USER MOD reduce.3.24.130724 H: found=0, std=0, add=842, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 844 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 87 MET CE :methyl 161:sc= -0.0804 (180deg=-0.37) USER MOD Set 1.2: A 113 CYS SG : rot -55:sc= 0.933 USER MOD Set 2.1: A 50 ASN : amide:sc= -1.53 K(o=-0.37,f=-10!) USER MOD Set 2.2: A 52 THR OG1 : rot 67:sc= 1.16 USER MOD Set 3.1: A 46 THR OG1 : rot 140:sc= 0.0684 USER MOD Set 3.2: A 55 GLN : amide:sc= 0.265 K(o=0.57,f=-0.18) USER MOD Set 3.3: A 96 TYR OH : rot -134:sc= 0.234 USER MOD Set 4.1: A 16 ASN : amide:sc= -2.77! C(o=-4.1!,f=-11!) USER MOD Set 4.2: A 94 TYR OH : rot 129:sc= -1.37! USER MOD Single : A 21 LYS NZ :NH3+ 163:sc= -0.0319 (180deg=-0.29) USER MOD Single : A 22 LYS NZ :NH3+ 147:sc= -0.657 (180deg=-1.64!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= -0.827 USER MOD Single : A 32 SER OG : rot 35:sc= 0.604 USER MOD Single : A 36 LYS NZ :NH3+ 140:sc= -0.62 (180deg=-2.35!) USER MOD Single : A 38 GLN : amide:sc= -5.33! C(o=-5.3!,f=-8.3!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 HIS :FLIP no HD1:sc= -1.31 F(o=-2,f=-1.3) USER MOD Single : A 45 GLN :FLIP amide:sc= -0.121 F(o=-0.72,f=-0.12) USER MOD Single : A 47 SER OG : rot 180:sc= -0.961 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 CYS SG : rot 180:sc= -0.305 USER MOD Single : A 71 GLN :FLIP amide:sc= -0.0201 F(o=-0.79,f=-0.02) USER MOD Single : A 76 SER OG : rot -29:sc= 0.437 USER MOD Single : A 80 MET CE :methyl -143:sc= -1.37 (180deg=-2.22) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 42:sc= 0.433 USER MOD Single : A 92 SER OG : rot -84:sc= -0.117 USER MOD Single : A 93 LYS NZ :NH3+ -109:sc= -0.0222 (180deg=-0.798) USER MOD Single : A 95 CYS SG : rot 67:sc= -0.364 USER MOD Single : A 99 GLN : amide:sc= -0.082 K(o=-0.082,f=-0.88) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 HIS :FLIP no HE2:sc= -0.187 F(o=-0.86,f=-0.19) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ -125:sc= -0.105 (180deg=-2.64!) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 120 N LEU A 11 -6.658 -11.504 3.381 1.00 0.00 N ATOM 121 CA LEU A 11 -7.589 -11.461 2.259 1.00 0.00 C ATOM 122 C LEU A 11 -6.843 -11.507 0.930 1.00 0.00 C ATOM 123 O LEU A 11 -5.934 -10.713 0.688 1.00 0.00 O ATOM 124 CB LEU A 11 -8.447 -10.196 2.331 1.00 0.00 C ATOM 125 CG LEU A 11 -9.215 -9.833 1.060 1.00 0.00 C ATOM 126 CD1 LEU A 11 -10.510 -9.115 1.405 1.00 0.00 C ATOM 127 CD2 LEU A 11 -8.355 -8.974 0.145 1.00 0.00 C ATOM 0 HA LEU A 11 -8.236 -12.336 2.322 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -9.164 -10.313 3.144 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.802 -9.358 2.593 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.464 -10.754 0.533 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -11.043 -8.865 0.488 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -11.133 -9.764 2.021 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -10.284 -8.201 1.954 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.917 -8.725 -0.755 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -8.075 -8.057 0.664 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.455 -9.524 -0.130 1.00 0.00 H new ATOM 139 N ASP A 12 -7.233 -12.442 0.071 1.00 0.00 N ATOM 140 CA ASP A 12 -6.604 -12.590 -1.236 1.00 0.00 C ATOM 141 C ASP A 12 -7.190 -11.600 -2.238 1.00 0.00 C ATOM 142 O ASP A 12 -8.294 -11.796 -2.745 1.00 0.00 O ATOM 143 CB ASP A 12 -6.779 -14.020 -1.752 1.00 0.00 C ATOM 144 CG ASP A 12 -5.937 -15.020 -0.984 1.00 0.00 C ATOM 145 OD1 ASP A 12 -4.796 -14.674 -0.612 1.00 0.00 O ATOM 146 OD2 ASP A 12 -6.420 -16.148 -0.754 1.00 0.00 O ATOM 0 H ASP A 12 -7.982 -13.109 0.256 1.00 0.00 H new ATOM 0 HA ASP A 12 -5.540 -12.379 -1.124 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -7.829 -14.303 -1.680 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.510 -14.058 -2.808 1.00 0.00 H new ATOM 151 N ILE A 13 -6.443 -10.537 -2.516 1.00 0.00 N ATOM 152 CA ILE A 13 -6.889 -9.516 -3.457 1.00 0.00 C ATOM 153 C ILE A 13 -6.933 -10.062 -4.880 1.00 0.00 C ATOM 154 O ILE A 13 -7.831 -9.731 -5.655 1.00 0.00 O ATOM 155 CB ILE A 13 -5.972 -8.279 -3.421 1.00 0.00 C ATOM 156 CG1 ILE A 13 -6.070 -7.583 -2.062 1.00 0.00 C ATOM 157 CG2 ILE A 13 -6.337 -7.317 -4.542 1.00 0.00 C ATOM 158 CD1 ILE A 13 -5.066 -6.467 -1.881 1.00 0.00 C ATOM 0 H ILE A 13 -5.527 -10.360 -2.104 1.00 0.00 H new ATOM 0 HA ILE A 13 -7.893 -9.222 -3.152 1.00 0.00 H new ATOM 0 HB ILE A 13 -4.942 -8.604 -3.568 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -7.075 -7.179 -1.941 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -5.926 -8.322 -1.273 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.680 -6.448 -4.504 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -6.221 -7.818 -5.503 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -7.372 -6.996 -4.423 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -5.194 -6.019 -0.895 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.056 -6.868 -1.969 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.223 -5.708 -2.648 1.00 0.00 H new ATOM 170 N LEU A 14 -5.960 -10.900 -5.217 1.00 0.00 N ATOM 171 CA LEU A 14 -5.888 -11.494 -6.547 1.00 0.00 C ATOM 172 C LEU A 14 -6.438 -12.917 -6.538 1.00 0.00 C ATOM 173 O LEU A 14 -6.975 -13.392 -7.538 1.00 0.00 O ATOM 174 CB LEU A 14 -4.442 -11.497 -7.048 1.00 0.00 C ATOM 175 CG LEU A 14 -3.769 -10.129 -7.162 1.00 0.00 C ATOM 176 CD1 LEU A 14 -2.371 -10.269 -7.746 1.00 0.00 C ATOM 177 CD2 LEU A 14 -4.611 -9.188 -8.010 1.00 0.00 C ATOM 0 H LEU A 14 -5.209 -11.184 -4.587 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.498 -10.892 -7.221 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.847 -12.117 -6.377 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.419 -11.974 -8.028 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.683 -9.704 -6.162 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.907 -9.285 -7.820 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.769 -10.907 -7.099 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.434 -10.716 -8.738 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.116 -8.219 -8.080 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.730 -9.607 -9.009 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.591 -9.062 -7.550 1.00 0.00 H new ATOM 189 N GLY A 15 -6.301 -13.592 -5.401 1.00 0.00 N ATOM 190 CA GLY A 15 -6.791 -14.953 -5.283 1.00 0.00 C ATOM 191 C GLY A 15 -5.673 -15.976 -5.306 1.00 0.00 C ATOM 192 O GLY A 15 -5.783 -17.039 -4.698 1.00 0.00 O ATOM 0 H GLY A 15 -5.860 -13.221 -4.560 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -7.353 -15.054 -4.354 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.484 -15.158 -6.099 1.00 0.00 H new ATOM 196 N ASN A 16 -4.594 -15.654 -6.012 1.00 0.00 N ATOM 197 CA ASN A 16 -3.451 -16.555 -6.114 1.00 0.00 C ATOM 198 C ASN A 16 -2.885 -16.875 -4.734 1.00 0.00 C ATOM 199 O ASN A 16 -2.708 -18.040 -4.379 1.00 0.00 O ATOM 200 CB ASN A 16 -2.363 -15.934 -6.992 1.00 0.00 C ATOM 201 CG ASN A 16 -2.099 -14.481 -6.645 1.00 0.00 C ATOM 202 OD1 ASN A 16 -2.760 -13.908 -5.779 1.00 0.00 O ATOM 203 ND2 ASN A 16 -1.128 -13.879 -7.321 1.00 0.00 N ATOM 0 H ASN A 16 -4.487 -14.777 -6.522 1.00 0.00 H new ATOM 0 HA ASN A 16 -3.792 -17.484 -6.571 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -1.441 -16.504 -6.881 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -2.659 -16.007 -8.039 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -0.904 -12.902 -7.131 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -0.606 -14.393 -8.030 1.00 0.00 H new ATOM 210 N GLY A 17 -2.605 -15.832 -3.959 1.00 0.00 N ATOM 211 CA GLY A 17 -2.063 -16.022 -2.626 1.00 0.00 C ATOM 212 C GLY A 17 -0.898 -15.096 -2.336 1.00 0.00 C ATOM 213 O GLY A 17 -0.515 -14.911 -1.180 1.00 0.00 O ATOM 0 H GLY A 17 -2.744 -14.859 -4.230 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.849 -15.853 -1.890 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.738 -17.056 -2.513 1.00 0.00 H new ATOM 217 N LEU A 18 -0.332 -14.514 -3.387 1.00 0.00 N ATOM 218 CA LEU A 18 0.798 -13.603 -3.240 1.00 0.00 C ATOM 219 C LEU A 18 0.366 -12.304 -2.566 1.00 0.00 C ATOM 220 O LEU A 18 0.750 -12.023 -1.430 1.00 0.00 O ATOM 221 CB LEU A 18 1.417 -13.301 -4.606 1.00 0.00 C ATOM 222 CG LEU A 18 2.394 -14.346 -5.146 1.00 0.00 C ATOM 223 CD1 LEU A 18 3.370 -14.775 -4.061 1.00 0.00 C ATOM 224 CD2 LEU A 18 1.639 -15.549 -5.692 1.00 0.00 C ATOM 0 H LEU A 18 -0.637 -14.656 -4.350 1.00 0.00 H new ATOM 0 HA LEU A 18 1.544 -14.087 -2.610 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.611 -13.179 -5.329 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.937 -12.345 -4.544 1.00 0.00 H new ATOM 0 HG LEU A 18 2.962 -13.898 -5.961 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.058 -15.519 -4.463 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.934 -13.909 -3.716 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.819 -15.205 -3.225 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.350 -16.283 -6.072 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.045 -15.998 -4.896 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.981 -15.229 -6.500 1.00 0.00 H new ATOM 236 N LEU A 19 -0.436 -11.516 -3.273 1.00 0.00 N ATOM 237 CA LEU A 19 -0.923 -10.247 -2.743 1.00 0.00 C ATOM 238 C LEU A 19 -2.054 -10.472 -1.744 1.00 0.00 C ATOM 239 O LEU A 19 -3.100 -11.021 -2.089 1.00 0.00 O ATOM 240 CB LEU A 19 -1.406 -9.347 -3.883 1.00 0.00 C ATOM 241 CG LEU A 19 -2.060 -8.030 -3.467 1.00 0.00 C ATOM 242 CD1 LEU A 19 -1.022 -7.076 -2.895 1.00 0.00 C ATOM 243 CD2 LEU A 19 -2.778 -7.394 -4.648 1.00 0.00 C ATOM 0 H LEU A 19 -0.763 -11.733 -4.214 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.098 -9.757 -2.226 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.555 -9.120 -4.525 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.119 -9.909 -4.486 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.796 -8.241 -2.691 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.506 -6.144 -2.604 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.553 -7.529 -2.022 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.262 -6.871 -3.649 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.238 -6.457 -4.333 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.062 -7.197 -5.446 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.550 -8.072 -5.013 1.00 0.00 H new ATOM 255 N ARG A 20 -1.836 -10.043 -0.506 1.00 0.00 N ATOM 256 CA ARG A 20 -2.836 -10.196 0.543 1.00 0.00 C ATOM 257 C ARG A 20 -3.157 -8.852 1.190 1.00 0.00 C ATOM 258 O ARG A 20 -2.403 -7.888 1.052 1.00 0.00 O ATOM 259 CB ARG A 20 -2.345 -11.181 1.606 1.00 0.00 C ATOM 260 CG ARG A 20 -2.100 -12.582 1.071 1.00 0.00 C ATOM 261 CD ARG A 20 -1.070 -13.326 1.908 1.00 0.00 C ATOM 262 NE ARG A 20 -1.627 -13.787 3.177 1.00 0.00 N ATOM 263 CZ ARG A 20 -1.019 -14.662 3.971 1.00 0.00 C ATOM 264 NH1 ARG A 20 0.158 -15.167 3.628 1.00 0.00 N ATOM 265 NH2 ARG A 20 -1.589 -15.034 5.110 1.00 0.00 N ATOM 0 H ARG A 20 -0.975 -9.586 -0.205 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.746 -10.587 0.087 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.421 -10.801 2.042 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.080 -11.231 2.410 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.037 -13.139 1.065 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.757 -12.523 0.038 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.694 -14.180 1.345 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -0.219 -12.672 2.101 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.532 -13.417 3.470 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.599 -14.884 2.753 1.00 0.00 H new ATOM 0 HH12 ARG A 20 0.623 -15.838 4.239 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -2.495 -14.648 5.377 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -1.121 -15.706 5.719 1.00 0.00 H new ATOM 279 N LYS A 21 -4.282 -8.794 1.895 1.00 0.00 N ATOM 280 CA LYS A 21 -4.704 -7.569 2.564 1.00 0.00 C ATOM 281 C LYS A 21 -5.122 -7.851 4.004 1.00 0.00 C ATOM 282 O LYS A 21 -5.886 -8.780 4.268 1.00 0.00 O ATOM 283 CB LYS A 21 -5.862 -6.921 1.803 1.00 0.00 C ATOM 284 CG LYS A 21 -5.901 -5.408 1.927 1.00 0.00 C ATOM 285 CD LYS A 21 -6.972 -4.802 1.036 1.00 0.00 C ATOM 286 CE LYS A 21 -8.367 -5.063 1.585 1.00 0.00 C ATOM 287 NZ LYS A 21 -8.611 -4.322 2.854 1.00 0.00 N ATOM 0 H LYS A 21 -4.918 -9.582 2.018 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.857 -6.883 2.578 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.788 -7.189 0.749 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.802 -7.332 2.171 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.091 -5.132 2.964 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.928 -4.995 1.660 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.809 -3.728 0.949 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.891 -5.219 0.032 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.110 -4.769 0.844 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.495 -6.132 1.