USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 560 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 30 HIS : no HD1:sc= -0.0157 K(o=-0.72,f=-1.6) USER MOD Set 1.2: A 41 MET CE :methyl -165:sc= -0.704 (180deg=-1.77) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.17 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -2.39! K(o=-2.4!,f=-1) USER MOD Single : A 25 GLN : amide:sc= -0.0428 X(o=-0.043,f=-0.42) USER MOD Single : A 28 THR OG1 : rot 76:sc= 0.118 USER MOD Single : A 39 THR OG1 : rot -170:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 154:sc= -0.308 (180deg=-0.781!) USER MOD Single : A 50 GLN : amide:sc= -2.23! C(o=-2.2!,f=-2.7!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.0139 K(o=-0.014,f=-1.4) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -1.19 K(o=-1.2,f=-0.43) USER MOD Single : A 67 GLN : amide:sc= -0.0599 X(o=-0.06,f=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -142:sc= -1.48! (180deg=-1.66!) USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 -1.969 -13.259 -3.711 1.00 0.00 N ATOM 67 CA PRO A 8 -2.079 -12.125 -4.633 1.00 0.00 C ATOM 68 C PRO A 8 -1.181 -10.960 -4.231 1.00 0.00 C ATOM 69 O PRO A 8 -1.039 -10.653 -3.046 1.00 0.00 O ATOM 70 CB PRO A 8 -3.553 -11.725 -4.530 1.00 0.00 C ATOM 71 CG PRO A 8 -3.978 -12.192 -3.181 1.00 0.00 C ATOM 72 CD PRO A 8 -3.189 -13.444 -2.908 1.00 0.00 C ATOM 0 HA PRO A 8 -1.765 -12.390 -5.643 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -3.679 -10.647 -4.634 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -4.146 -12.193 -5.316 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -3.779 -11.433 -2.425 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -5.049 -12.393 -3.157 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -2.960 -13.552 -1.848 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -3.736 -14.338 -3.208 1.00 0.00 H new ATOM 80 N LYS A 9 -0.577 -10.314 -5.222 1.00 0.00 N ATOM 81 CA LYS A 9 0.307 -9.181 -4.972 1.00 0.00 C ATOM 82 C LYS A 9 -0.498 -7.915 -4.697 1.00 0.00 C ATOM 83 O LYS A 9 -0.854 -7.182 -5.619 1.00 0.00 O ATOM 84 CB LYS A 9 1.236 -8.959 -6.167 1.00 0.00 C ATOM 85 CG LYS A 9 2.537 -8.262 -5.805 1.00 0.00 C ATOM 86 CD LYS A 9 3.149 -7.566 -7.008 1.00 0.00 C ATOM 87 CE LYS A 9 4.481 -6.920 -6.659 1.00 0.00 C ATOM 88 NZ LYS A 9 4.304 -5.685 -5.845 1.00 0.00 N ATOM 0 H LYS A 9 -0.683 -10.556 -6.207 1.00 0.00 H new ATOM 0 HA LYS A 9 0.908 -9.407 -4.091 1.00 0.00 H new ATOM 0 HB2 LYS A 9 1.464 -9.922 -6.623 1.00 0.00 H new ATOM 0 HB3 LYS A 9 0.713 -8.367 -6.918 1.00 0.00 H new ATOM 0 HG2 LYS A 9 2.353 -7.533 -5.016 1.00 0.00 H new ATOM 0 HG3 LYS A 9 3.243 -8.991 -5.407 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.293 -8.287 -7.813 1.00 0.00 H new ATOM 0 HD3 LYS A 9 2.461 -6.806 -7.379 1.00 0.00 H new ATOM 0 HE2 LYS A 9 5.097 -7.632 -6.109 1.00 0.00 H new ATOM 0 HE3 LYS A 9 5.018 -6.676 -7.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 5.235 -5.276 -5.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 3.738 -4.995 -6.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 3.815 -5.921 -4.958 1.00 0.00 H new ATOM 102 N ALA A 10 -0.779 -7.663 -3.423 1.00 0.00 N ATOM 103 CA ALA A 10 -1.538 -6.483 -3.027 1.00 0.00 C ATOM 104 C ALA A 10 -1.087 -5.253 -3.809 1.00 0.00 C ATOM 105 O ALA A 10 0.075 -4.849 -3.763 1.00 0.00 O ATOM 106 CB ALA A 10 -1.397 -6.241 -1.531 1.00 0.00 C ATOM 0 H ALA A 10 -0.492 -8.260 -2.647 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.588 -6.663 -3.257 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.969 -5.357 -1.250 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.774 -7.106 -0.985 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -0.346 -6.087 -1.285 1.00 0.00 H new ATOM 112 N PRO A 11 -2.027 -4.642 -4.544 1.00 0.00 N ATOM 113 CA PRO A 11 -1.749 -3.449 -5.350 1.00 0.00 C ATOM 114 C PRO A 11 -1.483 -2.218 -4.490 1.00 0.00 C ATOM 115 O PRO A 11 -1.743 -2.220 -3.288 1.00 0.00 O ATOM 116 CB PRO A 11 -3.033 -3.264 -6.164 1.00 0.00 C ATOM 117 CG PRO A 11 -4.096 -3.913 -5.347 1.00 0.00 C ATOM 118 CD PRO A 11 -3.433 -5.068 -4.646 1.00 0.00 C ATOM 0 HA PRO A 11 -0.854 -3.569 -5.960 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -3.249 -2.208 -6.328 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -2.949 -3.729 -7.146 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -4.519 -3.211 -4.628 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -4.916 -4.258 -5.977 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -3.871 -5.247 -3.664 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -3.533 -5.993 -5.213 1.00 0.00 H new ATOM 126 N VAL A 12 -0.961 -1.166 -5.116 1.00 0.00 N ATOM 127 CA VAL A 12 -0.660 0.072 -4.409 1.00 0.00 C ATOM 128 C VAL A 12 -1.905 0.940 -4.266 1.00 0.00 C ATOM 129 O VAL A 12 -2.745 0.994 -5.165 1.00 0.00 O ATOM 130 CB VAL A 12 0.435 0.879 -5.130 1.00 0.00 C ATOM 131 CG1 VAL A 12 1.737 0.093 -5.175 1.00 0.00 C ATOM 132 CG2 VAL A 12 -0.018 1.255 -6.534 1.00 0.00 C ATOM 0 H VAL A 12 -0.738 -1.148 -6.111 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.301 -0.209 -3.419 1.00 0.00 H new ATOM 0 HB VAL A 12 0.612 1.798 -4.571 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.499 0.680 -5.688 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.068 -0.121 -4.159 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.578 -0.843 -5.710 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.768 1.825 -7.029 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.224 0.349 -7.105 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.923 1.860 -6.475 1.00 0.00 H new ATOM 142 N THR A 13 -2.020 1.621 -3.130 1.00 0.00 N ATOM 143 CA THR A 13 -3.162 2.486 -2.868 1.00 0.00 C ATOM 144 C THR A 13 -3.106 3.744 -3.727 1.00 0.00 C ATOM 145 O THR A 13 -2.036 4.310 -3.947 1.00 0.00 O ATOM 146 CB THR A 13 -3.230 2.893 -1.384 1.00 0.00 C ATOM 147 OG1 THR A 13 -2.069 3.652 -1.030 1.00 0.00 O ATOM 148 CG2 THR A 13 -3.332 1.667 -0.490 1.00 0.00 C ATOM 0 H THR A 13 -1.334 1.589 -2.376 1.00 0.00 H new ATOM 0 HA THR A 13 -4.056 1.916 -3.121 1.00 0.00 H new ATOM 0 HB THR A 13 -4.121 3.504 -1.239 1.00 0.00 H new ATOM 0 HG1 THR A 13 -2.121 3.908 -0.086 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.379 1.980 0.553 1.00 0.00 H new ATOM 0 HG22 THR A 13 -4.233 1.107 -0.741 1.00 0.00 H new ATOM 0 HG23 THR A 13 -2.458 1.034 -0.640 1.00 0.00 H new ATOM 156 N GLY A 14 -4.266 4.179 -4.210 1.00 0.00 N ATOM 157 CA GLY A 14 -4.327 5.368 -5.038 1.00 0.00 C ATOM 158 C GLY A 14 -3.306 6.411 -4.631 1.00 0.00 C ATOM 159 O GLY A 14 -2.727 7.089 -5.480 1.00 0.00 O ATOM 0 H GLY A 14 -5.165 3.728 -4.042 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.163 5.091 -6.079 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.326 5.799 -4.976 1.00 0.00 H new ATOM 163 N TYR