -16.288 1.00 0.00 O ATOM 0 H GLU A 69 2.122 -0.547 -13.539 1.00 0.00 H new ATOM 0 HA GLU A 69 1.836 2.219 -13.954 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.361 -0.209 -15.747 1.00 0.00 H new ATOM 0 HB3 GLU A 69 1.438 1.439 -16.340 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.722 0.473 -14.668 1.00 0.00 H new ATOM 0 HG3 GLU A 69 3.570 -0.192 -16.282 1.00 0.00 H new ATOM 1067 N GLU A 70 -0.943 0.882 -13.447 1.00 0.00 N ATOM 1068 CA GLU A 70 -2.382 1.113 -13.412 1.00 0.00 C ATOM 1069 C GLU A 70 -2.754 2.066 -12.279 1.00 0.00 C ATOM 1070 O GLU A 70 -3.857 2.615 -12.256 1.00 0.00 O ATOM 1071 CB GLU A 70 -3.139 -0.209 -13.264 1.00 0.00 C ATOM 1072 CG GLU A 70 -2.769 -0.993 -12.016 1.00 0.00 C ATOM 1073 CD GLU A 70 -3.649 -2.207 -11.817 1.00 0.00 C ATOM 1074 OE1 GLU A 70 -3.354 -3.263 -12.414 1.00 0.00 O ATOM 1075 OE2 GLU A 70 -4.642 -2.111 -11.066 1.00 0.00 O ATOM 0 H GLU A 70 -0.615 0.143 -12.825 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.670 1.574 -14.357 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -4.209 -0.004 -13.248 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.946 -0.827 -14.141 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.728 -1.309 -12.084 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -2.849 -0.343 -11.145 1.00 0.00 H new ATOM 1082 N ILE A 71 -1.827 2.269 -11.348 1.00 0.00 N ATOM 1083 CA ILE A 71 -2.068 3.160 -10.217 1.00 0.00 C ATOM 1084 C ILE A 71 -1.061 4.315 -10.202 1.00 0.00 C ATOM 1085 O ILE A 71 -1.350 5.402 -9.710 1.00 0.00 O ATOM 1086 CB ILE A 71 -2.018 2.393 -8.873 1.00 0.00 C ATOM 1087 CG1 ILE A 71 -0.590 1.953 -8.532 1.00 0.00 C ATOM 1088 CG2 ILE A 71 -2.932 1.176 -8.932 1.00 0.00 C ATOM 1089 CD1 ILE A 71 -0.471 1.249 -7.195 1.00 0.00 C ATOM 0 H ILE A 71 -0.906 1.831 -11.353 1.00 0.00 H new ATOM 0 HA ILE A 71 -3.070 3.573 -10.338 1.00 0.00 H new ATOM 0 HB ILE A 71 -2.361 3.069 -8.090 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.227 1.288 -9.316 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.060 2.828 -8.531 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.890 0.643 -7.982 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.956 1.499 -9.122 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.605 0.514 -9.734 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.568 0.968 -7.023 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.802 1.918 -6.401 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.093 0.354 -7.198 1.00 0.00 H new ATOM 1101 N ILE A 72 0.112 4.072 -10.774 1.00 0.00 N ATOM 1102 CA ILE A 72 1.188 5.065 -10.848 1.00 0.00 C ATOM 1103 C ILE A 72 0.746 6.320 -11.594 1.00 0.00 C ATOM 1104 O ILE A 72 1.274 7.411 -11.384 1.00 0.00 O ATOM 1105 CB ILE A 72 2.403 4.442 -11.554 1.00 0.00 C ATOM 1106 CG1 ILE A 72 3.681 5.240 -11.292 1.00 0.00 C ATOM 1107 CG2 ILE A 72 2.156 4.286 -13.046 1.00 0.00 C ATOM 1108 CD1 ILE A 72 4.028 6.231 -12.384 1.00 0.00 C ATOM 0 H ILE A 72 0.349 3.178 -11.203 1.00 0.00 H new ATOM 0 HA ILE A 72 1.452 5.359 -9.832 1.00 0.00 H new ATOM 0 HB ILE A 72 2.544 3.447 -11.131 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.574 5.777 -10.350 1.00 0.00 H new ATOM 0 HG13 ILE A 72 4.512 4.545 -11.170 1.00 0.00 H new ATOM 0 HG21 ILE A 72 3.034 3.843 -13.516 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.293 3.639 -13.206 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.963 5.264 -13.487 1.00 0.00 H new ATOM 0 HD11 ILE A 72 4.947 6.755 -12.121 1.00 0.00 H new ATOM 0 HD12 ILE A 72 4.170 5.700 -13.325 1.00 0.00 H new ATOM 0 HD13 ILE A 72 3.217 6.952 -12.492 1.00 0.00 H new ATOM 1120 N ASN A 73 -0.243 6.167 -12.444 1.00 0.00 N ATOM 1121 CA ASN A 73 -0.741 7.276 -13.221 1.00 0.00 C ATOM 1122 C ASN A 73 -1.922 7.928 -12.518 1.00 0.00 C ATOM 1123 O ASN A 73 -2.714 8.642 -13.133 1.00 0.00 O ATOM 1124 CB ASN A 73 -1.144 6.781 -14.600 1.00 0.00 C ATOM 1125 CG ASN A 73 -0.795 7.764 -15.699 1.00 0.00 C ATOM 1126 OD1 ASN A 73 -1.559 8.683 -15.995 1.00 0.00 O ATOM 1127 ND2 ASN A 73 0.353 7.564 -16.326 1.00 0.00 N ATOM 0 H ASN A 73 -0.719 5.281 -12.615 1.00 0.00 H new ATOM 0 HA ASN A 73 0.043 8.026 -13.326 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -0.650 5.830 -14.799 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -2.217 6.592 -14.614 1.00 0.00 H new ATOM 0 HD21 ASN A 73 0.634 8.184 -17.086 1.00 0.00 H new ATOM 0 HD22 ASN A 73 0.957 6.790 -16.049 1.00 0.00 H new ATOM 1134 N GLY A 74 -2.034 7.673 -11.220 1.00 0.00 N ATOM 1135 CA GLY A 74 -3.122 8.247 -10.449 1.00 0.00 C ATOM 1136 C GLY A 74 -2.783 8.388 -8.982 1.00 0.00 C ATOM 1137 O GLY A 74 -2.943 7.427 -8.235 1.00 0.00 O ATOM 0 H GLY A 74 -1.394 7.082 -10.689 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -3.374 9.226 -10.856 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -4.008 7.621 -10.555 1.00 0.00 H new ATOM 1141 N LYS A 75 -2.286 9.588 -8.618 1.00 0.00 N ATOM 1142 CA LYS A 75 -1.899 9.975 -7.241 1.00 0.00 C ATOM 1143 C LYS A 75 -2.012 8.827 -6.245 1.00 0.00 C ATOM 1144 O LYS A 75 -3.095 8.522 -5.743 1.00 0.00 O ATOM 1145 CB LYS A 75 -2.736 11.168 -6.774 1.00 0.00 C ATOM 1146 CG LYS A 75 -2.201 11.842 -5.520 1.00 0.00 C ATOM 1147 CD LYS A 75 -1.682 13.243 -5.811 1.00 0.00 C ATOM 1148 CE LYS A 75 -1.162 13.915 -4.550 1.00 0.00 C ATOM 1149 NZ LYS A 75 -0.681 15.297 -4.803 1.00 0.00 N ATOM 0 H LYS A 75 -2.138 10.339 -9.293 1.00 0.00 H new ATOM 0 HA LYS A 75 -0.846 10.255 -7.276 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -2.784 11.903 -7.578 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.756 10.833 -6.588 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.991 11.895 -4.770 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.399 11.238 -5.096 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -0.885 13.191 -6.552 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -2.480 13.846 -6.244 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.954 13.940 -3.802 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.349 13.321 -4.