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.633 -4.287 3.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.129 -4.807 3.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.241 -3.354 2.767 1.00 0.00 H new ATOM 301 N LYS A 22 -4.618 -7.044 4.931 1.00 0.00 N ATOM 302 CA LYS A 22 -4.941 -7.204 6.343 1.00 0.00 C ATOM 303 C LYS A 22 -5.294 -5.862 6.977 1.00 0.00 C ATOM 304 O LYS A 22 -4.434 -4.995 7.139 1.00 0.00 O ATOM 305 CB LYS A 22 -3.765 -7.839 7.088 1.00 0.00 C ATOM 306 CG LYS A 22 -4.069 -8.165 8.540 1.00 0.00 C ATOM 307 CD LYS A 22 -2.801 -8.474 9.319 1.00 0.00 C ATOM 308 CE LYS A 22 -2.203 -7.217 9.932 1.00 0.00 C ATOM 309 NZ LYS A 22 -2.802 -6.908 11.259 1.00 0.00 N ATOM 0 H LYS A 22 -3.983 -6.271 4.729 1.00 0.00 H new ATOM 0 HA LYS A 22 -5.808 -7.860 6.419 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -3.471 -8.754 6.573 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.912 -7.162 7.047 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.585 -7.324 9.002 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -4.744 -9.019 8.588 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.023 -9.194 10.107 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.071 -8.940 8.657 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.126 -7.343 10.040 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -2.359 -6.375 9.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -2.085 -6.467 11.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.601 -6.254 11.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.140 -7.787 11.701 1.00 0.00 H new ATOM 323 N THR A 23 -6.563 -5.696 7.335 1.00 0.00 N ATOM 324 CA THR A 23 -7.028 -4.460 7.951 1.00 0.00 C ATOM 325 C THR A 23 -6.363 -4.236 9.304 1.00 0.00 C ATOM 326 O THR A 23 -6.667 -4.925 10.279 1.00 0.00 O ATOM 327 CB THR A 23 -8.557 -4.467 8.139 1.00 0.00 C ATOM 328 OG1 THR A 23 -9.204 -4.705 6.883 1.00 0.00 O ATOM 329 CG2 THR A 23 -9.037 -3.146 8.720 1.00 0.00 C ATOM 0 H THR A 23 -7.288 -6.403 7.209 1.00 0.00 H new ATOM 0 HA THR A 23 -6.755 -3.649 7.276 1.00 0.00 H new ATOM 0 HB THR A 23 -8.812 -5.266 8.836 1.00 0.00 H new ATOM 0 HG1 THR A 23 -10.176 -4.710 7.011 1.00 0.00 H new ATOM 0 HG21 THR A 23 -10.120 -3.175 8.844 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.565 -2.982 9.689 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.771 -2.333 8.044 1.00 0.00 H new ATOM 337 N LEU A 24 -5.455 -3.268 9.358 1.00 0.00 N ATOM 338 CA LEU A 24 -4.746 -2.952 10.593 1.00 0.00 C ATOM 339 C LEU A 24 -5.602 -2.079 11.504 1.00 0.00 C ATOM 340 O LEU A 24 -5.528 -2.180 12.729 1.00 0.00 O ATOM 341 CB LEU A 24 -3.427 -2.242 10.280 1.00 0.00 C ATOM 342 CG LEU A 24 -2.463 -2.993 9.361 1.00 0.00 C ATOM 343 CD1 LEU A 24 -1.653 -2.015 8.524 1.00 0.00 C ATOM 344 CD2 LEU A 24 -1.542 -3.891 10.174 1.00 0.00 C ATOM 0 H LEU A 24 -5.192 -2.688 8.561 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.534 -3.888 11.111 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.655 -1.278 9.825 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.916 -2.037 11.220 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.047 -3.620 8.687 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.972 -2.567 7.876 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.327 -1.413 7.914 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.079 -1.362 9.181 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.863 -4.418 9.504 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.965 -3.284 10.872 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.138 -4.615 10.730 1.00 0.00 H new ATOM 356 N VAL A 25 -6.418 -1.222 10.898 1.00 0.00 N ATOM 357 CA VAL A 25 -7.292 -0.333 11.654 1.00 0.00 C ATOM 358 C VAL A 25 -8.463 0.143 10.802 1.00 0.00 C ATOM 359 O VAL A 25 -8.311 0.965 9.898 1.00 0.00 O ATOM 360 CB VAL A 25 -6.524 0.893 12.183 1.00 0.00 C ATOM 361 CG1 VAL A 25 -7.470 1.852 12.889 1.00 0.00 C ATOM 362 CG2 VAL A 25 -5.401 0.458 13.112 1.00 0.00 C ATOM 0 H VAL A 25 -6.492 -1.125 9.885 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.672 -0.907 12.499 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.081 1.416 11.335 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.909 2.712 13.256 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.235 2.189 12.190 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.944 1.343 13.728 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.869 1.337 13.476 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.819 -0.089 13.957 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.709 -0.186 12.569 1.00 0.00 H new ATOM 372 N PRO A 26 -9.661 -0.384 11.094 1.00 0.00 N ATOM 373 CA PRO A 26 -10.882 -0.027 10.366 1.00 0.00 C ATOM 374 C PRO A 26 -11.331 1.402 10.654 1.00 0.00 C ATOM 375 O PRO A 26 -11.126 1.918 11.751 1.00 0.00 O ATOM 376 CB PRO A 26 -11.914 -1.028 10.891 1.00 0.00 C ATOM 377 CG PRO A 26 -11.416 -1.411 12.242 1.00 0.00 C ATOM 378 CD PRO A 26 -9.916 -1.370 12.158 1.00 0.00 C ATOM 0 HA PRO A 26 -10.740 -0.068 9.286 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.907 -0.581 10.947 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -11.992 -1.896 10.237 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -11.783 -0.722 13.003 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -11.764 -2.406 12.518 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -9.469 -1.065 13.104 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -9.501 -2.346 11.909 1.00 0.00 H new ATOM 386 N GLY A 27 -11.947 2.035 9.660 1.00 0.00 N ATOM 387 CA GLY A 27 -12.416 3.399 9.827 1.00 0.00 C ATOM 388 C GLY A 27 -13.838 3.463 10.347 1.00 0.00 C ATOM 389 O GLY A 27 -14.492 2.441 10.556 1.00 0.00 O ATOM 0 H GLY A 27 -12.130 1.628 8.743 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -11.756 3.925 10.517 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -12.358 3.920 8.871 1.00 0.00 H new ATOM 393 N PRO A 28 -14.337 4.688 10.567 1.00 0.00 N ATOM 394 CA PRO A 28 -15.696 4.911 11.071 1.00 0.00 C ATOM 395 C PRO A 28 -16.761 4.555 10.040 1.00 0.00 C ATOM 396 O PRO A 28 -16.475 4.356 8.859 1.00 0.00 O ATOM 397 CB PRO A 28 -15.721 6.412 11.370 1.00 0.00 C ATOM 398 CG PRO A 28 -14.687 6.995 10.470 1.00 0.00 C ATOM 399 CD PRO A 28 -13.614 5.950 10.341 1.00 0.00 C ATOM 0 HA PRO A 28 -15.918 4.287 11.936 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -16.704 6.839 11.172 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -15.492 6.611 12.417 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -15.111 7.241 9.497 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -14.284 7.919 10.885 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -13.146 5.974 9.357 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -12.821 6.096 11.075 1.00 0.00 H new ATOM 407 N PRO A 29 -18.021 4.472 10.494 1.00 0.00 N ATOM 408 CA PRO A 29 -19.155 4.141 9.626 1.00 0.00 C ATOM 409 C PRO A 29 -19.479 5.260 8.643 1.00 0.00 C ATOM 410 O PRO A 29 -20.287 5.085 7.732 1.00 0.00 O ATOM 411 CB PRO A 29 -20.310 3.944 10.612 1.00 0.00 C ATOM 412 CG PRO A 29 -19.935 4.757 11.802 1.00 0.00 C ATOM 413 CD PRO A 29 -18.435 4.697 11.889 1.00 0.00 C ATOM 0 HA PRO A 29 -18.952 3.268 9.005 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -21.256 4.279 10.186 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -20.433 2.893 10.873 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -20.279 5.786 11.696 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -20.395 4.359 12.707 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -18.018 5.622 12.288 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -18.102 3.890 12.542 1.00 0.00 H new ATOM 421 N GLY A 30 -18.842 6.412 8.833 1.00 0.00 N ATOM 422 CA GLY A 30 -19.076 7.543 7.954 1.00 0.00 C ATOM 423 C GLY A 30 -18.265 7.462 6.676 1.00 0.00 C ATOM 424 O GLY A 30 -18.820 7.477 5.578 1.00 0.00 O ATOM 0 H GLY A 30 -18.168 6.582 9.580 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -20.136 7.593 7.705 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -18.828 8.465 8.480 1.00 0.00 H new ATOM 428 N SER A 31 -16.946 7.378 6.819 1.00 0.00 N ATOM 429 CA SER A 31 -16.056 7.300 5.666 1.00 0.00 C ATOM 430 C SER A 31 -16.485 6.180 4.723 1.00 0.00 C ATOM 431 O SER A 31 -17.358 5.377 5.052 1.00 0.00 O ATOM 432 CB SER A 31 -14.614 7.073 6.123 1.00 0.00 C ATOM 433 OG SER A 31 -14.392 7.629 7.408 1.00 0.00 O ATOM 0 H SER A 31 -16.470 7.362 7.721 1.00 0.00 H new ATOM 0 HA SER A 31 -16.115 8.246 5.128 1.00 0.00 H new ATOM 0 HB2 SER A 31 -14.400 6.004 6.144 1.00 0.00 H new ATOM 0 HB3 SER A 31 -13.927 7.522 5.406 1.00 0.00 H new ATOM 0 HG SER A 31 -13.464 7.469 7.678 1.00 0.00 H new ATOM 439 N SER A 32 -15.864 6.134 3.549 1.00 0.00 N ATOM 440 CA SER A 32 -16.184 5.115 2.555 1.00 0.00 C ATOM 441 C SER A 32 -15.050 4.968 1.545 1.00 0.00 C ATOM 442 O SER A 32 -14.163 5.818 1.462 1.00 0.00 O ATOM 443 CB SER A 32 -17.484 5.468 1.832 1.00 0.00 C ATOM 444 OG SER A 32 -18.606 4.923 2.504 1.00 0.00 O ATOM 0 H SER A 32 -15.137 6.790 3.262 1.00 0.00 H new ATOM 0 HA SER A 32 -16.312 4.164 3.073 1.00 0.00 H new ATOM 0 HB2 SER A 32 -17.585 6.551 1.768 1.00 0.00 H new ATOM 0 HB3 SER A 32 -17.449 5.090 0.810 1.00 0.00 H new ATOM 0 HG SER A 32 -18.445 4.933 3.471 1.00 0.00 H new ATOM 450 N ARG A 33 -15.087 3.883 0.778 1.00 0.00 N ATOM 451 CA ARG A 33 -14.063 3.623 -0.227 1.00 0.00 C ATOM 452 C ARG A 33 -14.048 4.722 -1.286 1.00 0.00 C ATOM 453 O ARG A 33 -15.090 5.197 -1.737 1.00 0.00 O ATOM 454 CB ARG A 33 -14.302 2.265 -0.889 1.00 0.00 C ATOM 455 CG ARG A 33 -14.204 1.092 0.073 1.00 0.00 C ATOM 456 CD ARG A 33 -13.707 -0.163 -0.627 1.00 0.00 C ATOM 457 NE ARG A 33 -14.805 -0.957 -1.173 1.00 0.00 N ATOM 458 CZ ARG A 33 -14.720 -2.261 -1.412 1.00 0.00 C ATOM 459 NH1 ARG A 33 -13.595 -2.914 -1.154 1.00 0.00 N ATOM 460 NH2 ARG A 33 -15.763 -2.915 -1.909 1.00 0.00 N ATOM 0 H ARG A 33 -15.815 3.170 0.833 1.00 0.00 H new ATOM 0 HA ARG A 33 -13.094 3.611 0.272 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -15.290 2.264 -1.350 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -13.576 2.128 -1.690 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -13.529 1.346 0.890 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -15.182 0.900 0.515 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -13.027 0.116 -1.432 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -13.137 -0.769 0.077 1.00 0.00 H new ATOM 0 HE ARG A 33 -15.685 -0.485 -1.382 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -12.792 -2.415 -0.771 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -13.533 -3.915 -1.339 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -16.630 -2.416 -2.108 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -15.697 -3.916 -2.092 1.00 0.00 H new ATOM 474 N PRO A 34 -12.839 5.137 -1.691 1.00 0.00 N ATOM 475 CA PRO A 34 -12.659 6.184 -2.701 1.00 0.00 C ATOM 476 C PRO A 34 -13.076 5.724 -4.093 1.00 0.00 C ATOM 477 O PRO A 34 -13.751 4.706 -4.246 1.00 0.00 O ATOM 478 CB PRO A 34 -11.154 6.463 -2.658 1.00 0.00 C ATOM 479 CG PRO A 34 -10.549 5.200 -2.149 1.00 0.00 C ATOM 480 CD PRO A 34 -11.554 4.615 -1.195 1.00 0.00 C ATOM 0 HA PRO A 34 -13.275 7.060 -2.495 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -10.770 6.716 -3.646 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -10.926 7.304 -2.003 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -10.340 4.510 -2.967 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -9.602 5.396 -1.647 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -11.532 3.525 -1.206 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -11.363 4.927 -0.168 1.00 0.00 H new ATOM 488 N VAL A 35 -12.670 6.481 -5.108 1.00 0.00 N ATOM 489 CA VAL A 35 -13.001 6.150 -6.489 1.00 0.00 C ATOM 490 C VAL A 35 -11.745 6.063 -7.349 1.00 0.00 C ATOM 491 O VAL A 35 -10.714 6.653 -7.025 1.00 0.00 O ATOM 492 CB VAL A 35 -13.958 7.190 -7.101 1.00 0.00 C ATOM 493 CG1 VAL A 35 -13.487 8.601 -6.785 1.00 0.00 C ATOM 494 CG2 VAL A 35 -14.078 6.984 -8.604 1.00 0.00 C ATOM 0 H VAL A 35 -12.111 7.328 -5.000 1.00 0.00 H new ATOM 0 HA VAL A 35 -13.495 5.178 -6.473 1.00 0.00 H new ATOM 0 HB VAL A 35 -14.945 7.054 -6.658 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -14.176 9.322 -7.226 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.457 8.741 -5.704 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -12.490 8.753 -7.198 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -14.758 7.727 -9.020 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -13.096 7.092 -9.066 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.466 5.985 -8.805 1.00 0.00 H new ATOM 504 N LYS A 36 -11.838 5.323 -8.449 1.00 0.00 N ATOM 505 CA LYS A 36 -10.711 5.159 -9.359 1.00 0.00 C ATOM 506 C LYS A 36 -10.645 6.310 -10.357 1.00 0.00 C ATOM 507 O LYS A 36 -11.563 6.509 -11.151 1.00 0.00 O ATOM 508 CB LYS A 36 -10.822 3.827 -10.106 1.00 0.00 C ATOM 509 CG LYS A 36 -9.691 3.587 -11.091 1.00 0.00 C ATOM 510 CD LYS A 36 -9.722 2.171 -11.640 1.00 0.00 C ATOM 511 CE LYS A 36 -9.034 1.193 -10.701 1.00 0.00 C ATOM 512 NZ LYS A 36 -9.942 0.735 -9.613 1.00 0.00 N ATOM 0 H LYS A 36 -12.683 4.827 -8.732 1.00 0.00 H new ATOM 0 HA LYS A 36 -9.795 5.162 -8.768 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.840 3.014 -9.381 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.771 3.798 -10.641 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.766 4.299 -11.913 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.735 3.767 -10.600 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.756 1.862 -11.794 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.233 2.147 -12.614 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.683 0.331 -11.268 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.155 1.666 -10.