A 15 -3.085 6.543 -3.327 1.00 0.00 N ATOM 164 CA TYR A 15 -2.130 7.514 -2.808 1.00 0.00 C ATOM 165 C TYR A 15 -0.710 7.174 -3.252 1.00 0.00 C ATOM 166 O TYR A 15 0.018 8.032 -3.750 1.00 0.00 O ATOM 167 CB TYR A 15 -2.200 7.563 -1.281 1.00 0.00 C ATOM 168 CG TYR A 15 -1.096 8.382 -0.650 1.00 0.00 C ATOM 169 CD1 TYR A 15 -0.768 9.639 -1.141 1.00 0.00 C ATOM 170 CD2 TYR A 15 -0.380 7.897 0.439 1.00 0.00 C ATOM 171 CE1 TYR A 15 0.240 10.389 -0.568 1.00 0.00 C ATOM 172 CE2 TYR A 15 0.628 8.641 1.018 1.00 0.00 C ATOM 173 CZ TYR A 15 0.935 9.886 0.511 1.00 0.00 C ATOM 174 OH TYR A 15 1.940 10.632 1.085 1.00 0.00 O ATOM 0 H TYR A 15 -3.555 5.989 -2.611 1.00 0.00 H new ATOM 0 HA TYR A 15 -2.392 8.493 -3.209 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -3.163 7.977 -0.983 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -2.155 6.546 -0.891 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -1.311 10.037 -1.986 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -0.617 6.922 0.838 1.00 0.00 H new ATOM 0 HE1 TYR A 15 0.483 11.364 -0.963 1.00 0.00 H new ATOM 0 HE2 TYR A 15 1.174 8.250 1.864 1.00 0.00 H new ATOM 0 HH TYR A 15 2.329 10.135 1.835 1.00 0.00 H new ATOM 184 N VAL A 16 -0.326 5.915 -3.069 1.00 0.00 N ATOM 185 CA VAL A 16 1.004 5.459 -3.453 1.00 0.00 C ATOM 186 C VAL A 16 1.155 5.414 -4.969 1.00 0.00 C ATOM 187 O VAL A 16 2.157 5.871 -5.518 1.00 0.00 O ATOM 188 CB VAL A 16 1.308 4.063 -2.875 1.00 0.00 C ATOM 189 CG1 VAL A 16 2.666 3.572 -3.352 1.00 0.00 C ATOM 190 CG2 VAL A 16 1.243 4.090 -1.356 1.00 0.00 C ATOM 0 H VAL A 16 -0.917 5.193 -2.657 1.00 0.00 H new ATOM 0 HA VAL A 16 1.714 6.177 -3.042 1.00 0.00 H new ATOM 0 HB VAL A 16 0.551 3.366 -3.235 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.863 2.585 -2.934 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.670 3.512 -4.440 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.440 4.266 -3.024 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.460 3.096 -0.965 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.977 4.799 -0.973 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.245 4.394 -1.040 1.00 0.00 H new ATOM 200 N ARG A 17 0.151 4.860 -5.641 1.00 0.00 N ATOM 201 CA ARG A 17 0.171 4.754 -7.095 1.00 0.00 C ATOM 202 C ARG A 17 0.723 6.029 -7.725 1.00 0.00 C ATOM 203 O ARG A 17 1.746 6.004 -8.410 1.00 0.00 O ATOM 204 CB ARG A 17 -1.236 4.477 -7.627 1.00 0.00 C ATOM 205 CG ARG A 17 -1.251 3.839 -9.006 1.00 0.00 C ATOM 206 CD ARG A 17 -2.671 3.590 -9.490 1.00 0.00 C ATOM 207 NE ARG A 17 -2.732 2.520 -10.483 1.00 0.00 N ATOM 208 CZ ARG A 17 -2.424 2.689 -11.764 1.00 0.00 C ATOM 209 NH1 ARG A 17 -2.035 3.877 -12.205 1.00 0.00 N ATOM 210 NH2 ARG A 17 -2.504 1.668 -12.607 1.00 0.00 N ATOM 0 H ARG A 17 -0.686 4.478 -5.202 1.00 0.00 H new ATOM 0 HA ARG A 17 0.824 3.924 -7.365 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -1.757 3.823 -6.928 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -1.792 5.414 -7.663 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -0.733 4.487 -9.713 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.705 2.896 -8.978 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -3.303 3.332 -8.640 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -3.073 4.507 -9.920 1.00 0.00 H new ATOM 0 HE ARG A 17 -3.027 1.593 -10.176 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -1.971 4.665 -11.560 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -1.799 4.003 -13.189 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -2.802 0.752 -12.272 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -2.267 1.799 -13.590 1.00 0.00 H new ATOM 224 N PHE A 18 0.038 7.144 -7.489 1.00 0.00 N ATOM 225 CA PHE A 18 0.458 8.429 -8.034 1.00 0.00 C ATOM 226 C PHE A 18 1.919 8.712 -7.697 1.00 0.00 C ATOM 227 O PHE A 18 2.705 9.103 -8.562 1.00 0.00 O ATOM 228 CB PHE A 18 -0.429 9.552 -7.493 1.00 0.00 C ATOM 229 CG PHE A 18 0.251 10.890 -7.458 1.00 0.00 C ATOM 230 CD1 PHE A 18 1.160 11.194 -6.456 1.00 0.00 C ATOM 231 CD2 PHE A 18 -0.015 11.844 -8.427 1.00 0.00 C ATOM 232 CE1 PHE A 18 1.788 12.425 -6.421 1.00 0.00 C ATOM 233 CE2 PHE A 18 0.610 13.076 -8.397 1.00 0.00 C ATOM 234 CZ PHE A 18 1.512 13.367 -7.393 1.00 0.00 C ATOM 0 H PHE A 18 -0.810 7.183 -6.924 1.00 0.00 H new ATOM 0 HA PHE A 18 0.356 8.386 -9.118 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -1.325 9.625 -8.109 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -0.755 9.293 -6.486 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.380 10.461 -5.694 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.719 11.622 -9.215 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.493 12.650 -5.635 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.393 13.811 -9.158 1.00 0.00 H new ATOM 0 HZ PHE A 18 2.001 14.330 -7.368 1.00 0.00 H new ATOM 244 N LEU A 19 2.277 8.512 -6.433 1.00 0.00 N ATOM 245 CA LEU A 19 3.643 8.747 -5.979 1.00 0.00 C ATOM 246 C LEU A 19 4.642 7.980 -6.839 1.00 0.00 C ATOM 247 O LEU A 19 5.679 8.515 -7.229 1.00 0.00 O ATOM 248 CB LEU A 19 3.792 8.333 -4.514 1.00 0.00 C ATOM 249 CG LEU A 19 3.045 9.193 -3.494 1.00 0.00 C ATOM 250 CD1 LEU A 19 3.065 8.535 -2.123 1.00 0.00 C ATOM 251 CD2 LEU A 19 3.648 10.588 -3.427 1.00 0.00 C ATOM 0 H LEU A 19 1.640 8.188 -5.705 1.00 0.00 H new ATOM 0 HA LEU A 19 3.853 9.812 -6.073 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.449 7.303 -4.412 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.852 8.343 -4.261 1.00 0.00 H new ATOM 0 HG LEU A 19 2.007 9.283 -3.816 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.529 9.162 -1.411 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.584 7.558 -2.181 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.097 8.412 -1.793 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.103 11.185 -2.696 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.695 10.518 -3.131 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.579 11.062 -4.406 1.00 0.00 H new ATOM 263 N ASN A 20 4.320 6.725 -7.134 1.00 0.00 N ATOM 264 CA ASN A 20 5.190 5.884 -7.950 1.00 0.00 C ATOM 265 C ASN A 20 5.248 6.397 -9.386 1.00 0.00 C ATOM 266 O ASN A 20 6.326 6.679 -9.910 1.00 0.00 O ATOM 267 CB ASN A 20 4.695 4.436 -7.934 1.00 0.00 C ATOM 268 CG ASN A 20 5.215 3.661 -6.738 1.00 0.00 C ATOM 269 OD1 ASN A 20 6.188 2.916 -6.843 1.00 0.00 O ATOM 270 ND2 ASN A 20 4.565 3.835 -5.593 1.00 0.00 N ATOM 0 H ASN A 20 3.464 6.268 -6.821 1.00 0.00 H new ATOM 0 HA ASN A 20 6.194 5.922 -7.527 1.00 0.00 H new ATOM 0 HB2 ASN A 20 3.605 4.427 -7.923 1.00 0.00 H new ATOM 0 HB3 ASN A 20 5.009 3.937 -8.851 1.00 0.00 H new ATOM 0 HD21 ASN A 20 4.868 3.340 -4.754 1.00 0.00 H new ATOM 0 HD22 ASN A 20 3.763 4.463 -5.552 1.00 0.00 H new ATOM 277 N GLU A 21 4.084 6.515 -10.015 1.00 0.00 N ATOM 278 CA GLU A 21 4.003 6.993 -11.389 