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.141 15.633 -3.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -0.070 15.303 -5.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -1.495 15.924 -4.962 1.00 0.00 H new ATOM 1163 N CYS A 76 -0.882 8.215 -5.948 1.00 0.00 N ATOM 1164 CA CYS A 76 -0.858 7.072 -5.049 1.00 0.00 C ATOM 1165 C CYS A 76 -0.309 7.444 -3.691 1.00 0.00 C ATOM 1166 O CYS A 76 0.053 8.593 -3.442 1.00 0.00 O ATOM 1167 CB CYS A 76 -0.034 5.934 -5.649 1.00 0.00 C ATOM 1168 SG CYS A 76 -0.940 4.927 -6.837 1.00 0.00 S ATOM 0 H CYS A 76 0.030 8.487 -6.314 1.00 0.00 H new ATOM 0 HA CYS A 76 -1.887 6.738 -4.919 1.00 0.00 H new ATOM 0 HB2 CYS A 76 0.845 6.353 -6.138 1.00 0.00 H new ATOM 0 HB3 CYS A 76 0.325 5.294 -4.843 1.00 0.00 H new ATOM 0 HG CYS A 76 -0.905 5.497 -8.005 1.00 0.00 H new ATOM 1174 N PHE A 77 -0.269 6.463 -2.813 1.00 0.00 N ATOM 1175 CA PHE A 77 0.217 6.649 -1.466 1.00 0.00 C ATOM 1176 C PHE A 77 0.947 5.415 -0.983 1.00 0.00 C ATOM 1177 O PHE A 77 0.376 4.322 -0.936 1.00 0.00 O ATOM 1178 CB PHE A 77 -0.955 6.944 -0.529 1.00 0.00 C ATOM 1179 CG PHE A 77 -1.735 8.155 -0.928 1.00 0.00 C ATOM 1180 CD1 PHE A 77 -2.971 8.034 -1.543 1.00 0.00 C ATOM 1181 CD2 PHE A 77 -1.216 9.416 -0.709 1.00 0.00 C ATOM 1182 CE1 PHE A 77 -3.672 9.152 -1.930 1.00 0.00 C ATOM 1183 CE2 PHE A 77 -1.914 10.539 -1.090 1.00 0.00 C ATOM 1184 CZ PHE A 77 -3.141 10.408 -1.701 1.00 0.00 C ATOM 0 H PHE A 77 -0.574 5.511 -3.017 1.00 0.00 H new ATOM 0 HA PHE A 77 0.911 7.490 -1.465 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.621 6.081 -0.507 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -0.577 7.080 0.484 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -3.387 7.053 -1.720 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -0.252 9.522 -0.234 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -4.634 9.049 -2.411 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.501 11.520 -0.910 1.00 0.00 H new ATOM 0 HZ PHE A 77 -3.690 11.288 -2.002 1.00 0.00 H new ATOM 1194 N PHE A 78 2.216 5.577 -0.660 1.00 0.00 N ATOM 1195 CA PHE A 78 2.991 4.469 -0.139 1.00 0.00 C ATOM 1196 C PHE A 78 2.723 4.398 1.346 1.00 0.00 C ATOM 1197 O PHE A 78 3.278 5.170 2.132 1.00 0.00 O ATOM 1198 CB PHE A 78 4.485 4.630 -0.407 1.00 0.00 C ATOM 1199 CG PHE A 78 5.269 3.375 -0.140 1.00 0.00 C ATOM 1200 CD1 PHE A 78 5.285 2.348 -1.066 1.00 0.00 C ATOM 1201 CD2 PHE A 78 5.982 3.218 1.039 1.00 0.00 C ATOM 1202 CE1 PHE A 78 5.999 1.190 -0.827 1.00 0.00 C ATOM 1203 CE2 PHE A 78 6.698 2.061 1.283 1.00 0.00 C ATOM 1204 CZ PHE A 78 6.705 1.045 0.348 1.00 0.00 C ATOM 0 H PHE A 78 2.727 6.455 -0.748 1.00 0.00 H new ATOM 0 HA PHE A 78 2.693 3.548 -0.640 1.00 0.00 H new ATOM 0 HB2 PHE A 78 4.632 4.930 -1.445 1.00 0.00 H new ATOM 0 HB3 PHE A 78 4.875 5.435 0.216 1.00 0.00 H new ATOM 0 HD1 PHE A 78 4.732 2.453 -1.988 1.00 0.00 H new ATOM 0 HD2 PHE A 78 5.978 4.009 1.775 1.00 0.00 H new ATOM 0 HE1 PHE A 78 6.004 0.398 -1.561 1.00 0.00 H new ATOM 0 HE2 PHE A 78 7.251 1.952 2.204 1.00 0.00 H new ATOM 0 HZ PHE A 78 7.262 0.139 0.537 1.00 0.00 H new ATOM 1214 N ILE A 79 1.831 3.508 1.715 1.00 0.00 N ATOM 1215 CA ILE A 79 1.444 3.352 3.097 1.00 0.00 C ATOM 1216 C ILE A 79 2.052 2.136 3.714 1.00 0.00 C ATOM 1217 O ILE A 79 2.620 1.264 3.055 1.00 0.00 O ATOM 1218 CB ILE A 79 -0.077 3.206 3.267 1.00 0.00 C ATOM 1219 CG1 ILE A 79 -0.499 1.803 2.823 1.00 0.00 C ATOM 1220 CG2 ILE A 79 -0.832 4.282 2.505 1.00 0.00 C ATOM 1221 CD1 ILE A 79 -1.938 1.707 2.406 1.00 0.00 C ATOM 0 H ILE A 79 1.356 2.876 1.070 1.00 0.00 H new ATOM 0 HA ILE A 79 1.799 4.258 3.587 1.00 0.00 H new ATOM 0 HB ILE A 79 -0.330 3.338 4.319 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.132 1.490 1.991 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.320 1.104 3.640 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.904 4.146 2.649 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.538 5.264 2.875 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.597 4.209 1.443 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -2.162 0.684 2.105 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -2.579 1.988 3.242 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -2.120 2.380 1.568 1.00 0.00 H new ATOM 1233 N HIS A 80 1.894 2.117 4.996 1.00 0.00 N ATOM 1234 CA HIS A 80 2.321 1.044 5.815 1.00 0.00 C ATOM 1235 C HIS A 80 1.152 0.753 6.740 1.00 0.00 C ATOM 1236 O HIS A 80 0.821 1.557 7.616 1.00 0.00 O ATOM 1237 CB HIS A 80 3.599 1.455 6.537 1.00 0.00 C ATOM 1238 CG HIS A 80 3.864 0.709 7.792 1.00 0.00 C ATOM 1239 ND1 HIS A 80 4.686 -0.385 7.859 1.00 0.00 N ATOM 1240 CD2 HIS A 80 3.416 0.928 9.037 1.00 0.00 C ATOM 1241 CE1 HIS A 80 4.731 -0.821 9.102 1.00 0.00 C ATOM 1242 NE2 HIS A 80 3.963 -0.038 9.847 1.00 0.00 N ATOM 0 H HIS A 80 1.449 2.875 5.514 1.00 0.00 H new ATOM 0 HA HIS A 80 2.574 0.136 5.267 1.00 0.00 H new ATOM 0 HB2 HIS A 80 4.443 1.316 5.862 1.00 0.00 H new ATOM 0 HB3 HIS A 80 3.546 2.519 6.766 1.00 0.00 H new ATOM 0 HD1 HIS A 80 5.185 -0.797 7.071 1.00 0.00 H new ATOM 0 HD2 HIS A 80 2.748 1.718 9.346 1.00 0.00 H new ATOM 0 HE1 HIS A 80 5.297 -1.671 9.454 1.00 0.00 H new ATOM 1251 