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.793 -0.280 -9.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.738 1.267 -8.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.930 0.897 -9.894 1.00 0.00 H new ATOM 526 N GLY A 37 -9.551 7.065 -10.312 1.00 0.00 N ATOM 527 CA GLY A 37 -9.386 8.186 -11.218 1.00 0.00 C ATOM 528 C GLY A 37 -9.190 9.499 -10.487 1.00 0.00 C ATOM 529 O GLY A 37 -8.976 10.538 -11.111 1.00 0.00 O ATOM 0 H GLY A 37 -8.777 6.920 -9.664 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -8.528 8.003 -11.865 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -10.262 8.260 -11.863 1.00 0.00 H new ATOM 533 N GLN A 38 -9.265 9.453 -9.161 1.00 0.00 N ATOM 534 CA GLN A 38 -9.097 10.649 -8.344 1.00 0.00 C ATOM 535 C GLN A 38 -7.751 10.633 -7.626 1.00 0.00 C ATOM 536 O GLN A 38 -7.083 9.601 -7.561 1.00 0.00 O ATOM 537 CB GLN A 38 -10.231 10.760 -7.325 1.00 0.00 C ATOM 538 CG GLN A 38 -11.580 11.080 -7.949 1.00 0.00 C ATOM 539 CD GLN A 38 -12.540 11.722 -6.967 1.00 0.00 C ATOM 540 OE1 GLN A 38 -13.685 11.290 -6.827 1.00 0.00 O ATOM 541 NE2 GLN A 38 -12.078 12.760 -6.280 1.00 0.00 N ATOM 0 H GLN A 38 -9.441 8.600 -8.629 1.00 0.00 H new ATOM 0 HA GLN A 38 -9.126 11.516 -9.004 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.308 9.822 -6.775 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -9.982 11.535 -6.600 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -11.434 11.748 -8.798 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -12.023 10.163 -8.337 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -11.122 13.085 -6.428 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -12.679 13.233 -5.605 1.00 0.00 H new ATOM 550 N VAL A 39 -7.360 11.784 -7.087 1.00 0.00 N ATOM 551 CA VAL A 39 -6.095 11.902 -6.372 1.00 0.00 C ATOM 552 C VAL A 39 -6.198 11.311 -4.971 1.00 0.00 C ATOM 553 O VAL A 39 -6.924 11.827 -4.120 1.00 0.00 O ATOM 554 CB VAL A 39 -5.645 13.371 -6.267 1.00 0.00 C ATOM 555 CG1 VAL A 39 -4.490 13.507 -5.287 1.00 0.00 C ATOM 556 CG2 VAL A 39 -5.259 13.910 -7.636 1.00 0.00 C ATOM 0 H VAL A 39 -7.901 12.647 -7.132 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.354 11.343 -6.944 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.480 13.962 -5.892 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.186 14.552 -5.226 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.806 13.163 -4.302 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.649 12.904 -5.629 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.944 14.949 -7.542 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.439 13.317 -8.042 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.117 13.850 -8.306 1.00 0.00 H new ATOM 566 N VAL A 40 -5.467 10.227 -4.736 1.00 0.00 N ATOM 567 CA VAL A 40 -5.475 9.566 -3.436 1.00 0.00 C ATOM 568 C VAL A 40 -4.121 9.693 -2.747 1.00 0.00 C ATOM 569 O VAL A 40 -3.082 9.382 -3.330 1.00 0.00 O ATOM 570 CB VAL A 40 -5.834 8.074 -3.567 1.00 0.00 C ATOM 571 CG1 VAL A 40 -7.338 7.876 -3.465 1.00 0.00 C ATOM 572 CG2 VAL A 40 -5.301 7.511 -4.876 1.00 0.00 C ATOM 0 H VAL A 40 -4.861 9.787 -5.429 1.00 0.00 H new ATOM 0 HA VAL A 40 -6.235 10.063 -2.833 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.364 7.531 -2.747 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -7.573 6.816 -3.560 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -7.688 8.240 -2.499 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -7.833 8.430 -4.263 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.564 6.456 -4.952 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -5.740 8.055 -5.712 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.217 7.618 -4.903 1.00 0.00 H new ATOM 582 N THR A 41 -4.139 10.153 -1.499 1.00 0.00 N ATOM 583 CA THR A 41 -2.913 10.323 -0.730 1.00 0.00 C ATOM 584 C THR A 41 -2.849 9.333 0.428 1.00 0.00 C ATOM 585 O THR A 41 -3.722 9.319 1.295 1.00 0.00 O ATOM 586 CB THR A 41 -2.792 11.754 -0.173 1.00 0.00 C ATOM 587 OG1 THR A 41 -3.179 12.703 -1.174 1.00 0.00 O ATOM 588 CG2 THR A 41 -1.368 12.040 0.280 1.00 0.00 C ATOM 0 H THR A 41 -4.989 10.414 -1.000 1.00 0.00 H new ATOM 0 HA THR A 41 -2.084 10.135 -1.412 1.00 0.00 H new ATOM 0 HB THR A 41 -3.455 11.843 0.688 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.101 13.610 -0.812 1.00 0.00 H new ATOM 0 HG21 THR A 41 -1.307 13.056 0.669 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.086 11.334 1.062 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.689 11.934 -0.566 1.00 0.00 H new ATOM 596 N VAL A 42 -1.809 8.504 0.435 1.00 0.00 N ATOM 597 CA VAL A 42 -1.631 7.512 1.488 1.00 0.00 C ATOM 598 C VAL A 42 -0.175 7.441 1.935 1.00 0.00 C ATOM 599 O VAL A 42 0.694 8.103 1.367 1.00 0.00 O ATOM 600 CB VAL A 42 -2.082 6.114 1.024 1.00 0.00 C ATOM 601 CG1 VAL A 42 -3.398 6.202 0.266 1.00 0.00 C ATOM 602 CG2 VAL A 42 -1.006 5.464 0.167 1.00 0.00 C ATOM 0 H VAL A 42 -1.078 8.500 -0.276 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.251 7.826 2.327 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.238 5.491 1.905 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.701 5.205 -0.054 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.165 6.623 0.916 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.272 6.841 -0.608 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.342 4.477 -0.152 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.816 6.083 -0.710 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.089 5.365 0.748 1.00 0.00 H new ATOM 612 N HIS A 43 0.086 6.632 2.958 1.00 0.00 N ATOM 613 CA HIS A 43 1.438 6.473 3.482 1.00 0.00 C ATOM 614 C HIS A 43 1.941 5.050 3.263 1.00 0.00 C ATOM 615 O HIS A 43 1.586 4.133 4.005 1.00 0.00 O ATOM 616 CB HIS A 43 1.473 6.816 4.971 1.00 0.00 C ATOM 617 CG HIS A 43 2.860 6.976 5.516 1.00 0.00 C ATOM 618 ND1 HIS A 43 4.026 6.392 5.155 1.00 0.00 N flip ATOM 619 CD2 HIS A 43 3.164 7.822 6.561 1.00 0.00 C flip ATOM 620 CE1 HIS A 43 5.004 6.891 5.979 1.00 0.00 C flip ATOM 621 NE2 HIS A 43 4.458 7.752 6.819 1.00 0.00 N flip ATOM 0 H HIS A 43 -0.621 6.077 3.440 1.00 0.00 H new ATOM 0 HA HIS A 43 2.094 7.158 2.944 1.00 0.00 H new ATOM 0 HB2 HIS A 43 0.918 7.739 5.136 1.00 0.00 H new ATOM 0 HB3 HIS A 43 0.961 6.032 5.528 1.00 0.00 H new ATOM 0 HD2 HIS A 43 2.455 8.445 7.087 1.00 0.00 H new ATOM 0 HE1 HIS A 43 6.050 6.623 5.946 1.00 0.00 H new ATOM 0 HE2 HIS A 43 4.951 8.274 7.543 1.00 0.00 H new ATOM 630 N LEU A 44 2.770 4.872 2.239 1.00 0.00 N ATOM 631 CA LEU A 44 3.322 3.559 1.922 1.00 0.00 C ATOM 632 C LEU A 44 4.775 3.457 2.374 1.00 0.00 C ATOM 633 O LEU A 44 5.573 4.364 2.139 1.00 0.00 O ATOM 634 CB LEU A 44 3.223 3.293 0.419 1.00 0.00 C ATOM 635 CG LEU A 44 4.347 2.453 -0.189 1.00 0.00 C ATOM 636 CD1 LEU A 44 5.646 3.244 -0.222 1.00 0.00 C ATOM 637 CD2 LEU A 44 4.528 1.159 0.590 1.00 0.00 C ATOM 0 H LEU A 44 3.074 5.619 1.615 1.00 0.00 H new ATOM 0 HA LEU A 44 2.741 2.808 2.457 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.275 2.793 0.220 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.193 4.252 -0.098 1.00 0.00 H new ATOM 0 HG LEU A 44 4.073 2.201 -1.213 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.435 2.631 -0.658 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.510 4.142 -0.825 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.925 3.527 0.793 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.332 0.574 0.143 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.780 1.390 1.625 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.602 0.584 0.561 1.00 0.00 H new ATOM 649 N GLN A 45 5.111 2.345 3.020 1.00 0.00 N ATOM 650 CA GLN A 45 6.469 2.124 3.503 1.00 0.00 C ATOM 651 C GLN A 45 6.969 0.738 3.107 1.00 0.00 C ATOM 652 O GLN A 45 6.458 -0.277 3.580 1.00 0.00 O ATOM 653 CB GLN A 45 6.525 2.283 5.023 1.00 0.00 C ATOM 654 CG GLN A 45 6.235 3.698 5.498 1.00 0.00 C ATOM 655 CD GLN A 45 6.673 3.934 6.930 1.00 0.00 C ATOM 656 OE1 GLN A 45 7.968 3.788 7.185 1.00 0.00 O flip ATOM 657 NE2 GLN A 45 5.857 4.245 7.798 1.00 0.00 N flip ATOM 0 H GLN A 45 4.462 1.584 3.221 1.00 0.00 H new ATOM 0 HA GLN A 45 7.117 2.870 3.042 1.00 0.00 H new ATOM 0 HB2 GLN A 45 5.806 1.601 5.478 1.00 0.00 H new ATOM 0 HB3 GLN A 45 7.513 1.986 5.375 1.00 0.00 H new ATOM 0 HG2 GLN A 45 6.743 4.408 4.845 1.00 0.00 H new ATOM 0 HG3 GLN A 45 5.166 3.894 5.412 1.00 0.00 H new ATOM 0 HE21 GLN A 45 4.871 4.346 7.558 1.00 0.00 H new ATOM 0 HE22 GLN A 45 6.167 4.401 8.757 1.00 0.00 H new ATOM 666 N THR A 46 7.971 0.703 2.234 1.00 0.00 N ATOM 667 CA THR A 46 8.539 -0.557 1.772 1.00 0.00 C ATOM 668 C THR A 46 9.644 -1.037 2.706 1.00 0.00 C ATOM 669 O THR A 46 10.528 -0.268 3.084 1.00 0.00 O ATOM 670 CB THR A 46 9.107 -0.428 0.346 1.00 0.00 C ATOM 671 OG1 THR A 46 8.139 0.185 -0.513 1.00 0.00 O ATOM 672 CG2 THR A 46 9.493 -1.791 -0.208 1.00 0.00 C ATOM 0 H THR A 46 8.406 1.534 1.833 1.00 0.00 H new ATOM 0 HA THR A 46 7.729 -1.286 1.767 1.00 0.00 H new ATOM 0 HB THR A 46 10.000 0.195 0.389 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.588 0.812 -1.117 1.00 0.00 H new ATOM 0 HG21 THR A 46 9.891 -1.675 -1.216 1.00 0.00 H new ATOM 0 HG22 THR A 46 10.251 -2.242 0.432 1.00 0.00 H new ATOM 0 HG23 THR A 46 8.613 -2.434 -0.238 1.00 0.00 H new ATOM 680 N SER A 47 9.589 -2.313 3.073 1.00 0.00 N ATOM 681 CA SER A 47 10.585 -2.895 3.966 1.00 0.00 C ATOM 682 C SER A 47 10.799 -4.372 3.652 1.00 0.00 C ATOM 683 O SER A 47 9.841 -5.126 3.474 1.00 0.00 O ATOM 684 CB SER A 47 10.153 -2.729 5.424 1.00 0.00 C ATOM 685 OG SER A 47 9.611 -1.439 5.652 1.00 0.00 O ATOM 0 H SER A 47 8.866 -2.964 2.766 1.00 0.00 H new ATOM 0 HA SER A 47 11.527 -2.369 3.812 1.00 0.00 H new ATOM 0 HB2 SER A 47 9.412 -3.488 5.676 1.00 0.00 H new ATOM 0 HB3 SER A 47 11.008 -2.889 6.080 1.00 0.00 H new ATOM 0 HG SER A 47 9.341 -1.359 6.591 1.00 0.00 H new ATOM 691 N LEU A 48 12.062 -4.780 3.585 1.00 0.00 N ATOM 692 CA LEU A 48 12.404 -6.167 3.293 1.00 0.00 C ATOM 693 C LEU A 48 11.726 -7.114 4.278 1.00 0.00 C ATOM 694 O LEU A 48 11.501 -6.763 5.436 1.00 0.00 O ATOM 695 CB LEU A 48 13.920 -6.361 3.342 1.00 0.00 C ATOM 696 CG LEU A 48 14.668 -6.145 2.026 1.00 0.00 C ATOM 697 CD1 LEU A 48 14.439 -7.317 1.084 1.00 0.00 C ATOM 698 CD2 LEU A 48 14.233 -4.841 1.373 1.00 0.00 C ATOM 0 H LEU A 48 12.866 -4.169 3.729 1.00 0.00 H new ATOM 0 HA LEU A 48 12.047 -6.400 2.290 1.00 0.00 H new ATOM 0 HB2 LEU A 48 14.330 -5.678 4.086 1.00 0.00 H new ATOM 0 HB3 LEU A 48 14.125 -7.373 3.691 1.00 0.00 H new ATOM 0 HG LEU A 48 15.734 -6.082 2.242 1.00 0.00 H new ATOM 0 HD11 LEU A 48 14.979 -7.146 0.153 1.00 0.00 H new ATOM 0 HD12 LEU A 48 14.800 -8.234 1.550 1.00 0.00 H new ATOM 0 HD13 LEU A 48 13.374 -7.412 0.874 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.776 -4.704 0.438 1.00 0.00 H new ATOM 0 HD22 LEU A 48 13.163 -4.875 1.170 1.00 0.00 H new ATOM 0 HD23 LEU A 48 14.449 -4.009 2.043 1.00 0.00 H new ATOM 710 N GLU A 49 11.406 -8.317 3.810 1.00 0.00 N ATOM 711 CA GLU A 49 10.755 -9.314 4.651 1.00 0.00 C ATOM 712 C GLU A 49 11.507 -9.489 5.968 1.00 0.00 C ATOM 713 O GLU A 49 10.951 -9.976 6.952 1.00 0.00 O ATOM 714 CB GLU A 49 10.671 -10.655 3.918 1.00 0.00 C ATOM 715 CG GLU A 49 10.134 -11.786 4.779 1.00 0.00 C ATOM 716 CD GLU A 49 8.753 -11.494 5.333 1.00 0.00 C ATOM 717 OE1 GLU A 49 7.837 -11.221 4.530 1.00 0.00 O ATOM 718 OE2 GLU A 49 8.589 -11.539 6.570 1.00 0.00 O ATOM 0 H GLU A 49 11.587 -8.624 2.854 1.00 0.00 H new ATOM 0 HA GLU A 49 9.746 -8.964 4.871 1.00 0.00 H new ATOM 0 HB2 GLU A 49 10.032 -10.541 3.042 1.00 0.00 H new ATOM 0 HB3 GLU A 49 11.663 -10.925 3.556 1.00 0.00 H new ATOM 0 HG2 GLU A 49 10.098 -12.701 4.188 1.00 0.00 H new ATOM 0 HG3 GLU A 49 10.822 -11.967 5.605 1.00 0.00 H new ATOM 725 N ASN A 50 12.774 -9.088 5.977 1.00 0.00 N ATOM 726 CA ASN A 50 13.602 -9.200 7.172 1.00 0.00 C ATOM 727 C ASN A 50 13.388 -8.007 8.097 1.00 0.00 C ATOM 728 O ASN A 50 13.366 -8.151 9.319 1.00 0.00 O ATOM 729 CB ASN A 50 15.079 -9.302 6.786 1.00 0.00 C ATOM 730 CG ASN A 50 15.418 -8.463 5.569 1.00 0.00 C ATOM 731 OD1 ASN A 50 15.405 -7.233 5.626 1.00 0.00 O ATOM 732 ND2 ASN A 50 15.722 -9.126 4.459 1.00 0.00 N ATOM 0 H ASN A 50 13.249 -8.683 5.171 1.00 0.00 H new ATOM 0 HA ASN A 50 13.308 -10.105 7.703 1.00 0.00 H new ATOM 0 HB2 ASN A 50 15.694 -8.982 7.627 1.00 0.00 H new ATOM 0 HB3 ASN A 50 15.328 -10.344 6.586 1.00 0.00 H new ATOM 0 HD21 ASN A 50 15.957 -8.615 3.608 1.00 0.00 H new ATOM 0 HD22 ASN A 50 15.720 -10.146 4.458 1.00 0.00 H new ATOM 739 N GLY A 51 13.230 -6.827 7.505 1.00 0.00 N ATOM 740 CA GLY A 51 13.018 -5.625 8.291 1.00 0.00 C ATOM 741 C GLY A 51 13.925 -4.487 7.865 1.00 0.00 C ATOM 742 O GLY A 51 14.242 -3.603 8.661 1.00 0.00 O ATOM 0 H GLY A 51 13.245 -6.682 6.495 1.00 0.00 H new ATOM 0 HA2 GLY A 51 11.978 -5.312 8.197 1.00 0.00 H new ATOM 0 HA3 GLY A 51 13.190 -5.848 9.344 1.00 0.00 H new ATOM 746 N THR A 52 14.345 -4.508 6.603 1.00 0.00 N ATOM 747 CA THR A 52 15.223 -3.472 6.073 1.00 0.00 C ATOM 748 C THR A 52 14.438 -2.452 5.256 1.00 0.00 C ATOM 749 O THR A 52 14.221 -2.638 4.058 1.00 0.00 O ATOM 750 CB THR A 52 16.334 -4.074 5.192 1.00 0.00 C ATOM 751 OG1 THR A 52 16.934 -5.192 5.856 1.00 0.00 O ATOM 752 CG2 THR A 52 17.398 -3.034 4.878 1.00 0.00 C ATOM 0 H THR A 52 14.091 -5.231 5.930 1.00 0.00 H new ATOM 0 HA THR A 52 15.679 -2.975 6.929 1.00 0.00 H new ATOM 0 HB THR A 52 15.885 -4.406 4.256 1.00 0.00 H new ATOM 0 HG1 THR A 52 16.282 -5.920 5.925 1.00 0.00 H new ATOM 0 HG21 THR A 52 18.172 -3.482 4.255 1.00 0.00 H new ATOM 0 HG22 THR A 52 16.944 -2.198 4.347 1.00 0.00 H new ATOM 0 HG23 THR A 52 17.842 -2.676 5.807 1.00 0.00 H new ATOM 760 N ARG A 53 14.017 -1.375 5.910 1.00 0.00 N ATOM 761 CA ARG A 53 13.256 -0.325 5.243 1.00 0.00 C ATOM 762 C ARG A 53 13.981 0.160 3.990 1.00 0.00 C ATOM 763 O ARG A 53 15.072 0.724 4.071 1.00 0.00 O ATOM 764 CB ARG A 53 13.021 0.848 6.196 1.00 0.00 C ATOM 765 CG ARG A 53 11.743 0.726 7.009 1.00 0.00 C ATOM 766 CD ARG A 53 11.164 2.092 7.344 1.00 0.00 C ATOM 767 NE ARG A 53 12.006 2.828 8.283 1.00 0.00 N ATOM 768 CZ ARG A 53 12.089 2.540 9.577 1.00 0.00 C ATOM 769 NH1 ARG A 53 11.385 1.537 10.083 1.00 0.00 N ATOM 770 NH2 ARG A 53 12.878 3.256 10.368 1.00 0.00 N ATOM 0 H ARG A 53 14.190 -1.206 6.901 1.00 0.00 H new ATOM 0 HA ARG A 53 12.293 -0.741 4.946 1.00 0.00 H new ATOM 0 HB2 ARG A 53 13.868 0.927 6.877 1.00 0.00 H new ATOM 0 HB3 ARG A 53 12.988 1.772 5.619 1.00 0.00 H new ATOM 0 HG2 ARG A 53 11.009 0.145 6.450 1.00 0.00 H new ATOM 0 HG3 ARG A 53 11.947 0.180 7.930 1.00 0.00 H new ATOM 0 HD2 ARG A 53 11.050 2.672 6.428 1.00 0.00 H new ATOM 0 HD3 ARG A 53 10.168 1.969 7.770 1.00 0.00 H new ATOM 0 HE ARG A 53 12.561 3.606 7.926 1.00 0.00 H new ATOM 0 HH11 ARG A 53 10.778 0.984 9.478 1.00 0.00 H new ATOM 0 HH12 ARG A 53 11.451 1.318 11.077 1.00 0.00 H new ATOM 0 HH21 ARG A 53 13.421 4.028 9.982 1.00 0.00 H new ATOM 0 HH22 ARG A 53 12.941 3.034 11.362 1.00 0.00 H new ATOM 784 N VAL A 54 13.366 -0.065 2.833 1.00 0.00 N ATOM 785 CA VAL A 54 13.952 0.349 1.564 1.00 0.00 C ATOM 786 C VAL A 54 13.629 1.807 1.259 1.00 0.00 C ATOM 787 O VAL A 54 14.514 2.591 0.918 1.00 0.00 O ATOM 788 CB VAL A 54 13.453 -0.530 0.402 1.00 0.00 C ATOM 789 CG1 VAL A 54 13.987 -0.015 -0.926 1.00 0.00 C ATOM 790 CG2 VAL A 54 13.854 -1.981 0.621 1.00 0.00 C ATOM 0 H VAL A 54 12.463 -0.531 2.749 1.00 0.00 H new ATOM 0 HA VAL A 54 15.031 0.232 1.661 1.00 0.00 H new ATOM 0 HB VAL A 54 12.365 -0.478 0.372 1.00 0.00 H new ATOM 0 HG11 VAL A 54 13.624 -0.649 -1.735 1.00 0.00 H new ATOM 0 HG12 VAL A 54 13.644 1.007 -1.084 1.00 0.00 H new ATOM 0 HG13 VAL A 54 15.077 -0.034 -0.912 1.00 0.00 H new ATOM 0 HG21 VAL A 54 13.493 -2.588 -0.210 1.00 0.00 H new ATOM 0 HG22 VAL A 54 14.940 -2.054 0.678 1.00 0.00 H new ATOM 0 HG23 VAL A 54 13.417 -2.343 1.551 1.00 0.00 H new ATOM 800 N GLN A 55 12.354 2.163 1.384 1.00 0.00 N ATOM 801 CA GLN A 55 11.914 3.528 1.122 1.00 0.00 C ATOM 802 C GLN A 55 10.818 3.944 2.097 1.00 0.00 C ATOM 803 O GLN A 55 10.089 3.102 2.621 1.00 0.00 O ATOM 804 CB GLN A 55 11.409 3.656 -0.316 1.00 0.00 C ATOM 805 CG GLN A 55 9.929 3.346 -0.471 1.00 0.00 C ATOM 806 CD GLN A 55 9.446 3.500 -1.900 1.00 0.00 C ATOM 807 OE1 GLN A 55 8.912 2.561 -2.491 1.00 0.00 O ATOM 808 NE2 GLN A 55 9.633 4.688 -2.464 1.00 0.00 N ATOM 0 H GLN A 55 11.609 1.526 1.665 1.00 0.00 H new ATOM 0 HA GLN A 55 12.768 4.191 1.260 1.00 0.00 H new ATOM 0 HB2 GLN A 55 11.598 4.669 -0.670 1.00 0.00 H new ATOM 0 HB3 GLN A 55 11.981 2.983 -0.955 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.738 2.327 -0.135 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.353 4.008 0.176 1.00 0.00 H new ATOM 0 HE21 GLN A 55 10.080 5.438 -1.937 1.00 0.00 H new ATOM 0 HE22 GLN A 55 9.330 4.850 -3.424 1.00 0.00 H new ATOM 817 N GLU A 56 10.708 5.247 2.336 1.00 0.00 N ATOM 818 CA GLU A 56 9.700 5.773 3.250 1.00 0.00 C ATOM 819 C GLU A 56 9.003 6.990 2.649 1.00 0.00 C ATOM 820 O GLU A 56 9.546 8.094 2.656 1.00 0.00 O ATOM 821 CB GLU A 56 10.340 6.147 4.589 1.00 0.00 C ATOM 822 CG GLU A 56 9.343 6.648 5.620 1.00 0.00 C ATOM 823 CD GLU A 56 10.000 7.462 6.719 1.00 0.00 C ATOM 824 OE1 GLU A 56 10.968 6.962 7.329 1.00 0.00 O ATOM 825 OE2 GLU A 56 9.546 8.598 6.968 1.00 0.00 O ATOM 0 H GLU A 56 11.304 5.957 1.910 1.00 0.00 H new ATOM 0 HA GLU A 56 8.955 4.995 3.416 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.859 5.276 4.990 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.093 6.917 4.420 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.588 7.257 5.124 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.825 5.797 6.063 1.00 0.00 H new ATOM 832 N GLU A 57 7.798 6.778 2.130 1.00 0.00 N ATOM 833 CA GLU A 57 7.027 7.858 1.524 1.00 0.00 C ATOM 834 C GLU A 57 5.854 8.256 2.416 1.00 0.00 C ATOM 835 O GLU A 57 4.827 7.579 2.472 1.00 0.00 O ATOM 836 CB GLU A 57 6.515 7.437 0.145 1.00 0.00 C ATOM 837 CG GLU A 57 6.230 8.607 -0.781 1.00 0.00 C ATOM 838 CD GLU A 57 7.337 9.643 -0.771 1.00 0.00 C ATOM 839 OE1 GLU A 57 8.514 9.253 -0.919 1.00 0.00 O ATOM 840 OE2 GLU A 57 7.027 10.842 -0.614 1.00 0.00 O ATOM 0 H GLU A 57 7.335 5.869 2.117 1.00 0.00 H new ATOM 0 HA GLU A 57 7.684 8.721 1.411 1.00 0.00 H new ATOM 0 HB2 GLU A 57 7.252 6.785 -0.323 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.604 6.852 0.268 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.094 8.236 -1.797 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.293 9.079 -0.486 1.00 0.00 H new ATOM 847 N PRO A 58 6.009 9.380 3.130 1.00 0.00 N ATOM 848 CA PRO A 58 4.974 9.894 4.032 1.00 0.00 C ATOM 849 C PRO A 58 3.759 10.424 3.277 1.00 0.00 C ATOM 850 O PRO A 58 2.620 10.107 3.617 1.00 0.00 O ATOM 851 CB PRO A 58 5.681 11.031 4.773 1.00 0.00 C ATOM 852 CG PRO A 58 6.763 11.471 3.847 1.00 0.00 C ATOM 853 CD PRO A 58 7.207 10.237 3.112 1.00 0.00 C ATOM 0 HA PRO A 58 4.584 9.117 4.689 1.00 0.00 H new ATOM 0 HB2 PRO A 58 4.993 11.847 4.995 1.00 0.00 H new ATOM 0 HB3 PRO A 58 6.089 10.690 5.725 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.399 12.228 3.153 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.591 11.916 4.398 1.00 0.00 H new ATOM 0 HD2 PRO A 58 7.521 10.467 2.094 1.00 0.00 H new ATOM 0 HD3 PRO A 58 8.052 9.757 3.606 1.00 0.00 H new ATOM 861 N GLU A 59 4.011 11.232 2.252 1.00 0.00 N ATOM 862 CA GLU A 59 2.937 11.806 1.451 1.00 0.00 C ATOM 863 C GLU A 59 2.974 11.266 0.024 1.00 0.00 C ATOM 864 O GLU A 59 3.483 11.922 -0.887 1.00 0.00 O ATOM 865 CB GLU A 59 3.043 13.333 1.433 1.00 0.00 C ATOM 866 CG GLU A 59 1.812 14.022 0.870 1.00 0.00 C ATOM 867 CD GLU A 59 1.741 15.489 1.246 1.00 0.00 C ATOM 868 OE1 GLU A 59 2.396 16.307 0.567 1.00 0.00 O ATOM 869 OE2 GLU A 59 1.031 15.819 2.219 1.00 0.00 O ATOM 0 H GLU A 59 4.949 11.504 1.957 1.00 0.00 H new ATOM 0 HA GLU A 59 1.988 11.520 1.905 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.215 13.689 2.449 1.00 0.00 H new ATOM 0 HB3 GLU A 59 3.912 13.621 0.842 1.00 0.00 H new ATOM 0 HG2 GLU A 59 1.813 13.929 -0.216 1.00 0.00 H new ATOM 0 HG3 GLU A 59 0.918 13.514 1.233 1.00 0.00 H new ATOM 876 N LEU A 60 2.434 10.068 -0.163 1.00 0.00 N ATOM 877 CA LEU A 60 2.405 9.438 -1.478 1.00 0.00 C ATOM 878 C LEU A 60 1.101 9.752 -2.204 1.00 0.00 C ATOM 879 O LEU A 60 0.017 9.415 -1.728 1.00 0.00 O ATOM 880 CB LEU A 60 2.576 7.924 -1.344 1.00 0.00 C ATOM 881 CG LEU A 60 2.211 7.095 -2.577 1.00 0.00 C ATOM 882 CD1 LEU A 60 0.701 7.001 -2.729 1.00 0.00 C ATOM 883 CD2 LEU A 60 2.839 7.695 -3.827 1.00 0.00 C ATOM 0 H LEU A 60 2.010 9.512 0.580 1.00 0.00 H new ATOM 0 HA LEU A 60 3.231 9.840 -2.064 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.615 7.717 -1.086 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.966 7.582 -0.508 1.00 0.00 H new ATOM 0 HG LEU A 60 2.605 6.087 -2.444 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.460 6.408 -3.611 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.275 6.526 -1.845 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.283 8.002 -2.840 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.569 7.093 -4.695 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.475 8.713 -3.964 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.923 7.709 -3.718 1.00 0.00 H new ATOM 895 N VAL A 61 1.214 10.397 -3.361 1.00 0.00 N ATOM 896 CA VAL A 61 0.044 10.754 -4.154 1.00 0.00 C ATOM 897 C VAL A 61 0.103 10.116 -5.537 1.00 0.00 C ATOM 898 O VAL A 61 1.178 9.967 -6.119 1.00 0.00 O ATOM 899 CB VAL A 61 -0.084 12.281 -4.311 1.00 0.00 C ATOM 900 CG1 VAL A 61 1.161 12.857 -4.967 1.00 0.00 C ATOM 901 CG2 VAL A 61 -1.329 12.631 -5.112 1.00 0.00 C ATOM 0 H VAL A 61 2.104 10.683 -3.770 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.828 10.377 -3.619 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.181 12.724 -3.320 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.052 13.937 -5.069 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.032 12.637 -4.350 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.293 12.411 -5.953 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.404 13.714 -5.213 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.265 12.178 -6.101 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.212 12.253 -4.596 1.00 0.00 H new ATOM 911 N PHE A 62 -1.060 9.740 -6.060 1.00 0.00 N ATOM 912 CA PHE A 62 -1.141 9.116 -7.376 1.00 0.00 C ATOM 913 C PHE A 62 -2.570 9.156 -7.909 1.00 0.00 C ATOM 914 O PHE A 62 -3.509 9.478 -7.180 1.00 0.00 O ATOM 915 CB PHE A 62 -0.650 7.669 -7.309 1.00 0.00 C ATOM 916 CG PHE A 62 -1.566 6.760 -6.540 1.00 0.00 C ATOM 917 CD1 PHE A 62 -2.818 6.436 -7.037 1.00 0.00 C ATOM 918 CD2 PHE A 62 -1.174 6.228 -5.322 1.00 0.00 C ATOM 919 CE1 PHE A 62 -3.663 5.600 -6.331 1.00 0.00 C ATOM 920 CE2 PHE A 62 -2.015 5.392 -4.612 1.00 0.00 C ATOM 921 CZ PHE A 62 -3.261 5.077 -5.118 1.00 0.00 C ATOM 0 H PHE A 62 -1.959 9.857 -5.593 1.00 0.00 H new ATOM 0 HA PHE A 62 -0.502 9.678 -8.057 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -0.537 7.285 -8.323 1.00 0.00 H new ATOM 0 HB3 PHE A 62 0.338 7.650 -6.849 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -3.137 6.841 -7.986 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -0.200 6.469 -4.923 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -4.637 5.356 -6.728 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -1.698 