1.00 0.00 C ATOM 279 C GLU A 21 4.855 8.246 -11.580 1.00 0.00 C ATOM 280 O GLU A 21 5.541 8.395 -12.592 1.00 0.00 O ATOM 281 CB GLU A 21 2.550 7.289 -11.768 1.00 0.00 C ATOM 282 CG GLU A 21 2.322 7.407 -13.264 1.00 0.00 C ATOM 283 CD GLU A 21 0.926 6.985 -13.677 1.00 0.00 C ATOM 284 OE1 GLU A 21 -0.048 7.517 -13.105 1.00 0.00 O ATOM 285 OE2 GLU A 21 0.806 6.121 -14.571 1.00 0.00 O ATOM 0 H GLU A 21 3.183 6.286 -9.594 1.00 0.00 H new ATOM 0 HA GLU A 21 4.387 6.209 -12.041 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.912 6.498 -11.373 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.240 8.217 -11.288 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.492 8.438 -13.573 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.053 6.792 -13.789 1.00 0.00 H new ATOM 292 N ARG A 22 4.804 9.144 -10.601 1.00 0.00 N ATOM 293 CA ARG A 22 5.568 10.384 -10.662 1.00 0.00 C ATOM 294 C ARG A 22 7.009 10.156 -10.217 1.00 0.00 C ATOM 295 O ARG A 22 7.935 10.782 -10.734 1.00 0.00 O ATOM 296 CB ARG A 22 4.915 11.453 -9.784 1.00 0.00 C ATOM 297 CG ARG A 22 3.697 12.103 -10.420 1.00 0.00 C ATOM 298 CD ARG A 22 4.085 13.306 -11.266 1.00 0.00 C ATOM 299 NE ARG A 22 4.638 14.389 -10.457 1.00 0.00 N ATOM 300 CZ ARG A 22 5.127 15.512 -10.970 1.00 0.00 C ATOM 301 NH1 ARG A 22 5.134 15.698 -12.282 1.00 0.00 N ATOM 302 NH2 ARG A 22 5.613 16.451 -10.169 1.00 0.00 N ATOM 0 H ARG A 22 4.242 9.036 -9.757 1.00 0.00 H new ATOM 0 HA ARG A 22 5.575 10.727 -11.696 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.622 11.003 -8.835 1.00 0.00 H new ATOM 0 HB3 ARG A 22 5.651 12.224 -9.557 1.00 0.00 H new ATOM 0 HG2 ARG A 22 3.176 11.373 -11.040 1.00 0.00 H new ATOM 0 HG3 ARG A 22 3.001 12.414 -9.641 1.00 0.00 H new ATOM 0 HD2 ARG A 22 4.817 13.002 -12.014 1.00 0.00 H new ATOM 0 HD3 ARG A 22 3.209 13.667 -11.805 1.00 0.00 H new ATOM 0 HE ARG A 22 4.649 14.277 -9.443 1.00 0.00 H new ATOM 0 HH11 ARG A 22 4.763 14.977 -12.901 1.00 0.00 H new ATOM 0 HH12 ARG A 22 5.510 16.562 -12.673 1.00 0.00 H new ATOM 0 HH21 ARG A 22 5.611 16.311 -9.159 1.00 0.00 H new ATOM 0 HH22 ARG A 22 5.989 17.313 -10.563 1.00 0.00 H new ATOM 316 N ARG A 23 7.192 9.257 -9.256 1.00 0.00 N ATOM 317 CA ARG A 23 8.520 8.948 -8.740 1.00 0.00 C ATOM 318 C ARG A 23 9.545 8.906 -9.869 1.00 0.00 C ATOM 319 O ARG A 23 10.612 9.512 -9.774 1.00 0.00 O ATOM 320 CB ARG A 23 8.504 7.608 -8.001 1.00 0.00 C ATOM 321 CG ARG A 23 9.868 7.184 -7.481 1.00 0.00 C ATOM 322 CD ARG A 23 10.620 6.347 -8.505 1.00 0.00 C ATOM 323 NE ARG A 23 9.853 5.179 -8.926 1.00 0.00 N ATOM 324 CZ ARG A 23 9.791 4.050 -8.228 1.00 0.00 C ATOM 325 NH1 ARG A 23 10.448 3.939 -7.082 1.00 0.00 N ATOM 326 NH2 ARG A 23 9.072 3.029 -8.677 1.00 0.00 N ATOM 0 H ARG A 23 6.437 8.729 -8.819 1.00 0.00 H new ATOM 0 HA ARG A 23 8.804 9.736 -8.043 1.00 0.00 H new ATOM 0 HB2 ARG A 23 7.809 7.673 -7.164 1.00 0.00 H new ATOM 0 HB3 ARG A 23 8.124 6.837 -8.672 1.00 0.00 H new ATOM 0 HG2 ARG A 23 10.454 8.068 -7.231 1.00 0.00 H new ATOM 0 HG3 ARG A 23 9.746 6.612 -6.561 1.00 0.00 H new ATOM 0 HD2 ARG A 23 10.852 6.961 -9.375 1.00 0.00 H new ATOM 0 HD3 ARG A 23 11.570 6.023 -8.081 1.00 0.00 H new ATOM 0 HE ARG A 23 9.336 5.232 -9.804 1.00 0.00 H new ATOM 0 HH11 ARG A 23 11.003 4.721 -6.734 1.00 0.00 H new ATOM 0 HH12 ARG A 23 10.399 3.071 -6.548 1.00 0.00 H new ATOM 0 HH21 ARG A 23 8.566 3.110 -9.559 1.00 0.00 H new ATOM 0 HH22 ARG A 23 9.025 2.163 -8.140 1.00 0.00 H new ATOM 340 N GLU A 24 9.213 8.187 -10.937 1.00 0.00 N ATOM 341 CA GLU A 24 10.107 8.065 -12.083 1.00 0.00 C ATOM 342 C GLU A 24 10.346 9.426 -12.733 1.00 0.00 C ATOM 343 O GLU A 24 11.463 9.740 -13.142 1.00 0.00 O ATOM 344 CB GLU A 24 9.524 7.092 -13.111 1.00 0.00 C ATOM 345 CG GLU A 24 10.292 7.060 -14.422 1.00 0.00 C ATOM 346 CD GLU A 24 9.860 5.920 -15.323 1.00 0.00 C ATOM 347 OE1 GLU A 24 8.813 6.054 -15.991 1.00 0.00 O ATOM 348 OE2 GLU A 24 10.569 4.892 -15.360 1.00 0.00 O ATOM 0 H GLU A 24 8.333 7.681 -11.033 1.00 0.00 H new ATOM 0 HA GLU A 24 11.062 7.678 -11.728 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.510 6.090 -12.683 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.489 7.367 -13.313 1.00 0.00 H new ATOM 0 HG2 GLU A 24 10.150 8.006 -14.945 1.00 0.00 H new ATOM 0 HG3 GLU A 24 11.358 6.969 -14.212 1.00 0.00 H new ATOM 355 N GLN A 25 9.289 10.226 -12.823 1.00 0.00 N ATOM 356 CA GLN A 25 9.384 11.551 -13.424 1.00 0.00 C ATOM 357 C GLN A 25 10.431 12.399 -12.709 1.00 0.00 C ATOM 358 O GLN A 25 11.189 13.132 -13.345 1.00 0.00 O ATOM 359 CB GLN A 25 8.025 12.253 -13.379 1.00 0.00 C ATOM 360 CG GLN A 25 6.890 11.417 -13.946 1.00 0.00 C ATOM 361 CD GLN A 25 7.116 11.032 -15.395 1.00 0.00 C ATOM 362 OE1 GLN A 25 7.848 10.087 -15.692 1.00 0.00 O ATOM 363 NE2 GLN A 25 6.486 11.763 -16.308 1.00 0.00 N ATOM 0 H GLN A 25 8.358 9.980 -12.488 1.00 0.00 H new ATOM 0 HA GLN A 25 9.689 11.430 -14.464 1.00 0.00 H new ATOM 0 HB2 GLN A 25 7.793 12.512 -12.346 1.00 0.00 H new ATOM 0 HB3 GLN A 25 8.090 13.188 -13.935 1.00 0.00 H new ATOM 0 HG2 GLN A 25 6.775 10.513 -13.348 1.00 0.00 H new ATOM 0 HG3 GLN A 25 5.957 11.974 -13.863 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.889 12.537 -16.018 1.00 0.00 H new ATOM 0 HE22 GLN A 25 6.599 11.550 -17.299 1.00 0.00 H new ATOM 372 N ILE A 26 10.467 12.293 -11.385 1.00 0.00 N ATOM 373 CA ILE A 26 11.423 13.049 -10.585 1.00 0.00 C ATOM 374 C ILE A 26 12.849 12.574 -10.836 1.00 0.00 C ATOM 375 O ILE A 26 13.697 13.338 -11.297 1.00 0.00 O ATOM 376 CB ILE A 26 11.113 12.935 -9.081 1.00 0.00 C ATOM 377 CG1 ILE A 26 9.660 13.330 -8.805 1.00 0.00 C ATOM 378 CG2 ILE A 26 12.066 13.804 -8.275 1.00 0.00 C ATOM 379 CD1 ILE A 26 9.348 14.768 -9.161 1.00 0.00 C ATOM 0 H ILE A 26 9.846 11.692 -10.844 1.00 0.00 H new ATOM 0 HA ILE A 26 11.332 14.092 -10.889 1.00 0.00 H new ATOM 0 HB ILE A 26 11.252 11.898 -8.775 1.00 0.00 H new ATOM 0 HG12 ILE A 26 8.999 12.672 -9.370 1.00 0.00 H new ATOM 0 HG13 ILE A 26 9.442 13.170 -7.749 1.00 0.00 H new ATOM 0 HG21 ILE A 26 11.833 13.712 -7.214 1.00 0.00 H new ATOM 0 HG22 ILE A 26 13.092 13.479 -8.451 1.00 0.00 H new ATOM 0 HG23 ILE A 26 11.957 14.844 -8.581 1.00 0.00 H new ATOM 0 HD11 ILE A 26 8.302 14.979 -8.940 1.00 0.00 H new ATOM 0 HD12 ILE A 26 9.984 15.434 -8.577 1.00 0.00 H new ATOM 0 HD13 ILE A 26 9.534 14.928 -10.223 1.00 0.00 H new ATOM 391 N ARG A 27 13.106 11.305 -10.532 1.00 0.00 N ATOM 392 CA ARG A 27 14.430 10.727 -10.726 1.00 0.00 C ATOM 393 C ARG A 27 15.111 11.326 -11.953 1.00 0.00 C ATOM 394 O ARG A 27 16.278 11.715 -11.902 1.00 0.00 O ATOM 395 CB ARG A 27 14.329 9.208 -10.875 1.00 0.00 C ATOM 396 CG ARG A 27 14.260 8.468 -9.549 1.00 0.00 C ATOM 397 CD ARG A 27 15.597 8.497 -8.825 1.00 0.00 C ATOM 398 NE ARG A 27 15.580 7.681 -7.614 1.00 0.00 N ATOM 399 CZ ARG A 27 16.518 7.739 -6.675 1.00 0.00 C