N TYR A 81 0.472 -0.349 6.459 1.00 0.00 N ATOM 1252 CA TYR A 81 -0.706 -0.754 7.213 1.00 0.00 C ATOM 1253 C TYR A 81 -0.471 -0.678 8.722 1.00 0.00 C ATOM 1254 O TYR A 81 0.457 -1.289 9.257 1.00 0.00 O ATOM 1255 CB TYR A 81 -1.136 -2.156 6.788 1.00 0.00 C ATOM 1256 CG TYR A 81 -1.628 -2.208 5.357 1.00 0.00 C ATOM 1257 CD1 TYR A 81 -0.834 -2.730 4.343 1.00 0.00 C ATOM 1258 CD2 TYR A 81 -2.881 -1.710 5.015 1.00 0.00 C ATOM 1259 CE1 TYR A 81 -1.273 -2.753 3.031 1.00 0.00 C ATOM 1260 CE2 TYR A 81 -3.326 -1.736 3.707 1.00 0.00 C ATOM 1261 CZ TYR A 81 -2.519 -2.256 2.721 1.00 0.00 C ATOM 1262 OH TYR A 81 -2.958 -2.274 1.419 1.00 0.00 O ATOM 0 H TYR A 81 0.721 -0.987 5.703 1.00 0.00 H new ATOM 0 HA TYR A 81 -1.512 -0.055 6.987 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -0.295 -2.840 6.904 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -1.926 -2.506 7.452 1.00 0.00 H new ATOM 0 HD1 TYR A 81 0.142 -3.124 4.583 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -3.516 -1.296 5.784 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -0.642 -3.159 2.254 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -4.304 -1.350 3.459 1.00 0.00 H new ATOM 0 HH TYR A 81 -2.747 -3.141 1.015 1.00 0.00 H new ATOM 1272 N GLN A 82 -1.306 0.110 9.385 1.00 0.00 N ATOM 1273 CA GLN A 82 -1.227 0.307 10.832 1.00 0.00 C ATOM 1274 C GLN A 82 -1.365 -1.016 11.584 1.00 0.00 C ATOM 1275 O GLN A 82 -2.393 -1.686 11.504 1.00 0.00 O ATOM 1276 CB GLN A 82 -2.316 1.279 11.301 1.00 0.00 C ATOM 1277 CG GLN A 82 -2.080 2.723 10.883 1.00 0.00 C ATOM 1278 CD GLN A 82 -2.084 3.683 12.059 1.00 0.00 C ATOM 1279 OE1 GLN A 82 -1.425 4.721 12.025 1.00 0.00 O ATOM 1280 NE2 GLN A 82 -2.828 3.349 13.102 1.00 0.00 N ATOM 0 H GLN A 82 -2.059 0.633 8.938 1.00 0.00 H new ATOM 0 HA GLN A 82 -0.246 0.728 11.052 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -3.277 0.950 10.906 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -2.386 1.233 12.388 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -1.124 2.795 10.364 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -2.851 3.022 10.173 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -3.360 2.479 13.091 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -2.869 3.962 13.916 1.00 0.00 H new ATOM 1289 N GLY A 83 -0.317 -1.380 12.310 1.00 0.00 N ATOM 1290 CA GLY A 83 -0.337 -2.610 13.076 1.00 0.00 C ATOM 1291 C GLY A 83 0.343 -3.756 12.357 1.00 0.00 C ATOM 1292 O GLY A 83 0.551 -4.828 12.936 1.00 0.00 O ATOM 0 H GLY A 83 0.548 -0.844 12.382 1.00 0.00 H new ATOM 0 HA2 GLY A 83 0.155 -2.445 14.035 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -1.370 -2.883 13.291 1.00 0.00 H new ATOM 1296 N TRP A 84 0.697 -3.535 11.101 1.00 0.00 N ATOM 1297 CA TRP A 84 1.352 -4.563 10.313 1.00 0.00 C ATOM 1298 C TRP A 84 2.851 -4.314 10.209 1.00 0.00 C ATOM 1299 O TRP A 84 3.365 -3.300 10.683 1.00 0.00 O ATOM 1300 CB TRP A 84 0.720 -4.667 8.925 1.00 0.00 C ATOM 1301 CG TRP A 84 -0.570 -5.433 8.931 1.00 0.00 C ATOM 1302 CD1 TRP A 84 -1.804 -4.969 8.571 1.00 0.00 C ATOM 1303 CD2 TRP A 84 -0.756 -6.796 9.331 1.00 0.00 C ATOM 1304 NE1 TRP A 84 -2.745 -5.960 8.723 1.00 0.00 N ATOM 1305 CE2 TRP A 84 -2.124 -7.091 9.184 1.00 0.00 C ATOM 1306 CE3 TRP A 84 0.101 -7.796 9.797 1.00 0.00 C ATOM 1307 CZ2 TRP A 84 -2.653 -8.347 9.487 1.00 0.00 C ATOM 1308 CZ3 TRP A 84 -0.423 -9.038 10.098 1.00 0.00 C ATOM 1309 CH2 TRP A 84 -1.789 -9.307 9.942 1.00 0.00 C ATOM 0 H TRP A 84 0.542 -2.656 10.608 1.00 0.00 H new ATOM 0 HA TRP A 84 1.211 -5.514 10.826 1.00 0.00 H new ATOM 0 HB2 TRP A 84 0.541 -3.665 8.536 1.00 0.00 H new ATOM 0 HB3 TRP A 84 1.422 -5.151 8.246 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -2.010 -3.969 8.218 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -3.741 -5.868 8.525 1.00 0.00 H new ATOM 0 HE3 TRP A 84 1.156 -7.601 9.920 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -3.706 -8.554 9.367 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 0.232 -9.816 10.460 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -2.167 -10.289 10.185 1.00 0.00 H new ATOM 1320 N LYS A 85 3.542 -5.253 9.585 1.00 0.00 N ATOM 1321 CA LYS A 85 4.988 -5.179 9.427 1.00 0.00 C ATOM 1322 C LYS A 85 5.375 -4.326 8.216 1.00 0.00 C ATOM 1323 O LYS A 85 4.536 -4.007 7.375 1.00 0.00 O ATOM 1324 CB LYS A 85 5.556 -6.596 9.284 1.00 0.00 C ATOM 1325 CG LYS A 85 7.073 -6.661 9.338 1.00 0.00 C ATOM 1326 CD LYS A 85 7.604 -6.317 10.725 1.00 0.00 C ATOM 1327 CE LYS A 85 7.266 -7.401 11.735 1.00 0.00 C ATOM 1328 NZ LYS A 85 7.645 -7.010 13.117 1.00 0.00 N ATOM 0 H LYS A 85 3.120 -6.086 9.174 1.00 0.00 H new ATOM 0 HA LYS A 85 5.410 -4.702 10.312 1.00 0.00 H new ATOM 0 HB2 LYS A 85 5.147 -7.222 10.077 1.00 0.00 H new ATOM 0 HB3 LYS A 85 5.218 -7.018 8.338 1.00 0.00 H new ATOM 0 HG2 LYS A 85 7.404 -7.661 9.059 1.00 0.00 H new ATOM 0 HG3 LYS A 85 7.493 -5.971 8.606 1.00 0.00 H new ATOM 0 HD2 LYS A 85 8.685 -6.185 10.679 1.00 0.00 H new ATOM 0 HD3 LYS A 85 7.180 -5.368 11.053 1.00 0.00 H new ATOM 0 HE2 LYS A 85 6.197 -7.611 11.698 1.00 0.00 H new ATOM 0 HE3 LYS A 85 7.782 -8.322 11.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 7.398 -7.777 13.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 8.669 -6.834 13.