4.986 -3.663 1.00 0.00 H new ATOM 0 HZ PHE A 62 -3.920 4.423 -4.566 1.00 0.00 H new ATOM 931 N THR A 63 -2.728 8.827 -9.187 1.00 0.00 N ATOM 932 CA THR A 63 -4.040 8.826 -9.820 1.00 0.00 C ATOM 933 C THR A 63 -4.600 7.412 -9.925 1.00 0.00 C ATOM 934 O THR A 63 -4.366 6.712 -10.911 1.00 0.00 O ATOM 935 CB THR A 63 -3.986 9.450 -11.228 1.00 0.00 C ATOM 936 OG1 THR A 63 -3.517 10.800 -11.147 1.00 0.00 O ATOM 937 CG2 THR A 63 -5.357 9.422 -11.885 1.00 0.00 C ATOM 0 H THR A 63 -1.962 8.557 -9.804 1.00 0.00 H new ATOM 0 HA THR A 63 -4.695 9.427 -9.189 1.00 0.00 H new ATOM 0 HB THR A 63 -3.298 8.863 -11.836 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.484 11.189 -12.046 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.294 9.868 -12.878 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.698 8.390 -11.971 1.00 0.00 H new ATOM 0 HG23 THR A 63 -6.063 9.988 -11.277 1.00 0.00 H new ATOM 945 N LEU A 64 -5.340 6.997 -8.903 1.00 0.00 N ATOM 946 CA LEU A 64 -5.934 5.664 -8.880 1.00 0.00 C ATOM 947 C LEU A 64 -6.502 5.298 -10.248 1.00 0.00 C ATOM 948 O LEU A 64 -7.298 6.042 -10.820 1.00 0.00 O ATOM 949 CB LEU A 64 -7.036 5.594 -7.822 1.00 0.00 C ATOM 950 CG LEU A 64 -7.613 4.205 -7.545 1.00 0.00 C ATOM 951 CD1 LEU A 64 -6.536 3.279 -7.003 1.00 0.00 C ATOM 952 CD2 LEU A 64 -8.779 4.296 -6.572 1.00 0.00 C ATOM 0 H LEU A 64 -5.543 7.564 -8.080 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.152 4.948 -8.628 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.641 5.994 -6.888 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.851 6.249 -8.131 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.981 3.791 -8.484 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.965 2.295 -6.812 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -5.732 3.189 -7.734 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.138 3.688 -6.074 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -9.177 3.298 -6.387 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -8.436 4.730 -5.633 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.561 4.925 -6.998 1.00 0.00 H new ATOM 964 N GLY A 65 -6.090 4.145 -10.765 1.00 0.00 N ATOM 965 CA GLY A 65 -6.569 3.699 -12.060 1.00 0.00 C ATOM 966 C GLY A 65 -5.446 3.501 -13.058 1.00 0.00 C ATOM 967 O GLY A 65 -5.511 2.615 -13.910 1.00 0.00 O ATOM 0 H GLY A 65 -5.433 3.511 -10.310 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -7.113 2.762 -11.940 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.276 4.430 -12.454 1.00 0.00 H new ATOM 971 N ASP A 66 -4.412 4.330 -12.955 1.00 0.00 N ATOM 972 CA ASP A 66 -3.269 4.242 -13.856 1.00 0.00 C ATOM 973 C ASP A 66 -2.187 3.337 -13.275 1.00 0.00 C ATOM 974 O ASP A 66 -1.164 3.087 -13.914 1.00 0.00 O ATOM 975 CB ASP A 66 -2.697 5.635 -14.124 1.00 0.00 C ATOM 976 CG ASP A 66 -2.052 5.742 -15.492 1.00 0.00 C ATOM 977 OD1 ASP A 66 -2.794 5.836 -16.493 1.00 0.00 O ATOM 978 OD2 ASP A 66 -0.805 5.732 -15.563 1.00 0.00 O ATOM 0 H ASP A 66 -4.342 5.070 -12.257 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.611 3.810 -14.797 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.494 6.374 -14.042 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -1.960 5.876 -13.358 1.00 0.00 H new ATOM 983 N CYS A 67 -2.419 2.851 -12.060 1.00 0.00 N ATOM 984 CA CYS A 67 -1.463 1.976 -11.392 1.00 0.00 C ATOM 985 C CYS A 67 -0.071 2.599 -11.379 1.00 0.00 C ATOM 986 O CYS A 67 0.935 1.898 -11.491 1.00 0.00 O ATOM 987 CB CYS A 67 -1.418 0.612 -12.084 1.00 0.00 C ATOM 988 SG CYS A 67 -0.981 -0.758 -10.988 1.00 0.00 S ATOM 0 H CYS A 67 -3.260 3.048 -11.518 1.00 0.00 H new ATOM 0 HA CYS A 67 -1.790 1.842 -10.361 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -2.392 0.410 -12.529 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -0.697 0.654 -12.900 1.00 0.00 H new ATOM 0 HG CYS A 67 -0.971 -1.868 -11.664 1.00 0.00 H new ATOM 994 N ASP A 68 -0.022 3.920 -11.243 1.00 0.00 N ATOM 995 CA ASP A 68 1.247 4.638 -11.216 1.00 0.00 C ATOM 996 C ASP A 68 2.080 4.225 -10.007 1.00 0.00 C ATOM 997 O ASP A 68 3.270 4.532 -9.925 1.00 0.00 O ATOM 998 CB ASP A 68 1.002 6.148 -11.190 1.00 0.00 C ATOM 999 CG ASP A 68 2.158 6.932 -11.778 1.00 0.00 C ATOM 1000 OD1 ASP A 68 2.795 6.429 -12.727 1.00 0.00 O ATOM 1001 OD2 ASP A 68 2.428 8.049 -11.288 1.00 0.00 O ATOM 0 H ASP A 68 -0.846 4.515 -11.150 1.00 0.00 H new ATOM 0 HA ASP A 68 1.800 4.382 -12.120 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.093 6.375 -11.746 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.835 6.468 -10.162 1.00 0.00 H new ATOM 1006 N VAL A 69 1.447 3.528 -9.069 1.00 0.00 N ATOM 1007 CA VAL A 69 2.130 3.072 -7.864 1.00 0.00 C ATOM 1008 C VAL A 69 2.221 1.551 -7.826 1.00 0.00 C ATOM 1009 O VAL A 69 1.795 0.870 -8.759 1.00 0.00 O ATOM 1010 CB VAL A 69 1.413 3.564 -6.593 1.00 0.00 C ATOM 1011 CG1 VAL A 69 1.577 5.068 -6.434 1.00 0.00 C ATOM 1012 CG2 VAL A 69 -0.059 3.182 -6.630 1.00 0.00 C ATOM 0 H VAL A 69 0.462 3.267 -9.120 1.00 0.00 H new ATOM 0 HA VAL A 69 3.135 3.493 -7.891 1.00 0.00 H new ATOM 0 HB VAL A 69 1.870 3.080 -5.730 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.063 5.396 -5.530 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.637 5.312 -6.358 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.149 5.574 -7.299 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.550 3.538 -5.724 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.531 3.637 -7.501 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.152 2.098 -6.691 1.00 0.00 H new ATOM 1022 N ILE A 70 2.779 1.024 -6.741 1.00 0.00 N ATOM 1023 CA ILE A 70 2.925 -0.417 -6.581 1.00 0.00 C ATOM 1024 C ILE A 70 1.618 -1.140 -6.889 1.00 0.00 C ATOM 1025 O ILE A 70 0.535 -0.627 -6.612 1.00 0.00 O ATOM 1026 CB ILE A 70 3.377 -0.782 -5.154 1.00 0.00 C ATOM 1027 CG1 ILE A 70 4.444 0.200 -4.667 1.00 0.00 C ATOM 1028 CG2 ILE A 70 3.905 -2.209 -5.115 1.00 0.00 C ATOM 1029 CD1 ILE A 70 5.520 0.481 -5.692 1.00 0.00 C ATOM 0 H ILE A 70 3.137 1.574 -5.960 1.00 0.00 H new ATOM 0 HA ILE A 70 3.690 -0.737 -7.289 1.00 0.00 H new ATOM 0 HB ILE A 70 2.517 -0.715 -4.487 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.963 1.138 -4.390 1.00 0.00 H new ATOM 0 HG13 ILE A 70 4.908 -0.198 -3.765 1.00 0.00 H new ATOM 0 HG21 ILE A 70 4.221 -2.453 -4.101 1.00 0.00 H new ATOM 0 HG22 ILE A 70 3.118 -2.897 -5.425 1.00 0.00 H new ATOM 0 HG23 ILE A 70 4.755 -2.301 -5.791 1.00 0.00 H new ATOM 0 HD11 ILE A 70 6.242 1.185 -5.278 1.00 0.00 H new ATOM 0 HD12 ILE A 70 6.027 -0.448 -5.951 1.00 0.00 H new ATOM 0 HD13 ILE A 70 5.068 0.909 -6.586 1.00 0.00 H new ATOM 1041 N GLN A 71 1.729 -2.334 -7.462 1.00 0.00 N ATOM 1042 CA GLN A 71 0.555 -3.127 -7.807 1.00 0.00 C ATOM 1043 C GLN A 71 -0.143 -3.639 -6.551 1.00 0.00 C ATOM 1044 O GLN A 71 -1.271 -4.128 -6.612 1.00 0.00 O ATOM 1045 CB GLN A 71 0.953 -4.304 -8.699 1.00 0.00 C ATOM 1046 CG GLN A 71 0.960 -3.968 -10.182 1.00 0.00 C ATOM 1047 CD GLN A 71 0.734 -5.185 -11.057 1.00 0.00 C ATOM 1048 OE1 GLN A 71 1.275 -6.324 -10.639 1.00 0.00 O flip ATOM 1049 NE2 GLN A 71 0.081 -5.103 -12.097 1.00 0.00 N flip ATOM 0 H GLN A 71 2.619 -2.773 -7.697 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.139 -2.486 -8.351 1.00 0.00 H new ATOM 0 HB2 GLN A 71 1.945 -4.650 -8.409 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.264 -5.130 -8.525 1.00 0.00 H new ATOM 0 HG2 GLN A 71 0.185 -3.229 -10.387 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.914 -3.510 -10.442 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -0.317 -4.207 -12.380 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -0.062 -5.931 -12.676 1.00 0.00 H new ATOM 1058 N ALA A 72 0.535 -3.524 -5.414 1.00 0.00 N ATOM 1059 CA ALA A 72 -0.021 -3.973 -4.144 1.00 0.00 C ATOM 1060 C ALA A 72 -0.676 -2.819 -3.392 1.00 0.00 C ATOM 1061 O ALA A 72 -1.379 -3.029 -2.403 1.00 0.00 O ATOM 1062 CB ALA A 72 1.062 -4.615 -3.290 1.00 0.00 C ATOM 0 H ALA A 72 1.471 -3.123 -5.347 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.789 -4.717 -4.356 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.632 -4.945 -2.345 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.481 -5.472 -3.817 1.00 0.00 H new ATOM 0 HB3 ALA A 72 1.851 -3.888 -3.095 1.00 0.00 H new ATOM 1068 N LEU A 73 -0.440 -1.601 -3.866 1.00 0.00 N ATOM 1069 CA LEU A 73 -1.006 -0.412 -3.238 1.00 0.00 C ATOM 1070 C LEU A 73 -2.217 0.091 -4.017 1.00 0.00 C ATOM 1071 O LEU A 73 -3.245 0.435 -3.433 1.00 0.00 O ATOM 1072 CB LEU A 73 0.049 0.691 -3.144 1.00 0.00 C ATOM 1073 CG LEU A 73 -0.482 2.121 -3.043 1.00 0.00 C ATOM 1074 CD1 LEU A 73 -1.388 2.270 -1.831 1.00 0.00 C ATOM 1075 CD2 LEU A 73 0.669 3.114 -2.976 1.00 0.00 C ATOM 0 H LEU A 73 0.140 -1.410 -4.683 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.330 -0.682 -2.233 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.674 0.495 -2.273 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.694 0.625 -4.021 1.00 0.00 H new ATOM 0 HG LEU A 73 -1.068 2.334 -3.937 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.756 3.294 -1.776 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.232 1.586 -1.921 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.827 2.037 -0.926 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.272 4.127 -2.904 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.282 2.902 -2.100 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.278 3.026 -3.875 1.00 0.00 H new ATOM 1087 N ASP A 74 -2.088 0.130 -5.339 1.00 0.00 N ATOM 1088 CA ASP A 74 -3.173 0.588 -6.199 1.00 0.00 C ATOM 1089 C ASP A 74 -4.293 -0.446 -6.259 1.00 0.00 C ATOM 1090 O ASP A 74 -5.447 -0.113 -6.534 1.00 0.00 O ATOM 1091 CB ASP A 74 -2.650 0.873 -7.608 1.00 0.00 C ATOM 1092 CG ASP A 74 -3.449 1.950 -8.316 1.00 0.00 C ATOM 1093 OD1 ASP A 74 -3.174 3.145 -8.080 1.00 0.00 O ATOM 1094 OD2 ASP A 74 -4.350 1.597 -9.105 1.00 0.00 O ATOM 0 H ASP A 74 -1.243 -0.150 -5.838 1.00 0.00 H new ATOM 0 HA ASP A 74 -3.575 1.508 -5.775 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -1.605 1.179 -7.550 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.681 -0.044 -8.196 1.00 0.00 H new ATOM 1099 N LEU A 75 -3.946 -1.702 -6.001 1.00 0.00 N ATOM 1100 CA LEU A 75 -4.922 -2.786 -6.026 1.00 0.00 C ATOM 1101 C LEU A 75 -5.535 -2.999 -4.646 1.00 0.00 C ATOM 1102 O LEU A 75 -6.390 -3.866 -4.463 1.00 0.00 O ATOM 1103 CB LEU A 75 -4.263 -4.080 -6.509 1.00 0.00 C ATOM 1104 CG LEU A 75 -3.861 -4.119 -7.984 1.00 0.00 C ATOM 1105 CD1 LEU A 75 -3.087 -2.865 -8.359 1.00 0.00 C ATOM 1106 CD2 LEU A 75 -3.038 -5.364 -8.280 1.00 0.00 C ATOM 0 H LEU A 75 -2.996 -1.995 -5.772 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.718 -2.510 -6.718 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.373 -4.258 -5.906 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.948 -4.906 -6.318 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.768 -4.156 -8.587 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.809 -2.910 -9.412 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.710 -1.987 -8.185 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.186 -2.797 -7.749 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.761 -5.375 -9.334 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.136 -5.358 -7.668 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.627 -6.252 -8.050 1.00 0.00 H new ATOM 1118 N SER A 76 -5.094 -2.201 -3.679 1.00 0.00 N ATOM 1119 CA SER A 76 -5.599 -2.302 -2.315 1.00 0.00 C ATOM 1120 C SER A 76 -6.288 -1.008 -1.892 1.00 0.00 C ATOM 1121 O SER A 76 -7.255 -1.026 -1.131 1.00 0.00 O ATOM 1122 CB SER A 76 -4.457 -2.625 -1.349 1.00 0.00 C ATOM 1123 OG SER A 76 -3.552 -1.539 -1.249 1.00 0.00 O ATOM 0 H SER A 76 -4.388 -1.477 -3.815 1.00 0.00 H new ATOM 0 HA SER A 76 -6.331 -3.109 -2.284 1.00 0.00 H new ATOM 0 HB2 SER A 76 -4.864 -2.856 -0.364 1.00 0.00 H new ATOM 0 HB3 SER A 76 -3.927 -3.514 -1.691 1.00 0.00 H new ATOM 0 HG SER A 76 -3.547 -1.039 -2.092 1.00 0.00 H new ATOM 1129 N VAL A 77 -5.781 0.115 -2.392 1.00 0.00 N ATOM 1130 CA VAL A 77 -6.347 1.419 -2.068 1.00 0.00 C ATOM 1131 C VAL A 77 -7.862 1.417 -2.234 1.00 0.00 C ATOM 1132 O VAL A 77 -8.613 1.716 -1.305 1.00 0.00 O ATOM 1133 CB VAL A 77 -5.746 2.527 -2.954 1.00 0.00 C ATOM 1134 CG1 VAL A 77 -6.755 3.644 -3.169 1.00 0.00 C ATOM 1135 CG2 VAL A 77 -4.464 3.065 -2.336 1.00 0.00 C ATOM 0 H VAL A 77 -4.980 0.148 -3.023 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.099 1.622 -1.026 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.502 2.100 -3.926 