ATOM 400 NH1 ARG A 27 17.542 8.571 -6.807 1.00 0.00 N ATOM 401 NH2 ARG A 27 16.433 6.964 -5.601 1.00 0.00 N ATOM 0 H ARG A 27 12.415 10.659 -10.151 1.00 0.00 H new ATOM 0 HA ARG A 27 15.033 10.960 -9.848 1.00 0.00 H new ATOM 0 HB2 ARG A 27 13.443 8.967 -11.462 1.00 0.00 H new ATOM 0 HB3 ARG A 27 15.191 8.849 -11.437 1.00 0.00 H new ATOM 0 HG2 ARG A 27 13.494 8.919 -8.919 1.00 0.00 H new ATOM 0 HG3 ARG A 27 13.962 7.434 -9.723 1.00 0.00 H new ATOM 0 HD2 ARG A 27 16.379 8.138 -9.494 1.00 0.00 H new ATOM 0 HD3 ARG A 27 15.847 9.526 -8.566 1.00 0.00 H new ATOM 0 HE ARG A 27 14.805 7.031 -7.482 1.00 0.00 H new ATOM 0 HH11 ARG A 27 17.611 9.168 -7.631 1.00 0.00 H new ATOM 0 HH12 ARG A 27 18.261 8.614 -6.085 1.00 0.00 H new ATOM 0 HH21 ARG A 27 15.647 6.323 -5.496 1.00 0.00 H new ATOM 0 HH22 ARG A 27 17.154 7.010 -4.881 1.00 0.00 H new ATOM 415 N THR A 28 14.373 11.396 -13.057 1.00 0.00 N ATOM 416 CA THR A 28 14.906 11.944 -14.299 1.00 0.00 C ATOM 417 C THR A 28 15.422 13.364 -14.094 1.00 0.00 C ATOM 418 O THR A 28 16.505 13.714 -14.562 1.00 0.00 O ATOM 419 CB THR A 28 13.841 11.952 -15.411 1.00 0.00 C ATOM 420 OG1 THR A 28 13.302 10.637 -15.582 1.00 0.00 O ATOM 421 CG2 THR A 28 14.435 12.438 -16.725 1.00 0.00 C ATOM 0 H THR A 28 13.405 11.080 -13.116 1.00 0.00 H new ATOM 0 HA THR A 28 15.731 11.300 -14.602 1.00 0.00 H new ATOM 0 HB THR A 28 13.044 12.635 -15.116 1.00 0.00 H new ATOM 0 HG1 THR A 28 12.684 10.439 -14.847 1.00 0.00 H new ATOM 0 HG21 THR A 28 13.664 12.435 -17.496 1.00 0.00 H new ATOM 0 HG22 THR A 28 14.818 13.451 -16.599 1.00 0.00 H new ATOM 0 HG23 THR A 28 15.249 11.777 -17.023 1.00 0.00 H new ATOM 429 N ARG A 29 14.639 14.179 -13.394 1.00 0.00 N ATOM 430 CA ARG A 29 15.018 15.561 -13.129 1.00 0.00 C ATOM 431 C ARG A 29 16.063 15.636 -12.020 1.00 0.00 C ATOM 432 O ARG A 29 17.136 16.212 -12.201 1.00 0.00 O ATOM 433 CB ARG A 29 13.788 16.384 -12.741 1.00 0.00 C ATOM 434 CG ARG A 29 13.080 17.018 -13.929 1.00 0.00 C ATOM 435 CD ARG A 29 11.617 17.295 -13.621 1.00 0.00 C ATOM 436 NE ARG A 29 11.111 18.448 -14.362 1.00 0.00 N ATOM 437 CZ ARG A 29 11.576 19.682 -14.208 1.00 0.00 C ATOM 438 NH1 ARG A 29 12.552 19.923 -13.343 1.00 0.00 N ATOM 439 NH2 ARG A 29 11.064 20.679 -14.918 1.00 0.00 N ATOM 0 H ARG A 29 13.739 13.906 -13.000 1.00 0.00 H new ATOM 0 HA ARG A 29 15.451 15.973 -14.041 1.00 0.00 H new ATOM 0 HB2 ARG A 29 13.085 15.743 -12.210 1.00 0.00 H new ATOM 0 HB3 ARG A 29 14.090 17.169 -12.048 1.00 0.00 H new ATOM 0 HG2 ARG A 29 13.579 17.949 -14.197 1.00 0.00 H new ATOM 0 HG3 ARG A 29 13.153 16.357 -14.793 1.00 0.00 H new ATOM 0 HD2 ARG A 29 11.022 16.416 -13.868 1.00 0.00 H new ATOM 0 HD3 ARG A 29 11.498 17.471 -12.552 1.00 0.00 H new ATOM 0 HE ARG A 29 10.359 18.297 -15.035 1.00 0.00 H new ATOM 0 HH11 ARG A 29 12.947 19.159 -12.794 1.00 0.00 H new ATOM 0 HH12 ARG A 29 12.907 20.872 -13.227 1.00 0.00 H new ATOM 0 HH21 ARG A 29 10.312 20.498 -15.583 1.00 0.00 H new ATOM 0 HH22 ARG A 29 11.422 21.627 -14.799 1.00 0.00 H new ATOM 453 N HIS A 30 15.742 15.051 -10.870 1.00 0.00 N ATOM 454 CA HIS A 30 16.652 15.051 -9.731 1.00 0.00 C ATOM 455 C HIS A 30 17.220 13.655 -9.490 1.00 0.00 C ATOM 456 O HIS A 30 16.827 12.951 -8.559 1.00 0.00 O ATOM 457 CB HIS A 30 15.933 15.545 -8.476 1.00 0.00 C ATOM 458 CG HIS A 30 15.205 16.839 -8.673 1.00 0.00 C ATOM 459 ND1 HIS A 30 15.773 18.069 -8.419 1.00 0.00 N ATOM 460 CD2 HIS A 30 13.946 17.090 -9.105 1.00 0.00 C ATOM 461 CE1 HIS A 30 14.895 19.020 -8.684 1.00 0.00 C ATOM 462 NE2 HIS A 30 13.779 18.452 -9.103 1.00 0.00 N ATOM 0 H HIS A 30 14.858 14.571 -10.703 1.00 0.00 H new ATOM 0 HA HIS A 30 17.477 15.726 -9.957 1.00 0.00 H new ATOM 0 HB2 HIS A 30 15.223 14.784 -8.151 1.00 0.00 H new ATOM 0 HB3 HIS A 30 16.661 15.666 -7.674 1.00 0.00 H new ATOM 0 HD2 HIS A 30 13.210 16.355 -9.397 1.00 0.00 H new ATOM 0 HE1 HIS A 30 15.062 20.082 -8.576 1.00 0.00 H new ATOM 0 HE2 HIS A 30 12.930 18.946 -9.380 1.00 0.00 H new ATOM 471 N PRO A 31 18.168 13.244 -10.346 1.00 0.00 N ATOM 472 CA PRO A 31 18.809 11.931 -10.246 1.00 0.00 C ATOM 473 C PRO A 31 19.724 11.824 -9.031 1.00 0.00 C ATOM 474 O PRO A 31 20.314 10.773 -8.777 1.00 0.00 O ATOM 475 CB PRO A 31 19.623 11.834 -11.539 1.00 0.00 C ATOM 476 CG PRO A 31 19.887 13.248 -11.926 1.00 0.00 C ATOM 477 CD PRO A 31 18.684 14.032 -11.478 1.00 0.00 C ATOM 0 HA PRO A 31 18.080 11.130 -10.124 1.00 0.00 H new ATOM 0 HB2 PRO A 31 20.552 11.286 -11.382 1.00 0.00 H new ATOM 0 HB3 PRO A 31 19.070 11.307 -12.317 1.00 0.00 H new ATOM 0 HG2 PRO A 31 20.794 13.620 -11.450 1.00 0.00 H new ATOM 0 HG3 PRO A 31 20.032 13.337 -13.003 1.00 0.00 H new ATOM 0 HD2 PRO A 31 18.953 15.044 -11.174 1.00 0.00 H new ATOM 0 HD3 PRO A 31 17.945 14.124 -12.274 1.00 0.00 H new ATOM 485 N ASP A 32 19.837 12.915 -8.283 1.00 0.00 N ATOM 486 CA ASP A 32 20.679 12.943 -7.093 1.00 0.00 C ATOM 487 C ASP A 32 19.839 12.783 -5.829 1.00 0.00 C ATOM 488 O ASP A 32 20.320 12.287 -4.810 1.00 0.00 O ATOM 489 CB ASP A 32 21.471 14.250 -7.033 1.00 0.00 C ATOM 490 CG ASP A 32 22.492 14.360 -8.148 1.00 0.00 C ATOM 491 OD1 ASP A 32 22.153 14.011 -9.299 1.00 0.00 O ATOM 492 OD2 ASP A 32 23.630 14.793 -7.870 1.00 0.00 O ATOM 0 H ASP A 32 19.356 13.793 -8.480 1.00 0.00 H new ATOM 0 HA ASP A 32 21.377 12.108 -7.152 1.00 0.00 H new ATOM 0 HB2 ASP A 32 20.782 15.092 -7.091 1.00 0.00 H new ATOM 0 HB3 ASP A 32 21.979 14.320 -6.071 1.00 0.00 H new ATOM 497 N LEU A 33 18.583 13.210 -5.903 1.00 0.00 N ATOM 498 CA LEU A 33 17.675 13.115 -4.764 1.00 0.00 C ATOM 499 C LEU A 33 17.434 11.659 -4.379 1.00 0.00 C ATOM 500 O LEU A 33 17.046 10.830 -5.202 1.00 0.00 O ATOM 501 CB LEU A 33 16.345 13.796 -5.089 1.00 0.00 C ATOM 502 CG LEU A 33 16.302 15.313 -4.897 1.00 0.00 C ATOM 503 CD1 LEU A 33 14.867 15.815 -4.936 1.00 0.00 C ATOM 504 CD2 LEU A 33 16.970 15.704 -3.588 1.00 0.00 C ATOM 0 H LEU A 33 18.170 13.625 -6.738 1.00 0.00 H new ATOM 0 HA LEU A 33 18.139 13.623 -3.918 1.00 0.00 H new ATOM 0 HB2 LEU A 33 16.090 13.574 -6.125 1.00 0.00 H new ATOM 0 HB3 LEU A 33 15.570 13.349 -4.467 1.00 0.00 H new ATOM 0 HG LEU A 33 16.851 15.779 -5.715 1.00 0.00 H new ATOM 0 HD11 LEU A 33 14.856 16.896 -4.798 1.00 0.00 H new ATOM 0 HD12 LEU A 33 14.421 15.568 -5.899 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.294 15.341 -4.139 1.00 0.00 H new ATOM 0 HD21 LEU A 33 16.930 16.787 -3.468 1.00 0.00 H new ATOM 0 HD22 LEU A 33 16.449 15.228 -2.757 1.00 0.00 H new ATOM 0 HD23 LEU A 33 18.010 15.378 -3.599 1.00 0.00 H new ATOM 516 N PRO A 34 17.667 11.340 -3.097 1.00 0.00 N ATOM 517 CA PRO A 34 17.478 9.984 -2.572 1.00 0.00 C ATOM 518 C PRO A 34 16.008 9.587 -2.507 1.00 0.00 C ATOM 519 O PRO A 34 15.156 10.215 -3.136 1.00 0.00 O ATOM 520 CB PRO A 34 18.075 10.062 -1.165 1.00 0.00 C ATOM 521 CG PRO A 34 17.964 11.498 -0.786 1.00 0.00 C ATOM 522 CD