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 7.134 -6.145 13.386 1.00 0.00 H new ATOM 1342 N SER A 86 6.655 -3.965 8.139 1.00 0.00 N ATOM 1343 CA SER A 86 7.185 -3.161 7.045 1.00 0.00 C ATOM 1344 C SER A 86 7.148 -3.921 5.717 1.00 0.00 C ATOM 1345 O SER A 86 7.315 -3.335 4.649 1.00 0.00 O ATOM 1346 CB SER A 86 8.613 -2.749 7.381 1.00 0.00 C ATOM 1347 OG SER A 86 8.773 -2.647 8.788 1.00 0.00 O ATOM 0 H SER A 86 7.353 -4.224 8.836 1.00 0.00 H new ATOM 0 HA SER A 86 6.560 -2.276 6.927 1.00 0.00 H new ATOM 0 HB2 SER A 86 9.315 -3.480 6.979 1.00 0.00 H new ATOM 0 HB3 SER A 86 8.844 -1.793 6.911 1.00 0.00 H new ATOM 0 HG SER A 86 9.694 -2.383 8.994 1.00 0.00 H new ATOM 1353 N SER A 87 6.941 -5.232 5.782 1.00 0.00 N ATOM 1354 CA SER A 87 6.852 -6.046 4.578 1.00 0.00 C ATOM 1355 C SER A 87 5.484 -5.862 3.929 1.00 0.00 C ATOM 1356 O SER A 87 5.230 -6.353 2.829 1.00 0.00 O ATOM 1357 CB SER A 87 7.093 -7.518 4.919 1.00 0.00 C ATOM 1358 OG SER A 87 7.262 -7.695 6.319 1.00 0.00 O ATOM 0 H SER A 87 6.832 -5.751 6.653 1.00 0.00 H new ATOM 0 HA SER A 87 7.619 -5.727 3.872 1.00 0.00 H new ATOM 0 HB2 SER A 87 6.252 -8.118 4.572 1.00 0.00 H new ATOM 0 HB3 SER A 87 7.978 -7.876 4.394 1.00 0.00 H new ATOM 0 HG SER A 87 7.413 -8.644 6.513 1.00 0.00 H new ATOM 1364 N TRP A 88 4.610 -5.131 4.617 1.00 0.00 N ATOM 1365 CA TRP A 88 3.272 -4.873 4.123 1.00 0.00 C ATOM 1366 C TRP A 88 3.189 -3.481 3.508 1.00 0.00 C ATOM 1367 O TRP A 88 2.113 -3.023 3.127 1.00 0.00 O ATOM 1368 CB TRP A 88 2.243 -5.020 5.242 1.00 0.00 C ATOM 1369 CG TRP A 88 1.841 -6.440 5.487 1.00 0.00 C ATOM 1370 CD1 TRP A 88 2.154 -7.207 6.568 1.00 0.00 C ATOM 1371 CD2 TRP A 88 1.052 -7.267 4.625 1.00 0.00 C ATOM 1372 NE1 TRP A 88 1.602 -8.459 6.436 1.00 0.00 N ATOM 1373 CE2 TRP A 88 0.920 -8.521 5.250 1.00 0.00 C ATOM 1374 CE3 TRP A 88 0.440 -7.065 3.386 1.00 0.00 C ATOM 1375 CZ2 TRP A 88 0.202 -9.566 4.676 1.00 0.00 C ATOM 1376 CZ3 TRP A 88 -0.272 -8.103 2.818 1.00 0.00 C ATOM 1377 CH2 TRP A 88 -0.387 -9.339 3.461 1.00 0.00 C ATOM 0 H TRP A 88 4.812 -4.708 5.523 1.00 0.00 H new ATOM 0 HA TRP A 88 3.047 -5.609 3.351 1.00 0.00 H new ATOM 0 HB2 TRP A 88 2.652 -4.601 6.161 1.00 0.00 H new ATOM 0 HB3 TRP A 88 1.357 -4.436 4.992 1.00 0.00 H new ATOM 0 HD1 TRP A 88 2.750 -6.879 7.407 1.00 0.00 H new ATOM 0 HE1 TRP A 88 1.687 -9.218 7.112 1.00 0.00 H new ATOM 0 HE3 TRP A 88 0.522 -6.114 2.881 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 0.113 -10.522 5.171 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -0.749 -7.957 1.860 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -0.951 -10.130 2.990 1.00 0.00 H new ATOM 1388 N ASP A 89 4.332 -2.808 3.437 1.00 0.00 N ATOM 1389 CA ASP A 89 4.403 -1.475 2.854 1.00 0.00 C ATOM 1390 C ASP A 89 4.107 -1.567 1.360 1.00 0.00 C ATOM 1391 O ASP A 89 4.897 -2.137 0.603 1.00 0.00 O ATOM 1392 CB ASP A 89 5.789 -0.863 3.075 1.00 0.00 C ATOM 1393 CG ASP A 89 6.052 -0.449 4.516 1.00 0.00 C ATOM 1394 OD1 ASP A 89 5.477 -1.064 5.447 1.00 0.00 O ATOM 1395 OD2 ASP A 89 6.858 0.484 4.726 1.00 0.00 O ATOM 0 H ASP A 89 5.224 -3.166 3.777 1.00 0.00 H new ATOM 0 HA ASP A 89 3.666 -0.834 3.338 1.00 0.00 H new ATOM 0 HB2 ASP A 89 6.548 -1.583 2.769 1.00 0.00 H new ATOM 0 HB3 ASP A 89 5.899 0.009 2.430 1.00 0.00 H new ATOM 1400 N GLU A 90 2.973 -1.019 0.943 1.00 0.00 N ATOM 1401 CA GLU A 90 2.568 -1.084 -0.456 1.00 0.00 C ATOM 1402 C GLU A 90 2.103 0.271 -0.979 1.00 0.00 C ATOM 1403 O GLU A 90 2.024 1.253 -0.239 1.00 0.00 O ATOM 1404 CB GLU A 90 1.440 -2.107 -0.633 1.00 0.00 C ATOM 1405 CG GLU A 90 1.922 -3.535 -0.792 1.00 0.00 C ATOM 1406 CD GLU A 90 1.595 -4.105 -2.158 1.00 0.00 C ATOM 1407 OE1 GLU A 90 2.317 -5.019 -2.612 1.00 0.00 O ATOM 1408 OE2 GLU A 90 0.619 -3.644 -2.791 1.00 0.00 O ATOM 0 H GLU A 90 2.319 -0.526 1.551 1.00 0.00 H new ATOM 0 HA GLU A 90 3.443 -1.389 -1.031 1.00 0.00 H new ATOM 0 HB2 GLU A 90 0.776 -2.053 0.229 1.00 0.00 H new ATOM 0 HB3 GLU A 90 0.850 -1.834 -1.508 1.00 0.00 H new ATOM 0 HG2 GLU A 90 3.000 -3.572 -0.634 1.00 0.00 H new ATOM 0 HG3 GLU A 90 1.466 -4.158 -0.022 1.00 0.00 H new ATOM 1415 N TRP A 91 1.782 0.299 -2.265 1.00 0.00 N ATOM 1416 CA TRP A 91 1.311 1.504 -2.929 1.00 0.00 C ATOM 1417 C TRP A 91 -0.198 1.431 -3.125 1.00 0.00 C ATOM 1418 O TRP A 91 -0.699 0.501 -3.757 1.00 0.00 O ATOM 1419 CB TRP A 91 1.963 1.661 -4.308 1.00 0.00 C ATOM 1420 CG TRP A 91 3.356 2.215 -4.307 1.00 0.00 C ATOM 1421 CD1 TRP A 91 4.512 1.521 -4.533 1.00 0.00 C ATOM 1422 CD2 TRP A 91 3.746 3.584 -4.101 1.00 0.00 C ATOM 1423 NE1 TRP A 91 5.591 2.371 -4.494 1.00 0.00 N ATOM 1424 CE2 TRP A 91 5.147 3.641 -4.223 1.00 0.00 C ATOM 1425 CE3 TRP A 91 3.048 4.768 -3.824 1.00 0.00 C ATOM 1426 CZ2 TRP A 91 5.857 4.831 -4.086 1.00 0.00 C ATOM 1427 CZ3 TRP A 91 3.762 5.946 -3.685 1.00 0.00 C ATOM 1428 CH2 TRP A 91 5.151 5.966 -3.819 1.00 0.00 C ATOM 0 H TRP A 91 1.841 -0.515 -2.877 1.00 0.00 H new ATOM 0 HA TRP A 91 1.576 2.355 -2.301 1.00 0.00 H new ATOM 0 HB2 TRP A 91 1.979 0.686 -4.795 1.00 0.00 H new ATOM 0 HB3 TRP A 91 1.333 2.311 -4.916 1.00 0.00 H new ATOM 0 HD1 TRP A 91 4.569 0.458 -4.716 1.00 0.00 H new ATOM 0 HE1 TRP A 91 6.564 2.102 -4.642 1.00 0.00 H new ATOM 0 HE3 TRP A 91 1.973 4.761 -3.721 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 6.932 4.854 -4.188 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 3.236 6.864 -3.469 1.00 0.00 H new ATOM 0 HH2 TRP A 91 5.678 6.902 -3.709 1.00 0.00 H new ATOM 1439 N VAL A 92 -0.923 2.388 -2.574 1.00 0.00 N ATOM 1440 CA VAL A 92 -2.369 2.425 -2.741 1.00 0.00 C ATOM 1441 C VAL A 92 -2.779 3.714 -3.430 1.00 0.00 C ATOM 1442 O VAL A 92 -2.196 4.762 -3.183 1.00 0.00 O ATOM 1443 CB VAL A 92 -3.136 2.302 -1.410 1.00 0.00 C ATOM 1444 CG1 VAL A 92 -2.945 0.914 -0.816 1.00 0.00 C ATOM 1445 CG2 VAL A 92 -2.703 3.381 -0.434 1.00 0.00 C ATOM 0 H VAL A 92 -0.540 3.146 -2.010 1.00 0.00 H new ATOM 0 HA VAL A 92 -2.631 1.560 -3.351 1.00 0.00 H new ATOM 0 HB VAL