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.313 4.418 -3.797 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.643 3.243 -3.658 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -7.033 4.073 -2.206 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.052 3.847 -2.974 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.680 3.478 -1.351 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.739 2.256 -2.240 1.00 0.00 H new ATOM 1145 N PRO A 78 -8.325 1.071 -3.445 1.00 0.00 N ATOM 1146 CA PRO A 78 -9.755 1.021 -3.761 1.00 0.00 C ATOM 1147 C PRO A 78 -10.465 -0.128 -3.053 1.00 0.00 C ATOM 1148 O PRO A 78 -11.659 -0.352 -3.256 1.00 0.00 O ATOM 1149 CB PRO A 78 -9.776 0.810 -5.277 1.00 0.00 C ATOM 1150 CG PRO A 78 -8.477 0.150 -5.586 1.00 0.00 C ATOM 1151 CD PRO A 78 -7.487 0.703 -4.598 1.00 0.00 C ATOM 0 HA PRO A 78 -10.276 1.921 -3.435 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -10.618 0.187 -5.578 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -9.875 1.757 -5.807 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -8.558 -0.933 -5.493 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -8.166 0.360 -6.609 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -6.734 -0.037 -4.327 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -6.956 1.566 -5.001 1.00 0.00 H new ATOM 1159 N LEU A 79 -9.724 -0.854 -2.224 1.00 0.00 N ATOM 1160 CA LEU A 79 -10.283 -1.981 -1.485 1.00 0.00 C ATOM 1161 C LEU A 79 -10.405 -1.652 0.000 1.00 0.00 C ATOM 1162 O LEU A 79 -10.655 -2.533 0.822 1.00 0.00 O ATOM 1163 CB LEU A 79 -9.411 -3.223 -1.674 1.00 0.00 C ATOM 1164 CG LEU A 79 -8.952 -3.509 -3.104 1.00 0.00 C ATOM 1165 CD1 LEU A 79 -8.409 -4.925 -3.217 1.00 0.00 C ATOM 1166 CD2 LEU A 79 -10.095 -3.295 -4.085 1.00 0.00 C ATOM 0 H LEU A 79 -8.734 -0.683 -2.046 1.00 0.00 H new ATOM 0 HA LEU A 79 -11.280 -2.182 -1.877 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -8.528 -3.122 -1.044 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -9.964 -4.089 -1.311 1.00 0.00 H new ATOM 0 HG LEU A 79 -8.151 -2.813 -3.353 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -8.087 -5.111 -4.242 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.561 -5.044 -2.543 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -9.189 -5.637 -2.947 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -9.749 -3.503 -5.098 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -10.918 -3.966 -3.837 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -10.438 -2.262 -4.024 1.00 0.00 H new ATOM 1178 N MET A 80 -10.229 -0.379 0.335 1.00 0.00 N ATOM 1179 CA MET A 80 -10.322 0.067 1.720 1.00 0.00 C ATOM 1180 C MET A 80 -11.022 1.419 1.811 1.00 0.00 C ATOM 1181 O MET A 80 -10.968 2.220 0.877 1.00 0.00 O ATOM 1182 CB MET A 80 -8.929 0.157 2.345 1.00 0.00 C ATOM 1183 CG MET A 80 -7.905 0.838 1.451 1.00 0.00 C ATOM 1184 SD MET A 80 -6.209 0.546 1.989 1.00 0.00 S ATOM 1185 CE MET A 80 -6.197 1.412 3.556 1.00 0.00 C ATOM 0 H MET A 80 -10.021 0.363 -0.334 1.00 0.00 H new ATOM 0 HA MET A 80 -10.912 -0.665 2.271 1.00 0.00 H new ATOM 0 HB2 MET A 80 -8.997 0.702 3.287 1.00 0.00 H new ATOM 0 HB3 MET A 80 -8.581 -0.848 2.583 1.00 0.00 H new ATOM 0 HG2 MET A 80 -8.025 0.479 0.429 1.00 0.00 H new ATOM 0 HG3 MET A 80 -8.098 1.911 1.436 1.00 0.00 H new ATOM 0 HE1 MET A 80 -5.229 1.893 3.698 1.00 0.00 H new ATOM 0 HE2 MET A 80 -6.982 2.168 3.560 1.00 0.00 H new ATOM 0 HE3 MET A 80 -6.372 0.703 4.365 1.00 0.00 H new ATOM 1195 N ASP A 81 -11.677 1.667 2.939 1.00 0.00 N ATOM 1196 CA ASP A 81 -12.387 2.924 3.151 1.00 0.00 C ATOM 1197 C ASP A 81 -11.427 4.020 3.602 1.00 0.00 C ATOM 1198 O ASP A 81 -10.443 3.753 4.293 1.00 0.00 O ATOM 1199 CB ASP A 81 -13.494 2.739 4.190 1.00 0.00 C ATOM 1200 CG ASP A 81 -14.274 1.456 3.983 1.00 0.00 C ATOM 1201 OD1 ASP A 81 -15.031 1.374 2.993 1.00 0.00 O ATOM 1202 OD2 ASP A 81 -14.126 0.533 4.811 1.00 0.00 O ATOM 0 H ASP A 81 -11.732 1.015 3.721 1.00 0.00 H new ATOM 0 HA ASP A 81 -12.835 3.225 2.204 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -13.055 2.737 5.188 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -14.177 3.587 4.144 1.00 0.00 H new ATOM 1207 N VAL A 82 -11.718 5.255 3.205 1.00 0.00 N ATOM 1208 CA VAL A 82 -10.882 6.392 3.568 1.00 0.00 C ATOM 1209 C VAL A 82 -10.834 6.579 5.081 1.00 0.00 C ATOM 1210 O VAL A 82 -11.825 6.964 5.700 1.00 0.00 O ATOM 1211 CB VAL A 82 -11.388 7.693 2.917 1.00 0.00 C ATOM 1212 CG1 VAL A 82 -12.828 7.967 3.322 1.00 0.00 C ATOM 1213 CG2 VAL A 82 -10.489 8.861 3.290 1.00 0.00 C ATOM 0 H VAL A 82 -12.527 5.493 2.631 1.00 0.00 H new ATOM 0 HA VAL A 82 -9.879 6.177 3.199 1.00 0.00 H new ATOM 0 HB VAL A 82 -11.357 7.573 1.834 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -13.169 8.890 2.853 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -13.461 7.140 2.998 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -12.888 8.067 4.406 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -10.862 9.771 2.821 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -10.485 8.986 4.373 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -9.474 8.664 2.944 1.00 0.00 H new ATOM 1223 N GLY A 83 -9.674 6.305 5.670 1.00 0.00 N ATOM 1224 CA GLY A 83 -9.519 6.449 7.105 1.00 0.00 C ATOM 1225 C GLY A 83 -9.249 5.127 7.795 1.00 0.00 C ATOM 1226 O GLY A 83 -9.304 5.037 9.021 1.00 0.00 O ATOM 0 H GLY A 83 -8.839 5.986 5.179 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -8.699 7.137 7.311 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -10.422 6.895 7.522 1.00 0.00 H new ATOM 1230 N GLU A 84 -8.957 4.098 7.006 1.00 0.00 N ATOM 1231 CA GLU A 84 -8.680 2.773 7.549 1.00 0.00 C ATOM 1232 C GLU A 84 -7.271 2.317 7.179 1.00 0.00 C ATOM 1233 O GLU A 84 -6.856 2.419 6.025 1.00 0.00 O ATOM 1234 CB GLU A 84 -9.706 1.762 7.035 1.00 0.00 C ATOM 1235 CG GLU A 84 -9.172 0.342 6.949 1.00 0.00 C ATOM 1236 CD GLU A 84 -10.186 -0.630 6.376 1.00 0.00 C ATOM 1237 OE1 GLU A 84 -11.283 -0.753 6.958 1.00 0.00 O ATOM 1238 OE2 GLU A 84 -9.880 -1.266 5.346 1.00 0.00 O ATOM 0 H GLU A 84 -8.906 4.156 5.989 1.00 0.00 H new ATOM 0 HA GLU A 84 -8.751 2.832 8.635 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -10.576 1.775 7.691 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -10.047 2.073 6.048 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.275 0.332 6.330 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -8.876 0.008 7.944 1.00 0.00 H new ATOM 1245 N THR A 85 -6.540 1.815 8.169 1.00 0.00 N ATOM 1246 CA THR A 85 -5.178 1.345 7.950 1.00 0.00 C ATOM 1247 C THR A 85 -5.159 -0.133 7.574 1.00 0.00 C ATOM 1248 O THR A 85 -5.605 -0.984 8.343 1.00 0.00 O ATOM 1249 CB THR A 85 -4.303 1.556 9.200 1.00 0.00 C ATOM 1250 OG1 THR A 85 -4.463 2.891 9.691 1.00 0.00 O ATOM 1251 CG2 THR A 85 -2.837 1.298 8.885 1.00 0.00 C ATOM 0 H THR A 85 -6.868 1.723 9.130 1.00 0.00 H new ATOM 0 HA THR A 85 -4.770 1.932 7.127 1.00 0.00 H new ATOM 0 HB THR A 85 -4.624 0.848 9.964 1.00 0.00 H new ATOM 0 HG1 THR A 85 -3.905 3.016 10.487 1.00 0.00 H new ATOM 0 HG21 THR A 85 -2.239 1.453 9.783 1.00 0.00 H new ATOM 0 HG22 THR A 85 -2.714 0.271 8.540 1.00 0.00 H new ATOM 0 HG23 THR A 85 -2.506 1.984 8.106 1.00 0.00 H new ATOM 1259 N ALA A 86 -4.641 -0.430 6.387 1.00 0.00 N ATOM 1260 CA ALA A 86 -4.562 -1.806 5.911 1.00 0.00 C ATOM 1261 C ALA A 86 -3.169 -2.123 5.377 1.00 0.00 C ATOM 1262 O ALA A 86 -2.571 -1.319 4.661 1.00 0.00 O ATOM 1263 CB ALA A 86 -5.611 -2.053 4.837 1.00 0.00 C ATOM 0 H ALA A 86 -4.270 0.263 5.737 1.00 0.00 H new ATOM 0 HA ALA A 86 -4.758 -2.469 6.754 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.541 -3.084 4.490 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.604 -1.876 5.251 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.441 -1.376 4.000 1.00 0.00 H new ATOM 1269 N MET A 87 -2.658 -3.298 5.729 1.00 0.00 N ATOM 1270 CA MET A 87 -1.336 -3.720 5.284 1.00 0.00 C ATOM 1271 C MET A 87 -1.442 -4.708 4.126 1.00 0.00 C ATOM 1272 O MET A 87 -2.415 -5.455 4.021 1.00 0.00 O ATOM 1273 CB MET A 87 -0.563 -4.355 6.442 1.00 0.00 C ATOM 1274 CG MET A 87 0.678 -5.114 6.000 1.00 0.00 C ATOM 1275 SD MET A 87 2.081 -4.027 5.683 1.00 0.00 S ATOM 1276 CE MET A 87 2.528 -3.555 7.352 1.00 0.00 C ATOM 0 H MET A 87 -3.140 -3.975 6.321 1.00 0.00 H new ATOM 0 HA MET A 87 -0.798 -2.838 4.938 1.00 0.00 H new ATOM 0 HB2 MET A 87 -0.271 -3.574 7.144 1.00 0.00 H new ATOM 0 HB3 MET A 87 -1.223 -5.036 6.979 1.00 0.00 H new ATOM 0 HG2 MET A 87 0.950 -5.837 6.769 1.00 0.00 H new ATOM 0 HG3 MET A 87 0.450 -5.680 5.097 1.00 0.00 H new ATOM 0 HE1 MET A 87 3.549 -3.174 7.361 1.00 0.00 H new ATOM 0 HE2 MET A 87 1.848 -2.780 7.705 1.00 0.00 H new ATOM 0 HE3 MET A 87 2.459 -4.424 8.007 1.00 0.00 H new ATOM 1286 N VAL A 88 -0.435 -4.706 3.258 1.00 0.00 N ATOM 1287 CA VAL A 88 -0.415 -5.602 2.109 1.00 0.00 C ATOM 1288 C VAL A 88 0.938 -6.292 1.973 1.00 0.00 C ATOM 1289 O VAL A 88 1.987 -5.662 2.114 1.00 0.00 O ATOM 1290 CB VAL A 88 -0.726 -4.847 0.803 1.00 0.00 C ATOM 1291 CG1 VAL A 88 -2.063 -4.129 0.908 1.00 0.00 C ATOM 1292 CG2 VAL A 88 0.390 -3.868 0.475 1.00 0.00 C ATOM 0 H VAL A 88 0.377 -4.093 3.329 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.187 -6.352 2.280 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.792 -5.571 -0.009 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.267 -3.601 -0.024 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -2.853 -4.857 1.093 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -2.029 -3.414 1.730 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.153 -3.343 -0.451 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.491 -3.146 1.286 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.327 -4.412 0.355 1.00 0.00 H new ATOM 1302 N THR A 89 0.908 -7.593 1.699 1.00 0.00 N ATOM 1303 CA THR A 89 2.132 -8.370 1.544 1.00 0.00 C ATOM 1304 C THR A 89 2.083 -9.228 0.286 1.00 0.00 C ATOM 1305 O THR A 89 1.458 -10.288 0.270 1.00 0.00 O ATOM 1306 CB THR A 89 2.377 -9.279 2.763 1.00 0.00 C ATOM 1307 OG1 THR A 89 1.203 -10.051 3.043 1.00 0.00 O ATOM 1308 CG2 THR A 89 2.751 -8.456 3.986 1.00 0.00 C ATOM 0 H THR A 89 0.049 -8.131 1.580 1.00 0.00 H new ATOM 0 HA THR A 89 2.952 -7.656 1.461 1.00 0.00 H new ATOM 0 HB THR A 89 3.205 -9.948 2.528 1.00 0.00 H new ATOM 0 HG1 THR A 89 0.820 -10.380 2.203 1.00 0.00 H new ATOM 0 HG21 THR A 89 2.919 -9.120 4.834 1.00 0.00 H new ATOM 0 HG22 THR A 89 3.661 -7.892 3.781 1.00 0.00 H new ATOM 0 HG23 THR A 89 1.941 -7.765 4.221 1.00 0.00 H new ATOM 1316 N ALA A 90 2.747 -8.764 -0.768 1.00 0.00 N ATOM 1317 CA ALA A 90 2.781 -9.491 -2.030 1.00 0.00 C ATOM 1318 C ALA A 90 4.216 -9.776 -2.461 1.00 0.00 C ATOM 1319 O ALA A 90 5.166 -9.268 -1.865 1.00 0.00 O ATOM 1320 CB ALA A 90 2.050 -8.708 -3.111 1.00 0.00 C ATOM 0 H ALA A 90 3.269 -7.887 -0.772 1.00 0.00 H new ATOM 0 HA ALA A 90 2.276 -10.446 -1.884 1.00 0.00 H new ATOM 0 HB1 ALA A 90 2.084 -9.263 -4.048 1.00 0.00 H new ATOM 0 HB2 ALA A 90 1.012 -8.560 -2.814 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.530 -7.739 -3.246 1.00 0.00 H new ATOM 1326 N ASP A 91 4.366 -10.593 -3.498 1.00 0.00 N ATOM 1327 CA ASP A 91 5.686 -10.946 -4.008 1.00 0.00 C ATOM 1328 C ASP A 91 6.305 -9.778 -4.769 1.00 0.00 C ATOM 1329 O ASP A 91 5.594 -8.937 -5.320 1.00 0.00 O ATOM 1330 CB ASP A 91 5.594 -12.172 -4.918 1.00 0.00 C ATOM 1331 CG ASP A 91 6.921 -12.515 -5.564 1.00 0.00 C ATOM 1332 OD1 ASP A 91 7.802 -13.052 -4.861 1.00 0.00 O ATOM 1333 OD2 ASP A 91 7.081 -12.244 -6.773 1.00 0.00 O ATOM 0 H ASP A 91 3.590 -11.023 -4.002 1.00 0.00 H new ATOM 0 HA ASP A 91 6.325 -11.182 -3.157 1.00 0.00 H new ATOM 0 HB2 ASP A 91 5.244 -13.026 -4.338 1.00 0.00 H new ATOM 0 HB3 ASP A 91 4.852 -11.989 -5.695 1.00 0.00 H new ATOM 1338 N SER A 92 7.633 -9.730 -4.794 1.00 0.00 N ATOM 1339 CA SER A 92 8.347 -8.662 -5.483 1.00 0.00 C ATOM 1340 C SER A 92 7.715 -8.374 -6.841 1.00 0.00 C ATOM 1341 O SER A 92 7.675 -7.229 -7.290 1.00 0.00 O ATOM 1342 CB SER A 92 9.820 -9.038 -5.662 1.00 0.00 C ATOM 1343 OG SER A 92 10.362 -8.435 -6.825 1.00 0.00 O ATOM 0 H SER A 92 8.236 -10.419 -4.345 1.00 0.00 H new ATOM 0 HA SER A 92 8.281 -7.761 -4.873 1.00 0.00 H new ATOM 0 HB2 SER A 92 10.388 -8.723 -4.787 1.00 0.00 H new ATOM 0 HB3 SER A 92 9.916 -10.122 -5.732 1.00 0.00 H new ATOM 0 HG SER A 92 10.161 -8.992 -7.606 1.00 0.00 H new ATOM 1349 N LYS A 93 7.223 -9.423 -7.492 1.00 0.00 N ATOM 1350 CA LYS A 93 6.591 -9.285 -8.798 1.00 0.00 C ATOM 1351 C LYS A 93 5.569 -8.153 -8.792 1.00 0.00 C ATOM 1352 O LYS A 93 5.488 -7.372 -9.740 1.00 0.00 O ATOM 1353 CB LYS A 93 5.912 -10.597 -9.200 1.00 0.00 C ATOM 1354 CG LYS A 93 4.589 -10.838 -8.494 1.00 0.00 C ATOM 1355 CD LYS A 93 3.870 -12.053 -9.056 1.00 0.00 C ATOM 1356 CE LYS A 93 4.583 -13.344 -8.685 1.00 0.00 C ATOM 1357 NZ LYS A 93 5.546 -13.769 -9.738 1.00 0.00 N ATOM 0 H LYS A 93 7.250 -10.378 -7.136 1.00 0.00 H new ATOM 0 HA LYS A 93 7.367 -9.046 -9.525 1.00 0.00 H new ATOM 0 HB2 LYS A 93 5.744 -10.595 -10.277 1.00 0.00 H new ATOM 0 HB3 LYS A 93 6.586 -11.426 -8.984 1.00 0.00 H new ATOM 0 HG2 LYS A 93 4.765 -10.979 -7.428 1.00 0.00 H new ATOM 0 HG3 LYS A 93 3.954 -9.958 -8.598 1.00 0.00 H new ATOM 0 HD2 LYS A 93 2.848 -12.079 -8.678 1.00 0.00 H new ATOM 0 HD3 LYS A 93 3.807 -11.970 -10.141 1.00 0.00 H new ATOM 0 HE2 LYS A 93 5.113 -13.208 -7.742 1.00 0.00 H new ATOM 0 HE3 LYS A 93 3.847 -14.132 -8.