PRO A 34 18.131 12.277 -2.061 1.00 0.00 C ATOM 0 HA PRO A 34 17.946 9.232 -3.207 1.00 0.00 H new ATOM 0 HB2 PRO A 34 17.530 9.425 -0.468 1.00 0.00 H new ATOM 0 HB3 PRO A 34 19.113 9.729 -1.156 1.00 0.00 H new ATOM 0 HG2 PRO A 34 16.999 11.706 -0.325 1.00 0.00 H new ATOM 0 HG3 PRO A 34 18.730 11.770 -0.059 1.00 0.00 H new ATOM 0 HD2 PRO A 34 17.539 13.192 -2.053 1.00 0.00 H new ATOM 0 HD3 PRO A 34 19.169 12.570 -2.220 1.00 0.00 H new ATOM 530 N PHE A 35 15.716 8.541 -1.740 1.00 0.00 N ATOM 531 CA PHE A 35 14.347 8.060 -1.593 1.00 0.00 C ATOM 532 C PHE A 35 13.522 9.021 -0.741 1.00 0.00 C ATOM 533 O PHE A 35 12.502 9.556 -1.176 1.00 0.00 O ATOM 534 CB PHE A 35 14.340 6.667 -0.961 1.00 0.00 C ATOM 535 CG PHE A 35 13.138 6.405 -0.099 1.00 0.00 C ATOM 536 CD1 PHE A 35 11.873 6.793 -0.514 1.00 0.00 C ATOM 537 CD2 PHE A 35 13.271 5.772 1.125 1.00 0.00 C ATOM 538 CE1 PHE A 35 10.766 6.555 0.277 1.00 0.00 C ATOM 539 CE2 PHE A 35 12.167 5.530 1.921 1.00 0.00 C ATOM 540 CZ PHE A 35 10.912 5.922 1.496 1.00 0.00 C ATOM 0 H PHE A 35 16.409 8.011 -1.211 1.00 0.00 H new ATOM 0 HA PHE A 35 13.899 8.004 -2.585 1.00 0.00 H new ATOM 0 HB2 PHE A 35 14.380 5.918 -1.752 1.00 0.00 H new ATOM 0 HB3 PHE A 35 15.241 6.545 -0.360 1.00 0.00 H new ATOM 0 HD1 PHE A 35 11.752 7.287 -1.467 1.00 0.00 H new ATOM 0 HD2 PHE A 35 14.249 5.463 1.462 1.00 0.00 H new ATOM 0 HE1 PHE A 35 9.787 6.864 -0.057 1.00 0.00 H new ATOM 0 HE2 PHE A 35 12.285 5.035 2.874 1.00 0.00 H new ATOM 0 HZ PHE A 35 10.047 5.734 2.115 1.00 0.00 H new ATOM 550 N PRO A 36 13.973 9.246 0.502 1.00 0.00 N ATOM 551 CA PRO A 36 13.292 10.142 1.441 1.00 0.00 C ATOM 552 C PRO A 36 13.405 11.607 1.029 1.00 0.00 C ATOM 553 O PRO A 36 13.218 12.507 1.848 1.00 0.00 O ATOM 554 CB PRO A 36 14.029 9.900 2.760 1.00 0.00 C ATOM 555 CG PRO A 36 15.381 9.422 2.357 1.00 0.00 C ATOM 556 CD PRO A 36 15.183 8.644 1.086 1.00 0.00 C ATOM 0 HA PRO A 36 12.222 9.942 1.492 1.00 0.00 H new ATOM 0 HB2 PRO A 36 14.092 10.813 3.351 1.00 0.00 H new ATOM 0 HB3 PRO A 36 13.513 9.159 3.371 1.00 0.00 H new ATOM 0 HG2 PRO A 36 16.060 10.260 2.200 1.00 0.00 H new ATOM 0 HG3 PRO A 36 15.821 8.796 3.133 1.00 0.00 H new ATOM 0 HD2 PRO A 36 16.040 8.738 0.420 1.00 0.00 H new ATOM 0 HD3 PRO A 36 15.048 7.580 1.283 1.00 0.00 H new ATOM 564 N GLU A 37 13.711 11.838 -0.244 1.00 0.00 N ATOM 565 CA GLU A 37 13.849 13.193 -0.762 1.00 0.00 C ATOM 566 C GLU A 37 12.959 13.401 -1.984 1.00 0.00 C ATOM 567 O GLU A 37 12.564 14.526 -2.293 1.00 0.00 O ATOM 568 CB GLU A 37 15.307 13.479 -1.126 1.00 0.00 C ATOM 569 CG GLU A 37 16.162 13.887 0.062 1.00 0.00 C ATOM 570 CD GLU A 37 15.824 15.273 0.575 1.00 0.00 C ATOM 571 OE1 GLU A 37 15.354 16.105 -0.228 1.00 0.00 O ATOM 572 OE2 GLU A 37 16.030 15.526 1.781 1.00 0.00 O ATOM 0 H GLU A 37 13.868 11.104 -0.935 1.00 0.00 H new ATOM 0 HA GLU A 37 13.535 13.886 0.018 1.00 0.00 H new ATOM 0 HB2 GLU A 37 15.739 12.590 -1.586 1.00 0.00 H new ATOM 0 HB3 GLU A 37 15.337 14.271 -1.874 1.00 0.00 H new ATOM 0 HG2 GLU A 37 16.029 13.163 0.866 1.00 0.00 H new ATOM 0 HG3 GLU A 37 17.213 13.856 -0.224 1.00 0.00 H new ATOM 579 N ILE A 38 12.646 12.310 -2.673 1.00 0.00 N ATOM 580 CA ILE A 38 11.802 12.372 -3.861 1.00 0.00 C ATOM 581 C ILE A 38 10.327 12.240 -3.495 1.00 0.00 C ATOM 582 O ILE A 38 9.479 12.967 -4.014 1.00 0.00 O ATOM 583 CB ILE A 38 12.169 11.269 -4.871 1.00 0.00 C ATOM 584 CG1 ILE A 38 13.611 11.445 -5.349 1.00 0.00 C ATOM 585 CG2 ILE A 38 11.208 11.289 -6.050 1.00 0.00 C ATOM 586 CD1 ILE A 38 14.178 10.217 -6.026 1.00 0.00 C ATOM 0 H ILE A 38 12.964 11.372 -2.430 1.00 0.00 H new ATOM 0 HA ILE A 38 11.975 13.345 -4.320 1.00 0.00 H new ATOM 0 HB ILE A 38 12.086 10.301 -4.376 1.00 0.00 H new ATOM 0 HG12 ILE A 38 13.655 12.285 -6.042 1.00 0.00 H new ATOM 0 HG13 ILE A 38 14.239 11.702 -4.496 1.00 0.00 H new ATOM 0 HG21 ILE A 38 11.481 10.504 -6.755 1.00 0.00 H new ATOM 0 HG22 ILE A 38 10.192 11.120 -5.694 1.00 0.00 H new ATOM 0 HG23 ILE A 38 11.262 12.258 -6.547 1.00 0.00 H new ATOM 0 HD11 ILE A 38 15.203 10.415 -6.339 1.00 0.00 H new ATOM 0 HD12 ILE A 38 14.166 9.379 -5.329 1.00 0.00 H new ATOM 0 HD13 ILE A 38 13.574 9.971 -6.899 1.00 0.00 H new ATOM 598 N THR A 39 10.027 11.309 -2.595 1.00 0.00 N ATOM 599 CA THR A 39 8.656 11.082 -2.158 1.00 0.00 C ATOM 600 C THR A 39 8.104 12.298 -1.424 1.00 0.00 C ATOM 601 O THR A 39 6.935 12.653 -1.579 1.00 0.00 O ATOM 602 CB THR A 39 8.556 9.852 -1.236 1.00 0.00 C ATOM 603 OG1 THR A 39 8.848 8.660 -1.976 1.00 0.00 O ATOM 604 CG2 THR A 39 7.168 9.746 -0.623 1.00 0.00 C ATOM 0 H THR A 39 10.716 10.700 -2.154 1.00 0.00 H new ATOM 0 HA THR A 39 8.064 10.903 -3.056 1.00 0.00 H new ATOM 0 HB THR A 39 9.283 9.968 -0.432 1.00 0.00 H new ATOM 0 HG1 THR A 39 8.631 7.875 -1.431 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.122 8.870 0.024 1.00 0.00 H new ATOM 0 HG22 THR A 39 6.960 10.641 -0.037 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.426 9.651 -1.416 1.00 0.00 H new ATOM 612 N LYS A 40 8.952 12.936 -0.625 1.00 0.00 N ATOM 613 CA LYS A 40 8.550 14.115 0.133 1.00 0.00 C ATOM 614 C LYS A 40 8.029 15.208 -0.796 1.00 0.00 C ATOM 615 O LYS A 40 7.100 15.937 -0.451 1.00 0.00 O ATOM 616 CB LYS A 40 9.729 14.647 0.951 1.00 0.00 C ATOM 617 CG LYS A 40 10.933 15.027 0.107 1.00 0.00 C ATOM 618 CD LYS A 40 11.990 15.742 0.933 1.00 0.00 C ATOM 619 CE LYS A 40 11.460 17.049 1.504 1.00 0.00 C ATOM 620 NZ LYS A 40 12.560 18.006 1.812 1.00 0.00 N ATOM 0 H LYS A 40 9.923 12.656 -0.485 1.00 0.00 H new ATOM 0 HA LYS A 40 7.747 13.824 0.810 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.403 15.519 1.517 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.028 13.890 1.676 1.00 0.00 H new ATOM 0 HG2 LYS A 40 11.363 14.130 -0.339 1.00 0.00 H new ATOM 0 HG3 LYS A 40 10.615 15.670 -0.714 1.00 0.00 H new ATOM 0 HD2 LYS A 40 12.317 15.094 1.746 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.864 15.942 0.313 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.772 17.504 0.792 1.00 0.00 H new ATOM 0 HE3 LYS A 40 10.891 16.845 2.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 12.158 18.884 2.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 13.203 17.582 2.