A 92 -4.198 2.444 -1.608 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.492 0.842 0.124 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.321 0.165 -1.513 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.885 0.739 -0.633 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.258 3.273 0.498 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.636 3.284 -0.234 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.903 4.362 -0.864 1.00 0.00 H new ATOM 1455 N GLY A 93 -3.772 3.640 -4.292 1.00 0.00 N ATOM 1456 CA GLY A 93 -4.217 4.827 -4.991 1.00 0.00 C ATOM 1457 C GLY A 93 -5.575 5.263 -4.505 1.00 0.00 C ATOM 1458 O GLY A 93 -6.179 4.575 -3.695 1.00 0.00 O ATOM 0 H GLY A 93 -4.279 2.786 -4.523 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -3.498 5.632 -4.842 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.256 4.629 -6.062 1.00 0.00 H new ATOM 1462 N TYR A 94 -6.060 6.391 -5.001 1.00 0.00 N ATOM 1463 CA TYR A 94 -7.379 6.920 -4.622 1.00 0.00 C ATOM 1464 C TYR A 94 -8.503 5.960 -4.989 1.00 0.00 C ATOM 1465 O TYR A 94 -9.667 6.186 -4.667 1.00 0.00 O ATOM 1466 CB TYR A 94 -7.630 8.245 -5.322 1.00 0.00 C ATOM 1467 CG TYR A 94 -6.964 9.410 -4.661 1.00 0.00 C ATOM 1468 CD1 TYR A 94 -7.199 9.692 -3.328 1.00 0.00 C ATOM 1469 CD2 TYR A 94 -6.104 10.224 -5.369 1.00 0.00 C ATOM 1470 CE1 TYR A 94 -6.594 10.763 -2.716 1.00 0.00 C ATOM 1471 CE2 TYR A 94 -5.490 11.297 -4.769 1.00 0.00 C ATOM 1472 CZ TYR A 94 -5.735 11.566 -3.439 1.00 0.00 C ATOM 1473 OH TYR A 94 -5.124 12.641 -2.835 1.00 0.00 O ATOM 0 H TYR A 94 -5.560 6.970 -5.675 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.372 7.053 -3.540 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -7.280 8.174 -6.352 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -8.704 8.427 -5.362 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -7.867 9.062 -2.760 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -5.910 10.015 -6.411 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -6.789 10.975 -1.675 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -4.819 11.926 -5.336 1.00 0.00 H new ATOM 0 HH TYR A 94 -4.551 13.099 -3.485 1.00 0.00 H new ATOM 1483 N ASP A 95 -8.137 4.903 -5.668 1.00 0.00 N ATOM 1484 CA ASP A 95 -9.092 3.898 -6.111 1.00 0.00 C ATOM 1485 C ASP A 95 -9.163 2.761 -5.102 1.00 0.00 C ATOM 1486 O ASP A 95 -10.125 1.996 -5.071 1.00 0.00 O ATOM 1487 CB ASP A 95 -8.717 3.374 -7.501 1.00 0.00 C ATOM 1488 CG ASP A 95 -7.496 2.477 -7.489 1.00 0.00 C ATOM 1489 OD1 ASP A 95 -6.482 2.857 -6.865 1.00 0.00 O ATOM 1490 OD2 ASP A 95 -7.551 1.392 -8.113 1.00 0.00 O ATOM 0 H ASP A 95 -7.172 4.707 -5.933 1.00 0.00 H new ATOM 0 HA ASP A 95 -10.078 4.358 -6.180 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -9.561 2.823 -7.915 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -8.533 4.219 -8.164 1.00 0.00 H new ATOM 1495 N ARG A 96 -8.138 2.661 -4.267 1.00 0.00 N ATOM 1496 CA ARG A 96 -8.095 1.637 -3.234 1.00 0.00 C ATOM 1497 C ARG A 96 -8.175 2.314 -1.883 1.00 0.00 C ATOM 1498 O ARG A 96 -8.723 1.778 -0.923 1.00 0.00 O ATOM 1499 CB ARG A 96 -6.797 0.820 -3.304 1.00 0.00 C ATOM 1500 CG ARG A 96 -6.344 0.487 -4.712 1.00 0.00 C ATOM 1501 CD ARG A 96 -7.116 -0.678 -5.296 1.00 0.00 C ATOM 1502 NE ARG A 96 -6.926 -0.766 -6.739 1.00 0.00 N ATOM 1503 CZ ARG A 96 -6.311 -1.768 -7.354 1.00 0.00 C ATOM 1504 NH1 ARG A 96 -5.732 -2.735 -6.652 1.00 0.00 N ATOM 1505 NH2 ARG A 96 -6.240 -1.777 -8.675 1.00 0.00 N ATOM 0 H ARG A 96 -7.325 3.277 -4.285 1.00 0.00 H new ATOM 0 HA ARG A 96 -8.933 0.957 -3.385 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -6.005 1.375 -2.802 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -6.936 -0.109 -2.750 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -6.470 1.362 -5.350 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -5.280 0.249 -4.704 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -6.790 -1.606 -4.826 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -8.177 -0.563 -5.072 1.00 0.00 H new ATOM 0 HE ARG A 96 -7.290 -0.006 -7.314 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -5.758 -2.711 -5.633 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -5.261 -3.502 -7.132 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -6.656 -1.017 -9.213 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -5.769 -2.544 -9.155 1.00 0.00 H new ATOM 1519 N ILE A 97 -7.630 3.511 -1.837 1.00 0.00 N ATOM 1520 CA ILE A 97 -7.582 4.298 -0.634 1.00 0.00 C ATOM 1521 C ILE A 97 -8.842 5.147 -0.461 1.00 0.00 C ATOM 1522 O ILE A 97 -9.464 5.582 -1.438 1.00 0.00 O ATOM 1523 CB ILE A 97 -6.334 5.215 -0.642 1.00 0.00 C ATOM 1524 CG1 ILE A 97 -5.735 5.289 0.747 1.00 0.00 C ATOM 1525 CG2 ILE A 97 -6.671 6.606 -1.140 1.00 0.00 C ATOM 1526 CD1 ILE A 97 -4.750 6.420 0.938 1.00 0.00 C ATOM 0 H ILE A 97 -7.205 3.965 -2.645 1.00 0.00 H new ATOM 0 HA ILE A 97 -7.523 3.606 0.206 1.00 0.00 H new ATOM 0 HB ILE A 97 -5.604 4.783 -1.327 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -6.541 5.398 1.473 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -5.235 4.346 0.965 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -5.772 7.223 -1.132 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -7.060 6.544 -2.156 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -7.423 7.053 -0.490 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -4.368 6.402 1.959 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -3.922 6.303 0.239 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -5.249 7.372 0.754 1.00 0.00 H new ATOM 1538 N ARG A 98 -9.228 5.323 