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 5.179 -14.612 -10.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 5.670 -12.999 -10.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 6.463 -13.993 -9.300 1.00 0.00 H new ATOM 1371 N TYR A 94 4.792 -8.069 -7.718 1.00 0.00 N ATOM 1372 CA TYR A 94 3.775 -7.033 -7.589 1.00 0.00 C ATOM 1373 C TYR A 94 4.378 -5.742 -7.045 1.00 0.00 C ATOM 1374 O TYR A 94 3.846 -4.653 -7.265 1.00 0.00 O ATOM 1375 CB TYR A 94 2.646 -7.507 -6.673 1.00 0.00 C ATOM 1376 CG TYR A 94 1.898 -8.709 -7.205 1.00 0.00 C ATOM 1377 CD1 TYR A 94 1.011 -8.585 -8.267 1.00 0.00 C ATOM 1378 CD2 TYR A 94 2.078 -9.968 -6.645 1.00 0.00 C ATOM 1379 CE1 TYR A 94 0.325 -9.679 -8.756 1.00 0.00 C ATOM 1380 CE2 TYR A 94 1.398 -11.068 -7.129 1.00 0.00 C ATOM 1381 CZ TYR A 94 0.522 -10.919 -8.184 1.00 0.00 C ATOM 1382 OH TYR A 94 -0.159 -12.013 -8.668 1.00 0.00 O ATOM 0 H TYR A 94 4.847 -8.707 -6.924 1.00 0.00 H new ATOM 0 HA TYR A 94 3.369 -6.834 -8.581 1.00 0.00 H new ATOM 0 HB2 TYR A 94 3.061 -7.752 -5.695 1.00 0.00 H new ATOM 0 HB3 TYR A 94 1.942 -6.688 -6.524 1.00 0.00 H new ATOM 0 HD1 TYR A 94 0.855 -7.616 -8.718 1.00 0.00 H new ATOM 0 HD2 TYR A 94 2.761 -10.088 -5.817 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -0.362 -9.565 -9.582 1.00 0.00 H new ATOM 0 HE2 TYR A 94 1.551 -12.040 -6.684 1.00 0.00 H new ATOM 0 HH TYR A 94 0.474 -12.738 -8.850 1.00 0.00 H new ATOM 1392 N CYS A 95 5.493 -5.871 -6.335 1.00 0.00 N ATOM 1393 CA CYS A 95 6.171 -4.716 -5.758 1.00 0.00 C ATOM 1394 C CYS A 95 6.902 -3.920 -6.835 1.00 0.00 C ATOM 1395 O CYS A 95 6.490 -2.817 -7.193 1.00 0.00 O ATOM 1396 CB CYS A 95 7.159 -5.164 -4.679 1.00 0.00 C ATOM 1397 SG CYS A 95 6.406 -6.113 -3.337 1.00 0.00 S ATOM 0 H CYS A 95 5.947 -6.764 -6.145 1.00 0.00 H new ATOM 0 HA CYS A 95 5.417 -4.072 -5.305 1.00 0.00 H new ATOM 0 HB2 CYS A 95 7.939 -5.768 -5.144 1.00 0.00 H new ATOM 0 HB3 CYS A 95 7.645 -4.284 -4.259 1.00 0.00 H new ATOM 0 HG CYS A 95 5.992 -7.257 -3.794 1.00 0.00 H new ATOM 1403 N TYR A 96 7.989 -4.487 -7.346 1.00 0.00 N ATOM 1404 CA TYR A 96 8.780 -3.829 -8.379 1.00 0.00 C ATOM 1405 C TYR A 96 8.944 -4.733 -9.598 1.00 0.00 C ATOM 1406 O TYR A 96 9.090 -4.257 -10.723 1.00 0.00 O ATOM 1407 CB TYR A 96 10.154 -3.441 -7.830 1.00 0.00 C ATOM 1408 CG TYR A 96 10.088 -2.542 -6.616 1.00 0.00 C ATOM 1409 CD1 TYR A 96 9.707 -3.042 -5.377 1.00 0.00 C ATOM 1410 CD2 TYR A 96 10.407 -1.193 -6.708 1.00 0.00 C ATOM 1411 CE1 TYR A 96 9.645 -2.224 -4.265 1.00 0.00 C ATOM 1412 CE2 TYR A 96 10.349 -0.368 -5.601 1.00 0.00 C ATOM 1413 CZ TYR A 96 9.967 -0.888 -4.382 1.00 0.00 C ATOM 1414 OH TYR A 96 9.907 -0.070 -3.277 1.00 0.00 O ATOM 0 H TYR A 96 8.342 -5.401 -7.062 1.00 0.00 H new ATOM 0 HA TYR A 96 8.251 -2.927 -8.686 1.00 0.00 H new ATOM 0 HB2 TYR A 96 10.702 -4.347 -7.572 1.00 0.00 H new ATOM 0 HB3 TYR A 96 10.721 -2.938 -8.614 1.00 0.00 H new ATOM 0 HD1 TYR A 96 9.455 -4.088 -5.281 1.00 0.00 H new ATOM 0 HD2 TYR A 96 10.705 -0.782 -7.661 1.00 0.00 H new ATOM 0 HE1 TYR A 96 9.346 -2.629 -3.309 1.00 0.00 H new ATOM 0 HE2 TYR A 96 10.601 0.678 -5.690 1.00 0.00 H new ATOM 0 HH TYR A 96 9.451 0.765 -3.513 1.00 0.00 H new ATOM 1424 N GLY A 97 8.919 -6.042 -9.363 1.00 0.00 N ATOM 1425 CA GLY A 97 9.066 -6.992 -10.450 1.00 0.00 C ATOM 1426 C GLY A 97 10.184 -7.987 -10.203 1.00 0.00 C ATOM 1427 O GLY A 97 11.024 -7.803 -9.322 1.00 0.00 O ATOM 0 H GLY A 97 8.800 -6.461 -8.440 1.00 0.00 H new ATOM 0 HA2 GLY A 97 8.128 -7.530 -10.587 1.00 0.00 H new ATOM 0 HA3 GLY A 97 9.262 -6.452 -11.376 1.00 0.00 H new ATOM 1431 N PRO A 98 10.202 -9.070 -10.994 1.00 0.00 N ATOM 1432 CA PRO A 98 11.219 -10.119 -10.875 1.00 0.00 C ATOM 1433 C PRO A 98 12.596 -9.645 -11.327 1.00 0.00 C ATOM 1434 O PRO A 98 13.561 -10.410 -11.313 1.00 0.00 O ATOM 1435 CB PRO A 98 10.702 -11.221 -11.804 1.00 0.00 C ATOM 1436 CG PRO A 98 9.853 -10.509 -12.800 1.00 0.00 C ATOM 1437 CD PRO A 98 9.232 -9.354 -12.065 1.00 0.00 C ATOM 0 HA PRO A 98 11.354 -10.441 -9.842 1.00 0.00 H new ATOM 0 HB2 PRO A 98 11.524 -11.748 -12.289 1.00 0.00 H new ATOM 0 HB3 PRO A 98 10.127 -11.965 -11.253 1.00 0.00 H new ATOM 0 HG2 PRO A 98 10.450 -10.160 -13.643 1.00 0.00 H new ATOM 0 HG3 PRO A 98 9.087 -11.171 -13.204 1.00 0.00 H new ATOM 0 HD2 PRO A 98 9.090 -8.492 -12.717 1.00 0.00 H new ATOM 0 HD3 PRO A 98 8.253 -9.614 -11.662 1.00 0.00 H new ATOM 1445 N GLN A 99 12.680 -8.380 -11.725 1.00 0.00 N ATOM 1446 CA GLN A 99 13.941 -7.805 -12.181 1.00 0.00 C ATOM 1447 C GLN A 99 14.590 -6.974 -11.080 1.00 0.00 C ATOM 1448 O GLN A 99 15.813 -6.929 -10.961 1.00 0.00 O ATOM 1449 CB GLN A 99 13.712 -6.940 -13.422 1.00 0.00 C ATOM 1450 CG GLN A 99 12.844 -7.607 -14.477 1.00 0.00 C ATOM 1451 CD GLN A 99 13.159 -7.128 -15.880 1.00 0.00 C ATOM 1452 OE1 GLN A 99 14.322 -6.936 -16.237 1.00 0.00 O ATOM 1453 NE2 GLN A 99 12.122 -6.931 -16.686 1.00 0.00 N ATOM 0 H GLN A 99 11.891 -7.734 -11.741 1.00 0.00 H new ATOM 0 HA GLN A 99 14.613 -8.624 -12.437 1.00 0.00 H new ATOM 0 HB2 GLN A 99 13.246 -6.002 -13.120 1.00 0.00 H new ATOM 0 HB3 GLN A 99 14.677 -6.689 -13.863 1.00 0.00 H new ATOM 0 HG2 GLN A 99 12.983 -8.687 -14.426 1.00 0.00 H new ATOM 0 HG3 GLN A 99 11.795 -7.410 -14.257 1.00 0.00 H new ATOM 0 HE21 GLN A 99 11.175 -7.102 -16.349 1.00 0.00 H new ATOM 0 HE22 GLN A 99 12.273 -6.608 -17.642 1.00 0.00 H new ATOM 1462 N GLY A 100 13.760 -6.315 -10.276 1.00 0.00 N ATOM 1463 CA GLY A 100 14.272 -5.493 -9.195 1.00 0.00 C ATOM 1464 C GLY A 100 14.004 -4.017 -9.411 1.00 0.00 C ATOM 1465 O GLY A 100 13.308 -3.637 -10.354 1.00 0.00 O ATOM 0 H GLY A 100 12.743 -6.336 -10.354 1.00 0.00 H new ATOM 0 HA2 GLY A 100 13.816 -5.808 -8.256 1.00 0.00 H new ATOM 0 HA3 GLY A 100 15.346 -5.654 -9.098 1.00 0.00 H new ATOM 1529 N TYR A 105 17.067 0.522 -4.772 1.00 0.00 N ATOM 1530 CA TYR A 105 17.144 -0.770 -5.444 1.00 0.00 C ATOM 1531 C TYR A 105 16.552 -1.873 -4.572 1.00 0.00 C ATOM 1532 O TYR A 105 16.565 -1.783 -3.344 1.00 0.00 O ATOM 1533 CB TYR A 105 18.596 -1.102 -5.790 1.00 0.00 C ATOM 1534 CG TYR A 105 18.794 -2.519 -6.279 1.00 0.00 C ATOM 1535 CD1 TYR A 105 18.760 -3.590 -5.395 1.00 0.00 C ATOM 1536 CD2 TYR A 105 19.015 -2.786 -7.624 1.00 0.00 C ATOM 1537 CE1 TYR A 105 18.940 -4.887 -5.837 1.00 0.00 C ATOM 1538 CE2 TYR A 105 19.195 -4.079 -8.075 1.00 0.00 C ATOM 1539 CZ TYR A 105 19.157 -5.126 -7.178 1.00 0.00 C ATOM 1540 OH TYR A 105 19.337 -6.416 -7.623 1.00 0.00 O ATOM 0 HA TYR A 105 16.563 -0.708 -6.364 1.00 0.00 H new ATOM 0 HB2 TYR A 105 18.945 -0.410 -6.556 1.00 0.00 H new ATOM 0 HB3 TYR A 105 19.217 -0.941 -4.909 1.00 0.00 H new ATOM 0 HD1 TYR A 105 18.590 -3.406 -4.344 1.00 0.00 H new ATOM 0 HD2 TYR A 105 19.047 -1.969 -8.329 1.00 0.00 H new ATOM 0 HE1 TYR A 105 18.911 -5.709 -5.137 1.00 0.00 H new ATOM 0 HE2 TYR A 105 19.365 -4.269 -9.125 1.00 0.00 H new ATOM 0 HH TYR A 105 19.477 -6.411 -8.593 1.00 0.00 H new ATOM 1550 N ILE A 106 16.036 -2.914 -5.217 1.00 0.00 N ATOM 1551 CA ILE A 106 15.441 -4.036 -4.501 1.00 0.00 C ATOM 1552 C ILE A 106 15.679 -5.348 -5.241 1.00 0.00 C ATOM 1553 O ILE A 106 15.620 -5.416 -6.469 1.00 0.00 O ATOM 1554 CB ILE A 106 13.926 -3.839 -4.304 1.00 0.00 C ATOM 1555 CG1 ILE A 106 13.166 -4.269 -5.560 1.00 0.00 C ATOM 1556 CG2 ILE A 106 13.621 -2.388 -3.964 1.00 0.00 C ATOM 1557 CD1 ILE A 106 12.889 -5.755 -5.620 1.00 0.00 C ATOM 0 H ILE A 106 16.018 -3.004 -6.233 1.00 0.00 H new ATOM 0 HA ILE A 106 15.924 -4.079 -3.525 1.00 0.00 H new ATOM 0 HB ILE A 106 13.598 -4.463 -3.473 1.00 0.00 H new ATOM 0 HG12 ILE A 106 12.220 -3.729 -5.605 1.00 0.00 H new ATOM 0 HG13 ILE A 106 13.741 -3.979 -6.440 1.00 0.00 H new ATOM 0 HG21 ILE A 106 12.547 -2.264 -3.828 1.00 0.00 H new ATOM 0 HG22 ILE A 106 14.137 -2.114 -3.044 1.00 0.00 H new ATOM 0 HG23 ILE A 106 13.960 -1.745 -4.776 1.00 0.00 H new ATOM 0 HD11 ILE A 106 12.347 -5.987 -6.537 1.00 0.00 H new ATOM 0 HD12 ILE A 106 13.832 -6.302 -5.607 1.00 0.00 H new ATOM 0 HD13 ILE A 106 12.288 -6.048 -4.759 1.00 0.00 H new ATOM 1569 N PRO A 107 15.953 -6.417 -4.478 1.00 0.00 N ATOM 1570 CA PRO A 107 16.203 -7.747 -5.040 1.00 0.00 C ATOM 1571 C PRO A 107 14.945 -8.372 -5.634 1.00 0.00 C ATOM 1572 O PRO A 107 13.830 -8.146 -5.164 1.00 0.00 O ATOM 1573 CB PRO A 107 16.684 -8.557 -3.833 1.00 0.00 C ATOM 1574 CG PRO A 107 16.089 -7.869 -2.654 1.00 0.00 C ATOM 1575 CD PRO A 107 16.039 -6.408 -3.008 1.00 0.00 C ATOM 0 HA PRO A 107 16.919 -7.714 -5.862 1.00 0.00 H new ATOM 0 HB2 PRO A 107 16.353 -9.594 -3.895 1.00 0.00 H new ATOM 0 HB3 PRO A 107 17.772 -8.572 -3.775 1.00 0.00 H new ATOM 0 HG2 PRO A 107 15.091 -8.253 -2.441 1.00 0.00 H new ATOM 0 HG3 PRO A 107 16.692 -8.034 -1.761 1.00 0.00 H new ATOM 0 HD2 PRO A 107 15.178 -5.915 -2.558 1.00 0.00 H new ATOM 0 HD3 PRO A 107 16.927 -5.880 -2.660 1.00 0.00 H new ATOM 1583 N PRO A 108 15.126 -9.176 -6.692 1.00 0.00 N ATOM 1584 CA PRO A 108 14.016 -9.851 -7.372 1.00 0.00 C ATOM 1585 C PRO A 108 13.395 -10.950 -6.518 1.00 0.00 C ATOM 1586 O PRO A 108 14.015 -11.442 -5.574 1.00 0.00 O ATOM 1587 CB PRO A 108 14.675 -10.449 -8.618 1.00 0.00 C ATOM 1588 CG PRO A 108 16.107 -10.620 -8.244 1.00 0.00 C ATOM 1589 CD PRO A 108 16.427 -9.490 -7.305 1.00 0.00 C ATOM 0 HA PRO A 108 13.197 -9.167 -7.593 1.00 0.00 H new ATOM 0 HB2 PRO A 108 14.220 -11.402 -8.888 1.00 0.00 H new ATOM 0 HB3 PRO A 108 14.567 -9.789 -9.479 1.00 0.00 H new ATOM 0 HG2 PRO A 108 16.273 -11.585 -7.764 1.00 0.00 H new ATOM 0 HG3 PRO A 108 16.747 -10.588 -9.126 1.00 0.00 H new ATOM 0 HD2 PRO A 108 17.163 -9.785 -6.557 1.00 0.00 H new ATOM 0 HD3 PRO A 108 16.839 -8.631 -7.835 1.00 0.00 H new ATOM 1597 N HIS A 109 12.168 -11.333 -6.855 1.00 0.00 N ATOM 1598 CA HIS A 109 11.463 -12.377 -6.119 1.00 0.00 C ATOM 1599 C HIS A 109 11.642 -12.195 -4.615 1.00 0.00 C ATOM 1600 O HIS A 109 11.706 -13.170 -3.866 1.00 0.00 O ATOM 1601 CB HIS A 109 11.967 -13.757 -6.542 1.00 0.00 C ATOM 1602 CG HIS A 109 11.956 -13.971 -8.024 1.00 0.00 C ATOM 1603 ND1 HIS A 109 12.931 -14.384 -8.866 1.00 0.00 N flip ATOM 1604 CD2 HIS A 109 10.842 -13.753 -8.807 1.00 0.00 C flip ATOM 1605 CE1 HIS A 109 12.395 -14.409 -10.130 1.00 0.00 C flip ATOM 1606 NE2 HIS A 109 11.133 -14.024 -10.067 1.00 0.00 N flip ATOM 0 H HIS A 109 11.641 -10.936 -7.633 1.00 0.00 H new ATOM 0 HA HIS A 109 10.401 -12.300 -6.353 1.00 0.00 H new ATOM 0 HB2 HIS A 109 12.983 -13.893 -6.171 1.00 0.00 H new ATOM 0 HB3 HIS A 109 11.350 -14.521 -6.068 1.00 0.00 H new ATOM 0 HD1 HIS A 109 13.887 -14.631 -8.610 1.00 0.00 H new ATOM 0 HD2 HIS A 109 9.882 -13.414 -8.447 1.00 0.00 H new ATOM 0 HE1 HIS A 109 12.920 -14.697 -11.029 1.00 0.00 H new ATOM 1615 N ALA A 110 11.722 -10.942 -4.180 1.00 0.00 N ATOM 1616 CA ALA A 110 11.892 -10.634 -2.766 1.00 0.00 C ATOM 1617 C ALA A 110 10.683 -9.882 -2.218 1.00 0.00 C ATOM 1618 O ALA A 110 10.559 -8.671 -2.400 1.00 0.00 O ATOM 1619 CB ALA A 110 13.161 -9.823 -2.551 1.00 0.00 C ATOM 0 H ALA A 110 11.672 -10.124 -4.787 1.00 0.00 H new ATOM 0 HA ALA A 110 11.979 -11.575 -2.223 1.00 0.00 H new ATOM 0 HB1 ALA A 110 13.275 -9.600 -1.490 1.00 0.00 H new ATOM 0 HB2 ALA A 110 14.022 -10.396 -2.896 1.00 0.00 H new ATOM 0 HB3 ALA A 110 13.097 -8.891 -3.113 1.00 0.00 H new ATOM 1625 N ALA A 111 9.794 -10.608 -1.548 1.00 0.00 N ATOM 1626 CA ALA A 111 8.596 -10.010 -0.974 1.00 0.00 C ATOM 1627 C ALA A 111 8.940 -8.768 -0.158 1.00 0.00 C ATOM 1628 O ALA A 111 10.069 -8.613 0.310 1.00 0.00 O ATOM 1629 CB ALA A 111 7.861 -11.024 -0.110 1.00 0.00 C ATOM 0 H ALA A 111 9.881 -11.612 -1.390 1.00 0.00 H new ATOM 0 HA ALA A 111 7.944 -9.707 -1.793 1.00 0.00 H new ATOM 0 HB1 ALA A 111 6.968 -10.563 0.312 1.00 0.00 H new ATOM 0 HB2 ALA A 111 7.573 -11.881 -0.719 1.00 0.00 H new ATOM 0 HB3 ALA A 111 8.514 -11.356 0.697 1.00 0.00 H new ATOM 1635 N LEU A 112 