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 13.087 18.221 0.942 1.00 0.00 H new ATOM 634 N MET A 41 8.634 15.313 -1.975 1.00 0.00 N ATOM 635 CA MET A 41 8.228 16.314 -2.954 1.00 0.00 C ATOM 636 C MET A 41 6.897 15.938 -3.597 1.00 0.00 C ATOM 637 O MET A 41 6.043 16.795 -3.828 1.00 0.00 O ATOM 638 CB MET A 41 9.302 16.470 -4.032 1.00 0.00 C ATOM 639 CG MET A 41 10.557 17.174 -3.541 1.00 0.00 C ATOM 640 SD MET A 41 11.532 17.874 -4.888 1.00 0.00 S ATOM 641 CE MET A 41 11.836 16.415 -5.880 1.00 0.00 C ATOM 0 H MET A 41 9.406 14.718 -2.275 1.00 0.00 H new ATOM 0 HA MET A 41 8.105 17.264 -2.434 1.00 0.00 H new ATOM 0 HB2 MET A 41 9.572 15.484 -4.410 1.00 0.00 H new ATOM 0 HB3 MET A 41 8.886 17.029 -4.870 1.00 0.00 H new ATOM 0 HG2 MET A 41 10.276 17.969 -2.850 1.00 0.00 H new ATOM 0 HG3 MET A 41 11.171 16.467 -2.982 1.00 0.00 H new ATOM 0 HE1 MET A 41 12.635 16.620 -6.593 1.00 0.00 H new ATOM 0 HE2 MET A 41 12.131 15.589 -5.232 1.00 0.00 H new ATOM 0 HE3 MET A 41 10.928 16.146 -6.420 1.00 0.00 H new ATOM 651 N LEU A 42 6.727 14.653 -3.885 1.00 0.00 N ATOM 652 CA LEU A 42 5.499 14.162 -4.503 1.00 0.00 C ATOM 653 C LEU A 42 4.314 14.318 -3.555 1.00 0.00 C ATOM 654 O LEU A 42 3.225 14.715 -3.967 1.00 0.00 O ATOM 655 CB LEU A 42 5.658 12.695 -4.903 1.00 0.00 C ATOM 656 CG LEU A 42 6.825 12.376 -5.837 1.00 0.00 C ATOM 657 CD1 LEU A 42 7.044 10.873 -5.924 1.00 0.00 C ATOM 658 CD2 LEU A 42 6.577 12.962 -7.220 1.00 0.00 C ATOM 0 H LEU A 42 7.424 13.931 -3.701 1.00 0.00 H new ATOM 0 HA LEU A 42 5.307 14.756 -5.396 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.773 12.102 -3.995 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.735 12.368 -5.383 1.00 0.00 H new ATOM 0 HG LEU A 42 7.727 12.831 -5.428 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.879 10.665 -6.593 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.268 10.480 -4.932 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.143 10.396 -6.309 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.418 12.725 -7.872 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.664 12.537 -7.637 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.471 14.044 -7.143 1.00 0.00 H new ATOM 670 N GLY A 43 4.535 14.005 -2.282 1.00 0.00 N ATOM 671 CA GLY A 43 3.476 14.119 -1.295 1.00 0.00 C ATOM 672 C GLY A 43 2.781 15.465 -1.344 1.00 0.00 C ATOM 673 O GLY A 43 1.552 15.536 -1.370 1.00 0.00 O ATOM 0 H GLY A 43 5.428 13.675 -1.916 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.743 13.329 -1.460 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.893 13.965 -0.300 1.00 0.00 H new ATOM 677 N ALA A 44 3.567 16.535 -1.354 1.00 0.00 N ATOM 678 CA ALA A 44 3.019 17.886 -1.400 1.00 0.00 C ATOM 679 C ALA A 44 2.105 18.066 -2.606 1.00 0.00 C ATOM 680 O ALA A 44 1.043 18.679 -2.505 1.00 0.00 O ATOM 681 CB ALA A 44 4.143 18.910 -1.429 1.00 0.00 C ATOM 0 H ALA A 44 4.586 16.494 -1.331 1.00 0.00 H new ATOM 0 HA ALA A 44 2.424 18.042 -0.500 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.720 19.914 -1.463 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.755 18.804 -0.533 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.761 18.747 -2.312 1.00 0.00 H new ATOM 687 N GLU A 45 2.524 17.528 -3.747 1.00 0.00 N ATOM 688 CA GLU A 45 1.743 17.633 -4.974 1.00 0.00 C ATOM 689 C GLU A 45 0.375 16.977 -4.804 1.00 0.00 C ATOM 690 O GLU A 45 -0.636 17.493 -5.280 1.00 0.00 O ATOM 691 CB GLU A 45 2.491 16.982 -6.139 1.00 0.00 C ATOM 692 CG GLU A 45 3.831 17.631 -6.440 1.00 0.00 C ATOM 693 CD GLU A 45 3.695 18.882 -7.288 1.00 0.00 C ATOM 694 OE1 GLU A 45 3.209 18.771 -8.433 1.00 0.00 O ATOM 695 OE2 GLU A 45 4.076 19.969 -6.807 1.00 0.00 O ATOM 0 H GLU A 45 3.400 17.015 -3.847 1.00 0.00 H new ATOM 0 HA GLU A 45 1.596 18.691 -5.192 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.650 15.927 -5.914 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.866 17.027 -7.031 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.327 17.884 -5.503 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.470 16.914 -6.956 1.00 0.00 H new ATOM 702 N TRP A 46 0.352 15.837 -4.123 1.00 0.00 N ATOM 703 CA TRP A 46 -0.890 15.111 -3.890 1.00 0.00 C ATOM 704 C TRP A 46 -1.913 15.992 -3.181 1.00 0.00 C ATOM 705 O TRP A 46 -3.108 15.926 -3.468 1.00 0.00 O ATOM 706 CB TRP A 46 -0.622 13.853 -3.062 1.00 0.00 C ATOM 707 CG TRP A 46 -1.873 13.172 -2.593 1.00 0.00 C ATOM 708 CD1 TRP A 46 -2.373 13.162 -1.323 1.00 0.00 C ATOM 709 CD2 TRP A 46 -2.780 12.402 -3.391 1.00 0.00 C ATOM 710 NE1 TRP A 46 -3.537 12.432 -1.281 1.00 0.00 N ATOM 711 CE2 TRP A 46 -3.808 11.956 -2.537 1.00 0.00 C ATOM 712 CE3 TRP A 46 -2.825 12.048 -4.741 1.00 0.00 C ATOM 713 CZ2 TRP A 46 -4.866 11.173 -2.993 1.00 0.00 C ATOM 714 CZ3 TRP A 46 -3.875 11.271 -5.191 1.00 0.00 C ATOM 715 CH2 TRP A 46 -4.884 10.841 -4.321 1.00 0.00 C ATOM 0 H TRP A 46 1.180 15.396 -3.723 1.00 0.00 H new ATOM 0 HA TRP A 46 -1.298 14.821 -4.858 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -0.037 13.152 -3.658 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -0.015 14.119 -2.196 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -1.920 13.655 -0.475 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -4.106 12.271 -0.450 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -2.053 12.376 -5.421 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -5.644 10.840 -2.323 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -3.918 10.990 -6.233 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -5.692 10.236 -4.705 1.00 0.00 H new ATOM 726 N SER A 47 -1.434 16.819 -2.256 1.00 0.00 N ATOM 727 CA SER A 47 -2.308 17.712 -1.504 1.00 0.00 C ATOM 728 C SER A 47 -2.709 18.918 -2.348 1.00 0.00 C ATOM 729 O SER A 47 -3.760 19.521 -2.131 1.00 0.00 O ATOM 730 CB SER A 47 -1.614 18.179 -0.223 1.00 0.00 C ATOM 731 OG SER A 47 -2.376 19.176 0.434 1.00 0.00 O ATOM 0 H SER A 47 -0.447 16.889 -2.010 1.00 0.00 H new ATOM 0 HA SER A 47 -3.210 17.160 -1.240 1.00 0.00 H new ATOM 0 HB2 SER A 47 -1.467 17.330 0.445 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.626 18.571 -0.463 1.00 0.00 H new ATOM 0 HG SER A 47 -1.912 19.457 1.250 1.00 0.00 H new ATOM 737 N LYS A 48 -1.862 19.264 -3.313 1.00 0.00 N ATOM 738 CA LYS A 48 -2.127 20.397 -4.191 1.00 0.00 C ATOM 739 C LYS A 48 -2.800 19.939 -5.481 1.00 0.00 C ATOM 740 O LYS A 48 -2.994 20.730 -6.406 1.00 0.00 O ATOM 741 CB LYS A 48 -0.824 21.130 -4.517 1.00 0.00 C ATOM 742 CG LYS A 48 -0.170 21.776 -3.306 1.00 0.00 C ATOM 743 CD LYS A 48 1.031 22.617 -3.702 1.00 0.00 C ATOM 744 CE LYS A 48 2.161 21.756 -4.244 1.00 0.00 C ATOM 745 NZ LYS A 48 2.027 21.522 -5.709 1.00 0.00 N ATOM 0 H LYS A 48 -0.987 18.776 -3.506 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.801 21.078 -3.672 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.123 20.426 -4.966 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.026 21.898 -5.264 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.898 22.401 -2.789 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.142 21.003 -2.604 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.733 23.345 -4.456 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.383 23.179 -2.837 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.116 22.240 -4.039 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.170 20.799 -3.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.965 21.339 -6.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.411 20.701 -5.