0.789 1.00 0.00 N ATOM 1539 CA ARG A 98 -10.371 6.140 1.167 1.00 0.00 C ATOM 1540 C ARG A 98 -9.972 6.898 2.427 1.00 0.00 C ATOM 1541 O ARG A 98 -8.841 6.758 2.886 1.00 0.00 O ATOM 1542 CB ARG A 98 -11.645 5.309 1.421 1.00 0.00 C ATOM 1543 CG ARG A 98 -11.580 3.846 0.981 1.00 0.00 C ATOM 1544 CD ARG A 98 -11.706 3.674 -0.528 1.00 0.00 C ATOM 1545 NE ARG A 98 -12.971 4.186 -1.055 1.00 0.00 N ATOM 1546 CZ ARG A 98 -13.058 5.005 -2.104 1.00 0.00 C ATOM 1547 NH1 ARG A 98 -11.960 5.508 -2.657 1.00 0.00 N ATOM 1548 NH2 ARG A 98 -14.245 5.339 -2.582 1.00 0.00 N ATOM 0 H ARG A 98 -8.751 4.897 1.583 1.00 0.00 H new ATOM 0 HA ARG A 98 -10.619 6.815 0.348 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -11.870 5.339 2.487 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -12.478 5.788 0.906 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -10.636 3.414 1.313 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -12.377 3.288 1.473 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -10.879 4.189 -1.018 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -11.616 2.617 -0.777 1.00 0.00 H new ATOM 0 HE ARG A 98 -13.835 3.901 -0.594 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -11.043 5.268 -2.280 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -12.034 6.134 -3.459 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -15.092 4.970 -2.148 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -14.314 5.965 -3.384 1.00 0.00 H new ATOM 1562 N ALA A 99 -10.874 7.661 3.014 1.00 0.00 N ATOM 1563 CA ALA A 99 -10.543 8.418 4.189 1.00 0.00 C ATOM 1564 C ALA A 99 -10.928 7.624 5.397 1.00 0.00 C ATOM 1565 O ALA A 99 -11.904 6.869 5.387 1.00 0.00 O ATOM 1566 CB ALA A 99 -11.248 9.765 4.224 1.00 0.00 C ATOM 0 H ALA A 99 -11.836 7.768 2.692 1.00 0.00 H new ATOM 0 HA ALA A 99 -9.470 8.612 4.175 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -10.966 10.300 5.131 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -10.957 10.351 3.352 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -12.327 9.611 4.214 1.00 0.00 H new ATOM 1572 N TYR A 100 -10.156 7.775 6.418 1.00 0.00 N ATOM 1573 CA TYR A 100 -10.410 7.096 7.645 1.00 0.00 C ATOM 1574 C TYR A 100 -11.322 7.961 8.499 1.00 0.00 C ATOM 1575 O TYR A 100 -10.873 8.872 9.188 1.00 0.00 O ATOM 1576 CB TYR A 100 -9.064 6.863 8.285 1.00 0.00 C ATOM 1577 CG TYR A 100 -9.075 6.203 9.647 1.00 0.00 C ATOM 1578 CD1 TYR A 100 -9.188 4.827 9.746 1.00 0.00 C ATOM 1579 CD2 TYR A 100 -8.950 6.938 10.823 1.00 0.00 C ATOM 1580 CE1 TYR A 100 -9.179 4.198 10.971 1.00 0.00 C ATOM 1581 CE2 TYR A 100 -8.942 6.309 12.059 1.00 0.00 C ATOM 1582 CZ TYR A 100 -9.057 4.936 12.122 1.00 0.00 C ATOM 1583 OH TYR A 100 -9.045 4.289 13.341 1.00 0.00 O ATOM 0 H TYR A 100 -9.330 8.373 6.427 1.00 0.00 H new ATOM 0 HA TYR A 100 -10.915 6.139 7.511 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -8.467 6.248 7.612 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -8.557 7.824 8.374 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -9.285 4.236 8.847 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -8.858 8.013 10.772 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -9.268 3.123 11.026 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -8.847 6.889 12.965 1.00 0.00 H new ATOM 0 HH TYR A 100 -8.467 3.500 13.287 1.00 0.00 H new ATOM 1593 N ASN A 101 -12.612 7.679 8.426 1.00 0.00 N ATOM 1594 CA ASN A 101 -13.594 8.438 9.171 1.00 0.00 C ATOM 1595 C ASN A 101 -14.758 7.553 9.582 1.00 0.00 C ATOM 1596 O ASN A 101 -14.900 6.426 9.106 1.00 0.00 O ATOM 1597 CB ASN A 101 -14.092 9.636 8.353 1.00 0.00 C ATOM 1598 CG ASN A 101 -14.649 9.248 6.997 1.00 0.00 C ATOM 1599 OD1 ASN A 101 -15.475 8.344 6.876 1.00 0.00 O ATOM 1600 ND2 ASN A 101 -14.190 9.932 5.963 1.00 0.00 N ATOM 0 H ASN A 101 -13.001 6.928 7.856 1.00 0.00 H new ATOM 0 HA ASN A 101 -13.115 8.816 10.074 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -14.864 10.158 8.919 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -13.270 10.338 8.213 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -14.521 9.717 5.022 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -13.505 10.674 6.106 1.00 0.00 H new ATOM 1607 N GLU A 102 -15.609 8.109 10.423 1.00 0.00 N ATOM 1608 CA GLU A 102 -16.772 7.407 10.979 1.00 0.00 C ATOM 1609 C GLU A 102 -17.665 6.752 9.921 1.00 0.00 C ATOM 1610 O GLU A 102 -18.303 5.734 10.191 1.00 0.00 O ATOM 1611 CB GLU A 102 -17.624 8.377 11.799 1.00 0.00 C ATOM 1612 CG GLU A 102 -16.818 9.337 12.655 1.00 0.00 C ATOM 1613 CD GLU A 102 -17.688 10.351 13.366 1.00 0.00 C ATOM 1614 OE1 GLU A 102 -18.108 10.084 14.512 1.00 0.00 O ATOM 1615 OE2 GLU A 102 -17.963 11.422 12.786 1.00 0.00 O ATOM 0 H GLU A 102 -15.520 9.071 10.749 1.00 0.00 H new ATOM 0 HA GLU A 102 -16.367 6.609 11.601 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -18.254 8.953 11.121 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -18.290 7.803 12.444 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -16.249 8.771 13.392 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -16.096 9.859 12.028 1.00 0.00 H new ATOM 1622 N GLU A 103 -17.693 7.311 8.722 1.00 0.00 N ATOM 1623 CA GLU A 103 -18.561 6.798 7.670 1.00 0.00 C ATOM 1624 C GLU A 103 -17.929 5.677 6.846 1.00 0.00 C ATOM 1625 O GLU A 103 -18.600 4.700 6.507 1.00 0.00 O ATOM 1626 CB GLU A 103 -18.960 7.940 6.742 1.00 0.00 C ATOM 1627 CG GLU A 103 -20.167 7.622 5.881 1.00 0.00 C ATOM 1628 CD GLU A 103 -20.568 8.780 5.003 1.00 0.00 C ATOM 1629 OE1 GLU A 103 -21.539 9.483 5.350 1.00 0.00 O ATOM 1630 OE2 GLU A 103 -19.915 8.992 