7.961 -7.885 0.008 1.00 0.00 N ATOM 1636 CA LEU A 112 8.160 -6.656 0.767 1.00 0.00 C ATOM 1637 C LEU A 112 6.869 -6.226 1.457 1.00 0.00 C ATOM 1638 O LEU A 112 5.803 -6.204 0.841 1.00 0.00 O ATOM 1639 CB LEU A 112 8.656 -5.539 -0.154 1.00 0.00 C ATOM 1640 CG LEU A 112 9.919 -5.844 -0.959 1.00 0.00 C ATOM 1641 CD1 LEU A 112 9.906 -5.091 -2.280 1.00 0.00 C ATOM 1642 CD2 LEU A 112 11.162 -5.493 -0.154 1.00 0.00 C ATOM 0 H LEU A 112 7.022 -7.998 -0.373 1.00 0.00 H new ATOM 0 HA LEU A 112 8.912 -6.849 1.532 1.00 0.00 H new ATOM 0 HB2 LEU A 112 7.857 -5.289 -0.851 1.00 0.00 H new ATOM 0 HB3 LEU A 112 8.841 -4.652 0.451 1.00 0.00 H new ATOM 0 HG LEU A 112 9.940 -6.912 -1.175 1.00 0.00 H new ATOM 0 HD11 LEU A 112 10.813 -5.321 -2.839 1.00 0.00 H new ATOM 0 HD12 LEU A 112 9.035 -5.392 -2.862 1.00 0.00 H new ATOM 0 HD13 LEU A 112 9.860 -4.019 -2.087 1.00 0.00 H new ATOM 0 HD21 LEU A 112 12.052 -5.717 -0.743 1.00 0.00 H new ATOM 0 HD22 LEU A 112 11.148 -4.431 0.093 1.00 0.00 H new ATOM 0 HD23 LEU A 112 11.178 -6.079 0.765 1.00 0.00 H new ATOM 1654 N CYS A 113 6.973 -5.885 2.736 1.00 0.00 N ATOM 1655 CA CYS A 113 5.814 -5.454 3.509 1.00 0.00 C ATOM 1656 C CYS A 113 5.493 -3.988 3.237 1.00 0.00 C ATOM 1657 O CYS A 113 6.355 -3.118 3.365 1.00 0.00 O ATOM 1658 CB CYS A 113 6.065 -5.665 5.003 1.00 0.00 C ATOM 1659 SG CYS A 113 4.571 -6.016 5.960 1.00 0.00 S ATOM 0 H CYS A 113 7.848 -5.899 3.260 1.00 0.00 H new ATOM 0 HA CYS A 113 4.959 -6.057 3.202 1.00 0.00 H new ATOM 0 HB2 CYS A 113 6.767 -6.489 5.130 1.00 0.00 H new ATOM 0 HB3 CYS A 113 6.543 -4.774 5.410 1.00 0.00 H new ATOM 0 HG CYS A 113 3.700 -5.070 5.768 1.00 0.00 H new ATOM 1665 N LEU A 114 4.247 -3.721 2.860 1.00 0.00 N ATOM 1666 CA LEU A 114 3.812 -2.360 2.567 1.00 0.00 C ATOM 1667 C LEU A 114 2.581 -1.994 3.390 1.00 0.00 C ATOM 1668 O LEU A 114 1.545 -2.651 3.301 1.00 0.00 O ATOM 1669 CB LEU A 114 3.505 -2.211 1.076 1.00 0.00 C ATOM 1670 CG LEU A 114 4.535 -2.807 0.116 1.00 0.00 C ATOM 1671 CD1 LEU A 114 4.092 -2.619 -1.326 1.00 0.00 C ATOM 1672 CD2 LEU A 114 5.902 -2.176 0.342 1.00 0.00 C ATOM 0 H LEU A 114 3.521 -4.429 2.750 1.00 0.00 H new ATOM 0 HA LEU A 114 4.621 -1.680 2.834 1.00 0.00 H new ATOM 0 HB2 LEU A 114 2.540 -2.676 0.876 1.00 0.00 H new ATOM 0 HB3 LEU A 114 3.400 -1.150 0.851 1.00 0.00 H new ATOM 0 HG LEU A 114 4.612 -3.876 0.314 1.00 0.00 H new ATOM 0 HD11 LEU A 114 4.837 -3.049 -1.995 1.00 0.00 H new ATOM 0 HD12 LEU A 114 3.135 -3.117 -1.481 1.00 0.00 H new ATOM 0 HD13 LEU A 114 3.985 -1.555 -1.538 1.00 0.00 H new ATOM 0 HD21 LEU A 114 6.623 -2.612 -0.350 1.00 0.00 H new ATOM 0 HD22 LEU A 114 5.839 -1.101 0.171 1.00 0.00 H new ATOM 0 HD23 LEU A 114 6.224 -2.362 1.367 1.00 0.00 H new ATOM 1684 N GLU A 115 2.703 -0.939 4.190 1.00 0.00 N ATOM 1685 CA GLU A 115 1.599 -0.485 5.028 1.00 0.00 C ATOM 1686 C GLU A 115 0.822 0.636 4.343 1.00 0.00 C ATOM 1687 O GLU A 115 1.302 1.764 4.236 1.00 0.00 O ATOM 1688 CB GLU A 115 2.122 -0.003 6.383 1.00 0.00 C ATOM 1689 CG GLU A 115 1.039 0.135 7.439 1.00 0.00 C ATOM 1690 CD GLU A 115 1.560 0.724 8.736 1.00 0.00 C ATOM 1691 OE1 GLU A 115 2.384 0.059 9.399 1.00 0.00 O ATOM 1692 OE2 GLU A 115 1.145 1.847 9.088 1.00 0.00 O ATOM 0 H GLU A 115 3.554 -0.383 4.275 1.00 0.00 H new ATOM 0 HA GLU A 115 0.926 -1.328 5.185 1.00 0.00 H new ATOM 0 HB2 GLU A 115 2.879 -0.701 6.740 1.00 0.00 H new ATOM 0 HB3 GLU A 115 2.614 0.961 6.251 1.00 0.00 H new ATOM 0 HG2 GLU A 115 0.239 0.767 7.053 1.00 0.00 H new ATOM 0 HG3 GLU A 115 0.604 -0.844 7.638 1.00 0.00 H new ATOM 1699 N VAL A 116 -0.383 0.316 3.880 1.00 0.00 N ATOM 1700 CA VAL A 116 -1.228 1.294 3.206 1.00 0.00 C ATOM 1701 C VAL A 116 -2.127 2.021 4.200 1.00 0.00 C ATOM 1702 O VAL A 116 -2.730 1.402 5.078 1.00 0.00 O ATOM 1703 CB VAL A 116 -2.104 0.631 2.128 1.00 0.00 C ATOM 1704 CG1 VAL A 116 -2.718 1.683 1.217 1.00 0.00 C ATOM 1705 CG2 VAL A 116 -1.291 -0.373 1.324 1.00 0.00 C ATOM 0 H VAL A 116 -0.795 -0.613 3.960 1.00 0.00 H new ATOM 0 HA VAL A 116 -0.562 2.013 2.730 1.00 0.00 H new ATOM 0 HB VAL A 116 -2.914 0.095 2.622 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -3.334 1.195 0.461 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -3.336 2.360 1.807 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -1.925 2.249 0.729 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -1.926 -0.832 0.566 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -0.459 0.138 0.839 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -0.905 -1.145 1.990 1.00 0.00 H new ATOM 1715 N THR A 117 -2.214 3.340 4.057 1.00 0.00 N ATOM 1716 CA THR A 117 -3.039 4.152 4.941 1.00 0.00 C ATOM 1717 C THR A 117 -3.774 5.238 4.164 1.00 0.00 C ATOM 1718 O THR A 117 -3.175 6.230 3.745 1.00 0.00 O ATOM 1719 CB THR A 117 -2.195 4.811 6.049 1.00 0.00 C ATOM 1720 OG1 THR A 117 -1.289 3.854 6.609 1.00 0.00 O ATOM 1721 CG2 THR A 117 -3.086 5.376 7.145 1.00 0.00 C ATOM 0 H THR A 117 -1.722 3.868 3.336 1.00 0.00 H new ATOM 0 HA THR A 117 -3.766 3.481 5.399 1.00 0.00 H new ATOM 0 HB THR A 117 -1.629 5.630 5.605 1.00 0.00 H new ATOM 0 HG1 THR A 117 -0.755 4.281 7.311 1.00 0.00 H new ATOM 0 HG21 THR A 117 -2.468 5.836 7.916 1.00 0.00 H new ATOM 0 HG22 THR A 117 -3.754 6.125 6.721 1.00 0.00 H new ATOM 0 HG23 THR A 117 -3.676 4.572 7.585 1.00 0.00 H new ATOM 1729 N LEU A 118 -5.075 5.047 3.975 1.00 0.00 N ATOM 1730 CA LEU A 118 -5.893 6.011 3.249 1.00 0.00 C ATOM 1731 C LEU A 118 -6.190 7.233 4.112 1.00 0.00 C ATOM 1732 O LEU A 118 -7.003 7.173 5.035 1.00 0.00 O ATOM 1733 CB LEU A 118 -7.202 5.362 2.797 1.00 0.00 C ATOM 1734 CG LEU A 118 -7.839 5.943 1.534 1.00 0.00 C ATOM 1735 CD1 LEU A 118 -8.322 7.363 1.785 1.00 0.00 C ATOM 1736 CD2 LEU A 118 -6.853 5.910 0.376 1.00 0.00 C ATOM 0 H LEU A 118 -5.586 4.232 4.315 1.00 0.00 H new ATOM 0 HA LEU A 118 -5.334 6.336 2.372 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -7.020 4.300 2.632 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -7.922 5.439 3.611 1.00 0.00 H new ATOM 0 HG LEU A 118 -8.700 5.330 1.269 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -8.772 7.760 0.875 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -9.062 7.359 2.585 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -7.478 7.989 2.075 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -7.323 6.327 -0.514 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -5.972 6.499 0.631 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -6.556 4.880 0.180 1.00 0.00 H new ATOM 1748 N LYS A 119 -5.527 8.343 3.805 1.00 0.00 N ATOM 1749 CA LYS A 119 -5.722 9.582 4.550 1.00 0.00 C ATOM 1750 C LYS A 119 -6.810 10.437 3.909 1.00 0.00 C ATOM 1751 O LYS A 119 -7.837 10.720 4.527 1.00 0.00 O ATOM 1752 CB LYS A 119 -4.412 10.371 4.617 1.00 0.00 C ATOM 1753 CG LYS A 119 -3.174 9.493 4.654 1.00 0.00 C ATOM 1754 CD LYS A 119 -3.262 8.449 5.755 1.00 0.00 C ATOM 1755 CE LYS A 119 -2.659 8.959 7.055 1.00 0.00 C ATOM 1756 NZ LYS A 119 -3.333 8.372 8.247 1.00 0.00 N ATOM 0 H LYS A 119 -4.850 8.410 3.045 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.037 9.324 5.561 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -4.352 11.033 3.753 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -4.424 11.005 5.504 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -3.049 8.998 3.691 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -2.292 10.114 4.810 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -4.305 8.178 5.918 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -2.742 7.544 5.442 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -1.597 8.716 7.082 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -2.739 10.045 7.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -3.671 9.136 8.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -4.140 7.793 7.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -2.659 7.777 8.769 1.00 0.00 H new ATOM 1770 N THR A 120 -6.580 10.844 2.664 1.00 0.00 N ATOM 1771 CA THR A 120 -7.541 11.666 1.940 1.00 0.00 C ATOM 1772 C THR A 120 -7.592 11.283 0.465 1.00 0.00 C ATOM 1773 O THR A 120 -6.607 10.801 -0.094 1.00 0.00 O ATOM 1774 CB THR A 120 -7.201 13.164 2.058 1.00 0.00 C ATOM 1775 OG1 THR A 120 -5.889 13.411 1.540 1.00 0.00 O ATOM 1776 CG2 THR A 120 -7.275 13.623 3.506 1.00 0.00 C ATOM 0 H THR A 120 -5.737 10.618 2.137 1.00 0.00 H new ATOM 0 HA THR A 120 -8.516 11.485 2.393 1.00 0.00 H new ATOM 0 HB THR A 120 -7.932 13.727 1.477 1.00 0.00 H new ATOM 0 HG1 THR A 120 -5.681 14.366 1.617 1.00 0.00 H new ATOM 0 HG21 THR A 120 -7.031 14.684 3.564 1.00 0.00 H new ATOM 0 HG22 THR A 120 -8.283 13.461 3.888 1.00 0.00 H new ATOM 0 HG23 THR A 120 -6.564 13.054 4.105 1.00 0.00 H new ATOM 1784 N ALA A 121 -8.744 11.501 -0.159 1.00 0.00 N ATOM 1785 CA ALA A 121 -8.921 11.180 -1.570 1.00 0.00 C ATOM 1786 C ALA A 121 -9.794 12.221 -2.264 1.00 0.00 C ATOM 1787 O ALA A 121 -11.006 12.266 -2.058 1.00 0.00 O ATOM 1788 CB ALA A 121 -9.527 9.793 -1.724 1.00 0.00 C ATOM 0 H ALA A 121 -9.569 11.899 0.290 1.00 0.00 H new ATOM 0 HA ALA A 121 -7.940 11.191 -2.046 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -9.654 9.567 -2.783 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -8.865 9.054 -1.272 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -10.497 9.763 -1.228 1.00 0.00 H new ATOM 1794 N VAL A 122 -9.169 13.056 -3.088 1.00 0.00 N ATOM 1795 CA VAL A 122 -9.888 14.097 -3.813 1.00 0.00 C ATOM 1796 C VAL A 122 -9.448 14.155 -5.271 1.00 0.00 C ATOM 1797 O VAL A 122 -8.590 13.385 -5.702 1.00 0.00 O ATOM 1798 CB VAL A 122 -9.676 15.479 -3.168 1.00 0.00 C ATOM 1799 CG1 VAL A 122 -10.207 15.491 -1.742 1.00 0.00 C ATOM 1800 CG2 VAL A 122 -8.204 15.862 -3.201 1.00 0.00 C ATOM 0 H VAL A 122 -8.166 13.032 -3.270 1.00 0.00 H new ATOM 0 HA VAL A 122 -10.947 13.842 -3.766 1.00 0.00 H new ATOM 0 HB VAL A 122 -10.233 16.218 -3.743 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -10.048 16.476 -1.303 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -11.273 15.264 -1.749 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -9.681 14.741 -1.151 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -8.072 16.841 -2.741 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -7.623 15.122 -2.651 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -7.860 15.898 -4.235 1.00 0.00 H new ATOM 1810 N ASP A 123 -10.041 15.073 -6.026 1.00 0.00 N ATOM 1811 CA ASP A 123 -9.709 15.234 -7.437 1.00 0.00 C ATOM 1812 C ASP A 123 -8.570 16.232 -7.617 1.00 0.00 C ATOM 1813 O ASP A 123 -7.734 16.081 -8.507 1.00 0.00 O ATOM 1814 CB ASP A 123 -10.937 15.696 -8.222 1.00 0.00 C ATOM 1815 CG ASP A 123 -10.857 15.330 -9.691 1.00 0.00 C ATOM 1816 OD1 ASP A 123 -9.787 15.542 -10.298 1.00 0.00 O ATOM 1817 OD2 ASP A 123 -11.865 14.829 -10.233 1.00 0.00 O ATOM 0 H ASP A 123 -10.754 15.717 -5.685 1.00 0.00 H new ATOM 0 HA ASP A 123 -9.384 14.267 -7.821 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -11.831 15.249 -7.788 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -11.041 16.777 -8.125 1.00 0.00 H new ATOM 1822 N ARG A 124 -8.544 17.253 -6.766 1.00 0.00 N ATOM 1823 CA ARG A 124 -7.509 18.277 -6.832 1.00 0.00 C ATOM 1824 C ARG A 124 -6.209 17.777 -6.208 1.00 0.00 C ATOM 1825 O ARG A 124 -6.205 16.930 -5.315 1.00 0.00 O ATOM 1826 CB ARG A 124 -7.973 19.549 -6.120 1.00 0.00 C ATOM 1827 CG ARG A 124 -7.653 19.566 -4.634 1.00 0.00 C ATOM 1828 CD ARG A 124 -7.987 20.910 -4.007 1.00 0.00 C ATOM 1829 NE ARG A 124 -9.400 21.248 -4.158 1.00 0.00 N ATOM 1830 CZ ARG A 124 -10.374 20.658 -3.474 1.00 0.00 C ATOM 1831 NH1 ARG A 124 -10.089 19.705 -2.596 1.00 0.00 N ATOM 1832 NH2 ARG A 124 -11.636 21.020 -3.666 1.00 0.00 N ATOM 0 H ARG A 124 -9.228 17.393 -6.023 1.00 0.00 H new ATOM 0 HA ARG A 124 -7.324 18.504 -7.882 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -7.505 20.412 -6.594 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -9.049 19.657 -6.253 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -8.215 18.779 -4.131 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -6.595 19.347 -4.486 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -7.730 20.890 -2.948 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -7.377 21.687 -4.468 1.00 0.00 H new ATOM 0 HE ARG A 124 -9.653 21.977 -4.825 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -9.120 19.424 -2.445 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -10.839 19.254 -2.072 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -11.860 21.752 -4.340 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -12.383 20.566 -3.140 1.00 0.00 H new