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.611 22.363 -6.158 1.00 0.00 H new ATOM 759 N LEU A 49 -3.155 18.660 -5.536 1.00 0.00 N ATOM 760 CA LEU A 49 -3.809 18.098 -6.712 1.00 0.00 C ATOM 761 C LEU A 49 -5.206 18.683 -6.892 1.00 0.00 C ATOM 762 O LEU A 49 -5.710 19.387 -6.017 1.00 0.00 O ATOM 763 CB LEU A 49 -3.892 16.574 -6.595 1.00 0.00 C ATOM 764 CG LEU A 49 -2.705 15.792 -7.157 1.00 0.00 C ATOM 765 CD1 LEU A 49 -2.907 14.298 -6.954 1.00 0.00 C ATOM 766 CD2 LEU A 49 -2.508 16.109 -8.632 1.00 0.00 C ATOM 0 H LEU A 49 -3.001 17.993 -4.780 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.212 18.357 -7.587 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.005 16.316 -5.542 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.796 16.239 -7.104 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.807 16.094 -6.618 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.052 13.757 -7.360 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.999 14.085 -5.889 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.815 13.981 -7.467 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.659 15.543 -9.015 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.406 15.835 -9.186 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.318 17.175 -8.753 1.00 0.00 H new ATOM 778 N GLN A 50 -5.826 18.384 -8.028 1.00 0.00 N ATOM 779 CA GLN A 50 -7.165 18.880 -8.320 1.00 0.00 C ATOM 780 C GLN A 50 -8.227 17.911 -7.812 1.00 0.00 C ATOM 781 O GLN A 50 -7.963 16.733 -7.570 1.00 0.00 O ATOM 782 CB GLN A 50 -7.336 19.097 -9.826 1.00 0.00 C ATOM 783 CG GLN A 50 -6.907 20.478 -10.293 1.00 0.00 C ATOM 784 CD GLN A 50 -7.933 21.547 -9.971 1.00 0.00 C ATOM 785 OE1 GLN A 50 -7.949 22.098 -8.870 1.00 0.00 O ATOM 786 NE2 GLN A 50 -8.798 21.847 -10.933 1.00 0.00 N ATOM 0 H GLN A 50 -5.423 17.801 -8.761 1.00 0.00 H new ATOM 0 HA GLN A 50 -7.291 19.833 -7.806 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.756 18.345 -10.361 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.382 18.941 -10.091 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -5.958 20.738 -9.824 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.735 20.457 -11.369 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -8.749 21.366 -11.831 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -9.511 22.559 -10.774 1.00 0.00 H new ATOM 795 N PRO A 51 -9.458 18.416 -7.643 1.00 0.00 N ATOM 796 CA PRO A 51 -10.585 17.611 -7.161 1.00 0.00 C ATOM 797 C PRO A 51 -11.042 16.581 -8.187 1.00 0.00 C ATOM 798 O PRO A 51 -11.991 15.833 -7.950 1.00 0.00 O ATOM 799 CB PRO A 51 -11.684 18.649 -6.919 1.00 0.00 C ATOM 800 CG PRO A 51 -11.347 19.778 -7.831 1.00 0.00 C ATOM 801 CD PRO A 51 -9.845 19.811 -7.911 1.00 0.00 C ATOM 0 HA PRO A 51 -10.323 17.032 -6.275 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -12.670 18.241 -7.142 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -11.701 18.972 -5.878 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -11.787 19.628 -8.817 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -11.738 20.720 -7.447 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -9.502 20.142 -8.891 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -9.418 20.494 -7.177 1.00 0.00 H new ATOM 809 N ALA A 52 -10.362 16.548 -9.329 1.00 0.00 N ATOM 810 CA ALA A 52 -10.698 15.606 -10.390 1.00 0.00 C ATOM 811 C ALA A 52 -9.602 14.561 -10.564 1.00 0.00 C ATOM 812 O ALA A 52 -9.881 13.398 -10.854 1.00 0.00 O ATOM 813 CB ALA A 52 -10.935 16.348 -11.698 1.00 0.00 C ATOM 0 H ALA A 52 -9.576 17.162 -9.543 1.00 0.00 H new ATOM 0 HA ALA A 52 -11.615 15.089 -10.106 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -11.185 15.633 -12.482 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -11.758 17.052 -11.573 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -10.032 16.891 -11.977 1.00 0.00 H new ATOM 819 N GLU A 53 -8.354 14.983 -10.385 1.00 0.00 N ATOM 820 CA GLU A 53 -7.216 14.082 -10.524 1.00 0.00 C ATOM 821 C GLU A 53 -7.033 13.239 -9.265 1.00 0.00 C ATOM 822 O GLU A 53 -6.969 12.011 -9.329 1.00 0.00 O ATOM 823 CB GLU A 53 -5.940 14.876 -10.809 1.00 0.00 C ATOM 824 CG GLU A 53 -6.049 15.791 -12.016 1.00 0.00 C ATOM 825 CD GLU A 53 -6.497 15.058 -13.266 1.00 0.00 C ATOM 826 OE1 GLU A 53 -5.793 14.114 -13.683 1.00 0.00 O ATOM 827 OE2 GLU A 53 -7.549 15.427 -13.826 1.00 0.00 O ATOM 0 H GLU A 53 -8.106 15.942 -10.144 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.414 13.414 -11.362 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.691 15.474 -9.932 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.116 14.180 -10.965 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.754 16.592 -11.797 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.082 16.259 -12.201 1.00 0.00 H new ATOM 834 N LYS A 54 -6.948 13.906 -8.120 1.00 0.00 N ATOM 835 CA LYS A 54 -6.773 13.221 -6.844 1.00 0.00 C ATOM 836 C LYS A 54 -7.827 12.134 -6.662 1.00 0.00 C ATOM 837 O LYS A 54 -7.520 11.029 -6.215 1.00 0.00 O ATOM 838 CB LYS A 54 -6.852 14.222 -5.689 1.00 0.00 C ATOM 839 CG LYS A 54 -6.230 13.713 -4.400 1.00 0.00 C ATOM 840 CD LYS A 54 -6.745 14.478 -3.193 1.00 0.00 C ATOM 841 CE LYS A 54 -5.722 14.497 -2.067 1.00 0.00 C ATOM 842 NZ LYS A 54 -5.985 15.594 -1.096 1.00 0.00 N ATOM 0 H LYS A 54 -6.997 14.922 -8.049 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.789 12.752 -6.843 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.352 15.145 -5.984 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -7.897 14.470 -5.505 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.452 12.652 -4.282 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.146 13.807 -4.456 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -6.986 15.500 -3.484 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.669 14.021 -2.839 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.738 13.540 -1.546 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.723 14.615 -2.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.266 15.572 -0.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.945 16.510 -1.