3.962 1.00 0.00 O ATOM 0 H GLU A 103 -17.128 8.116 8.452 1.00 0.00 H new ATOM 0 HA GLU A 103 -19.432 6.370 8.166 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -19.172 8.827 7.339 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -18.117 8.185 6.096 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -19.947 6.756 5.257 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -21.005 7.348 6.522 1.00 0.00 H new ATOM 1637 N ASN A 104 -16.649 5.792 6.546 1.00 0.00 N ATOM 1638 CA ASN A 104 -15.986 4.800 5.706 1.00 0.00 C ATOM 1639 C ASN A 104 -15.508 3.617 6.525 1.00 0.00 C ATOM 1640 O ASN A 104 -15.553 2.472 6.071 1.00 0.00 O ATOM 1641 CB ASN A 104 -14.813 5.435 4.963 1.00 0.00 C ATOM 1642 CG ASN A 104 -14.084 4.446 4.076 1.00 0.00 C ATOM 1643 OD1 ASN A 104 -12.769 4.407 4.203 1.00 0.00 O flip ATOM 1644 ND2 ASN A 104 -14.692 3.732 3.280 1.00 0.00 N flip ATOM 0 H ASN A 104 -16.049 6.552 6.865 1.00 0.00 H new ATOM 0 HA ASN A 104 -16.712 4.436 4.980 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -15.178 6.263 4.355 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -14.113 5.854 5.686 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -15.708 3.793 3.213 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -14.180 3.079 2.687 1.00 0.00 H new ATOM 1651 N ILE A 105 -15.067 3.888 7.741 1.00 0.00 N ATOM 1652 CA ILE A 105 -14.594 2.838 8.624 1.00 0.00 C ATOM 1653 C ILE A 105 -15.744 1.930 8.992 1.00 0.00 C ATOM 1654 O ILE A 105 -15.560 0.736 9.216 1.00 0.00 O ATOM 1655 CB ILE A 105 -14.005 3.405 9.898 1.00 0.00 C ATOM 1656 CG1 ILE A 105 -12.906 4.392 9.560 1.00 0.00 C ATOM 1657 CG2 ILE A 105 -13.478 2.299 10.797 1.00 0.00 C ATOM 1658 CD1 ILE A 105 -12.350 5.072 10.772 1.00 0.00 C ATOM 0 H ILE A 105 -15.027 4.826 8.139 1.00 0.00 H new ATOM 0 HA ILE A 105 -13.818 2.285 8.094 1.00 0.00 H new ATOM 0 HB ILE A 105 -14.792 3.925 10.443 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -12.102 3.871 9.040 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -13.296 5.143 8.873 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -13.061 2.736 11.704 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -14.293 1.625 11.060 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -12.702 1.742 10.272 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -11.567 5.768 10.472 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -13.145 5.618 11.280 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -11.933 4.326 11.449 1.00 0.00 H new ATOM 1670 N ALA A 106 -16.936 2.523 9.043 1.00 0.00 N ATOM 1671 CA ALA A 106 -18.145 1.791 9.365 1.00 0.00 C ATOM 1672 C ALA A 106 -18.278 0.584 8.452 1.00 0.00 C ATOM 1673 O ALA A 106 -18.803 -0.457 8.853 1.00 0.00 O ATOM 1674 CB ALA A 106 -19.368 2.689 9.259 1.00 0.00 C ATOM 0 H ALA A 106 -17.083 3.516 8.863 1.00 0.00 H new ATOM 0 HA ALA A 106 -18.079 1.443 10.396 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -20.262 2.116 9.505 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -19.268 3.523 9.954 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -19.451 3.072 8.242 1.00 0.00 H new ATOM 1680 N MET A 107 -17.777 0.716 7.223 1.00 0.00 N ATOM 1681 CA MET A 107 -17.819 -0.391 6.288 1.00 0.00 C ATOM 1682 C MET A 107 -16.813 -1.423 6.743 1.00 0.00 C ATOM 1683 O MET A 107 -17.169 -2.564 6.935 1.00 0.00 O ATOM 1684 CB MET A 107 -17.496 0.026 4.852 1.00 0.00 C ATOM 1685 CG MET A 107 -18.244 -0.787 3.807 1.00 0.00 C ATOM 1686 SD MET A 107 -17.588 -0.560 2.143 1.00 0.00 S ATOM 1687 CE MET A 107 -17.718 1.219 1.970 1.00 0.00 C ATOM 0 H MET A 107 -17.345 1.567 6.863 1.00 0.00 H new ATOM 0 HA MET A 107 -18.834 -0.787 6.280 1.00 0.00 H new ATOM 0 HB2 MET A 107 -17.739 1.081 4.724 1.00 0.00 H new ATOM 0 HB3 MET A 107 -16.424 -0.077 4.683 1.00 0.00 H new ATOM 0 HG2 MET A 107 -18.194 -1.843 4.071 1.00 0.00 H new ATOM 0 HG3 MET A 107 -19.297 -0.505 3.819 1.00 0.00 H new ATOM 0 HE1 MET A 107 -17.555 1.496 0.929 1.00 0.00 H new ATOM 0 HE2 MET A 107 -18.711 1.543 2.280 1.00 0.00 H new ATOM 0 HE3 MET A 107 -16.967 1.701 2.596 1.00 0.00 H new ATOM 1697 N LYS A 108 -15.564 -0.986 6.973 1.00 0.00 N ATOM 1698 CA LYS A 108 -14.474 -1.869 7.404 1.00 0.00 C ATOM 1699 C LYS A 108 -14.885 -2.684 8.621 1.00 0.00 C ATOM 1700 O LYS A 108 -14.511 -3.843 8.767 1.00 0.00 O ATOM 1701 CB LYS A 108 -13.224 -1.040 7.729 1.00 0.00 C ATOM 1702 CG LYS A 108 -12.033 -1.879 8.165 1.00 0.00 C ATOM 1703 CD LYS A 108 -10.786 -1.030 8.369 1.00 0.00 C ATOM 1704 CE LYS A 108 -10.640 -0.545 9.805 1.00 0.00 C ATOM 1705 NZ LYS A 108 -10.269 -1.643 10.739 1.00 0.00 N ATOM 0 H LYS A 108 -15.284 -0.011 6.865 1.00 0.00 H new ATOM 0 HA LYS A 108 -14.249 -2.557 6.589 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -12.946 -0.458 6.850 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -13.465 -0.329 8.519 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -12.275 -2.398 9.092 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -11.833 -2.644 7.414 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -9.906 -1.611 8.094 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -10.822 -0.170 7.700 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -9.881 0.236 9.847 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -11.578 -0.095 10.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -11.099 -1.914 11.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -9.938 -2.465 10.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -9.510 -1.319 11.372 1.00 0.00 H new ATOM 1719 N LYS A 109 -15.649 -2.055 9.492 1.00 0.00 N ATOM 1720 CA LYS A 109 -16.149 -2.708 10.699 1.00 0.00 C ATOM 1721 C LYS A 109 -17.064 -3.870 10.342 1.00 0.00 C ATOM 1722 O LYS A 109 -16.850 -4.997 10.787 1.00 0.00 O ATOM 1723 CB LYS A 109 -16.896 -1.707 11.582 1.00 0.00 C ATOM 1724 CG LYS A 109 -16.042 -0.529 12.011 1.00 0.00 C ATOM 1725 CD LYS A 109 -14.884 -0.985 12.879 1.00 0.00 C ATOM 1726 CE LYS A 109 -15.313 -1.132 14.325 1.00 0.00 C ATOM 1727 NZ LYS A 109 -14.331 -1.919 15.112 1.00 0.00 N ATOM 0 H LYS A 109 -15.943 -1.083 9.390 1.00 0.00 H new ATOM 0 HA LYS A 109 -15.293 -3.095 11.253 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -17.768 -1.337 11.042 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -17.265 -2.221 12.469 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -15.660 -0.012 11.131 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -16.653 0.187 12.560 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -14.502 -1.937 12.511 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -14.068 -0.266 12.810 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -15.430 -0.145 14.772 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -16.287 -1.619 14.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -14.658 -1.998 16.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -14.238 -2.870 14.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -13.407 -1.441 15.092 1.00 0.00 H new ATOM 1741 N ARG A 110 -18.080 -3.588 9.540 1.00 0.00 N ATOM 1742 CA ARG A 110 -19.011 -4.617 9.092 1.00 0.00 C ATOM 1743 C ARG A 110 -18.284 -5.570 8.158 1.00 0.00 C ATOM 1744 O ARG A 110 -18.560 -6.756 8.111 1.00 0.00 O ATOM 1745 CB ARG A 110 -20.186 -3.965 8.359 1.00 0.00 C ATOM 1746 CG ARG A 110 -21.315 -4.920 8.000 1.00 0.00 C ATOM 1747 CD ARG A 110 -22.424 -4.206 7.239 1.00 0.00 C ATOM 1748 NE ARG A 110 -22.741 -4.878 5.976 1.00 0.00 N ATOM 1749 CZ ARG A 110 -23.799 -4.598 5.210 1.00 0.00 C ATOM 1750 NH1 ARG A 110 -24.690 -3.688 5.590 1.00 0.00 N ATOM 1751 NH2 ARG A 110 -23.974 -5.248 4.067 1.00 0.00 N ATOM 0 H ARG A 110 -18.282 -2.654 9.185 1.00 0.00 H new ATOM 0 HA ARG A 110 -19.393 -5.168 9.951 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -20.588 -3.166 8.982 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -19.815 -3.501 7.445 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -20.924 -5.737 7.394 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -21.722 -5.363 8.909 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -23.319 -4.160 7.860 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -22.122 -3.178 7.037 1.00 0.00 H new ATOM 0 HE ARG A 110 -22.108 -5.612 5.659 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -24.570 -3.195 6.475 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -25.494 -3.483 4.997 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -23.302 -5.958 3.776 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -24.780 -5.038 3.479 1.00 0.00 H new ATOM 1765 N LEU A 111 -17.332 -5.014 7.446 1.00 0.00 N ATOM 1766 CA LEU A 111 -16.519 -5.730 6.488 1.00 0.00 C ATOM 1767 C LEU A 111 -15.654 -6.773 7.139 1.00 0.00 C ATOM 1768 O LEU A 111 -15.568 -7.887 6.654 1.00 0.00 O ATOM 1769 CB LEU A 111 -15.646 -4.735 5.747 1.00 0.00 C ATOM 1770 CG LEU A 111 -16.279 -4.199 4.490 1.00 0.00 C ATOM 1771 CD1 LEU A 111 -15.574 -2.941 4.022 1.00 0.00 C ATOM 1772 CD2 LEU A 111 -16.303 -5.211 3.380 1.00 0.00 C ATOM 0 H LEU A 111 -17.094 -4.025 7.518 1.00 0.00 H new ATOM 0 HA LEU A 111 -17.187 -6.248 5.800 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -15.414 -3.902 6.411 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -14.700 -5.213 5.493 1.00 0.00 H new ATOM 0 HG LEU A 111 -17.312 -3.962 4.743 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -16.050 -2.574 3.113 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -15.637 -2.178 4.798 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -14.527 -3.165 3.818 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -16.770 -4.773 2.498 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -15.283 -5.512 3.140 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -16.874 -6.084 3.696 1.00 0.00 H new ATOM 1784 N ALA A 112 -15.028 -6.438 8.244 1.00 0.00 N ATOM 1785 CA ALA A 112 -14.171 -7.396 8.895 1.00 0.00 C ATOM 1786 C ALA A 112 -14.996 -8.456 9.591 1.00 0.00 C ATOM 1787 O ALA A 112 -14.469 -9.457 10.053 1.00 0.00 O ATOM 1788 CB ALA A 112 -13.216 -6.712 9.857 1.00 0.00 C ATOM 0 H ALA A 112 -15.094 -5.529 8.702 1.00 0.00 H new ATOM 0 HA ALA A 112 -13.565 -7.888 8.134 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -12.582 -7.460 10.333 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -12.594 -6.004 9.310 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -13.786 -6.181 10.619 1.00 0.00 H new ATOM 1794 N ASN A 113 -16.291 -8.211 9.688 1.00 0.00 N ATOM 1795 CA ASN A 113 -17.193 -9.166 10.292 1.00 0.00 C ATOM 1796 C ASN A 113 -17.926 -9.966 9.211 1.00 0.00 C ATOM 1797 O ASN A 113 -18.274 -11.125 9.413 1.00 0.00 O ATOM 1798 CB ASN A 113 -18.179 -8.458 11.220 1.00 0.00 C ATOM 1799 CG ASN A 113 -17.848 -8.682 12.682 1.00 0.00 C ATOM 1800 OD1 ASN A 113 -17.342 -9.739 13.066 1.00 0.00 O ATOM 1801 ND2 ASN A 113 -18.124 -7.687 13.511 1.00 0.00 N ATOM 0 H ASN A 113 -16.738 -7.357 9.355 1.00 0.00 H new ATOM 0 HA ASN A 113 -16.611 -9.866 10.892 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -18.173 -7.389 11.007 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -19.188 -8.817 11.018 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -17.918 -7.780 14.506 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -18.543 -6.828 13.155 1.00 0.00 H new