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.928 15.467 -0.676 1.00 0.00 H new ATOM 856 N GLN A 55 -9.068 12.454 -7.012 1.00 0.00 N ATOM 857 CA GLN A 55 -10.166 11.504 -6.887 1.00 0.00 C ATOM 858 C GLN A 55 -10.009 10.357 -7.881 1.00 0.00 C ATOM 859 O GLN A 55 -10.149 9.188 -7.521 1.00 0.00 O ATOM 860 CB GLN A 55 -11.506 12.208 -7.111 1.00 0.00 C ATOM 861 CG GLN A 55 -12.711 11.333 -6.802 1.00 0.00 C ATOM 862 CD GLN A 55 -12.931 11.147 -5.314 1.00 0.00 C ATOM 863 OE1 GLN A 55 -12.281 11.794 -4.493 1.00 0.00 O ATOM 864 NE2 GLN A 55 -13.851 10.258 -4.959 1.00 0.00 N ATOM 0 H GLN A 55 -9.338 13.364 -7.385 1.00 0.00 H new ATOM 0 HA GLN A 55 -10.144 11.093 -5.878 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -11.547 13.101 -6.488 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -11.564 12.540 -8.148 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -13.602 11.779 -7.244 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -12.577 10.358 -7.270 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -14.366 9.744 -5.674 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -14.043 10.089 -3.972 1.00 0.00 H new ATOM 873 N ARG A 56 -9.717 10.699 -9.131 1.00 0.00 N ATOM 874 CA ARG A 56 -9.542 9.698 -10.176 1.00 0.00 C ATOM 875 C ARG A 56 -8.516 8.648 -9.758 1.00 0.00 C ATOM 876 O ARG A 56 -8.650 7.469 -10.087 1.00 0.00 O ATOM 877 CB ARG A 56 -9.103 10.364 -11.482 1.00 0.00 C ATOM 878 CG ARG A 56 -8.867 9.382 -12.617 1.00 0.00 C ATOM 879 CD ARG A 56 -7.890 9.939 -13.641 1.00 0.00 C ATOM 880 NE ARG A 56 -7.972 9.232 -14.916 1.00 0.00 N ATOM 881 CZ ARG A 56 -7.312 9.605 -16.008 1.00 0.00 C ATOM 882 NH1 ARG A 56 -6.526 10.671 -15.978 1.00 0.00 N ATOM 883 NH2 ARG A 56 -7.438 8.909 -17.130 1.00 0.00 N ATOM 0 H ARG A 56 -9.597 11.662 -9.445 1.00 0.00 H new ATOM 0 HA ARG A 56 -10.500 9.202 -10.333 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.864 11.083 -11.787 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.187 10.926 -11.303 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.480 8.446 -12.215 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -9.815 9.152 -13.104 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.095 10.998 -13.800 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -6.875 9.866 -13.251 1.00 0.00 H new ATOM 0 HE ARG A 56 -8.569 8.407 -14.972 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -6.426 11.207 -15.116 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -6.020 10.956 -16.817 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -8.042 8.087 -17.155 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -6.931 9.196 -17.968 1.00 0.00 H new ATOM 897 N TYR A 57 -7.494 9.086 -9.032 1.00 0.00 N ATOM 898 CA TYR A 57 -6.443 8.185 -8.572 1.00 0.00 C ATOM 899 C TYR A 57 -7.001 7.151 -7.598 1.00 0.00 C ATOM 900 O TYR A 57 -6.705 5.960 -7.702 1.00 0.00 O ATOM 901 CB TYR A 57 -5.320 8.978 -7.901 1.00 0.00 C ATOM 902 CG TYR A 57 -4.328 9.567 -8.878 1.00 0.00 C ATOM 903 CD1 TYR A 57 -3.700 8.769 -9.827 1.00 0.00 C ATOM 904 CD2 TYR A 57 -4.019 10.921 -8.853 1.00 0.00 C ATOM 905 CE1 TYR A 57 -2.792 9.302 -10.721 1.00 0.00 C ATOM 906 CE2 TYR A 57 -3.112 11.463 -9.744 1.00 0.00 C ATOM 907 CZ TYR A 57 -2.502 10.650 -10.676 1.00 0.00 C ATOM 908 OH TYR A 57 -1.599 11.185 -11.566 1.00 0.00 O ATOM 0 H TYR A 57 -7.370 10.058 -8.749 1.00 0.00 H new ATOM 0 HA TYR A 57 -6.042 7.662 -9.440 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -5.758 9.783 -7.311 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -4.790 8.325 -7.207 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -3.926 7.714 -9.866 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -4.495 11.561 -8.125 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -2.312 8.667 -11.451 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -2.882 12.518 -9.710 1.00 0.00 H new ATOM 0 HH TYR A 57 -1.508 12.147 -11.401 1.00 0.00 H new ATOM 918 N LEU A 58 -7.811 7.613 -6.653 1.00 0.00 N ATOM 919 CA LEU A 58 -8.412 6.729 -5.661 1.00 0.00 C ATOM 920 C LEU A 58 -9.201 5.612 -6.334 1.00 0.00 C ATOM 921 O LEU A 58 -8.964 4.430 -6.078 1.00 0.00 O ATOM 922 CB LEU A 58 -9.328 7.524 -4.728 1.00 0.00 C ATOM 923 CG LEU A 58 -8.749 8.824 -4.167 1.00 0.00 C ATOM 924 CD1 LEU A 58 -9.770 9.526 -3.285 1.00 0.00 C ATOM 925 CD2 LEU A 58 -7.472 8.546 -3.388 1.00 0.00 C ATOM 0 H LEU A 58 -8.067 8.595 -6.552 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.608 6.281 -5.077 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -10.245 7.761 -5.267 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -9.606 6.883 -3.892 1.00 0.00 H new ATOM 0 HG LEU A 58 -8.507 9.481 -5.002 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -9.341 10.449 -2.895 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.659 9.759 -3.872 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -10.044 8.874 -2.455 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -7.074 9.482 -2.996 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -7.690 7.870 -2.561 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.736 8.087 -4.048 1.00 0.00 H new ATOM 937 N ASP A 59 -10.137 5.992 -7.197 1.00 0.00 N ATOM 938 CA ASP A 59 -10.959 5.021 -7.910 1.00 0.00 C ATOM 939 C ASP A 59 -10.088 4.032 -8.678 1.00 0.00 C ATOM 940 O ASP A 59 -10.171 2.822 -8.466 1.00 0.00 O ATOM 941 CB ASP A 59 -11.911 5.735 -8.871 1.00 0.00 C ATOM 942 CG ASP A 59 -13.178 4.943 -9.125 1.00 0.00 C ATOM 943 OD1 ASP A 59 -13.106 3.696 -9.144 1.00 0.00 O ATOM 944 OD2 ASP A 59 -14.243 5.571 -9.306 1.00 0.00 O ATOM 0 H ASP A 59 -10.345 6.965 -7.420 1.00 0.00 H new ATOM 0 HA ASP A 59 -11.544 4.468 -7.175 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -12.172 6.711 -8.461 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -11.401 5.913 -9.818 1.00 0.00 H new ATOM 949 N GLU A 60 -9.254 4.555 -9.572 1.00 0.00 N ATOM 950 CA GLU A 60 -8.371 3.717 -10.373 1.00 0.00 C ATOM 951 C GLU A 60 -7.738 2.621 -9.519 1.00 0.00 C ATOM 952 O GLU A 60 -7.689 1.458 -9.919 1.00 0.00 O ATOM 953 CB GLU A 60 -7.275 4.566 -11.023 1.00 0.00 C ATOM 954 CG GLU A 60 -7.727 5.277 -12.287 1.00 0.00 C ATOM 955 CD GLU A 60 -6.568 5.673 -13.180 1.00 0.00 C ATOM 956 OE1 GLU A 60 -5.433 5.774 -12.669 1.00 0.00 O ATOM 957 OE2 GLU A 60 -6.795 5.882 -14.391 1.00 0.00 O ATOM 0 H GLU A 60 -9.172 5.554 -9.759 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.969 3.247 -11.154 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.927 5.307 -10.304 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.424 3.927 -11.260 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.403 4.627 -12.843 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.293 6.168 -12.015 1.00 0.00 H new ATOM 964 N ALA A 61 -7.257 3.001 -8.340 1.00 0.00 N ATOM 965 CA ALA A 61 -6.629 2.051 -7.429 1.00 0.00 C ATOM 966 C ALA A 61 -7.650 1.060 -6.883 1.00 0.00 C ATOM 967 O ALA A 61 -7.397 -0.144 -6.839 1.00 0.00 O ATOM 968 CB ALA A 61 -5.944 2.789 -6.289 1.00 0.00 C ATOM 0 H ALA A 61 -7.290 3.960 -7.993 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.879 1.490 -7.986 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -5.479 2.068 -5.616 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -5.180 3.454 -6.693 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.681 3.375 -5.740 1.00 0.00 H new ATOM 974 N GLU A 62 -8.803 1.573 -6.465 1.00 0.00 N ATOM 975 CA GLU A 62 -9.861 0.731 -5.919 1.00 0.00 C ATOM 976 C GLU A 62 -10.095 -0.490 -6.805 1.00 0.00 C ATOM 977 O GLU A 62 -9.928 -1.629 -6.369 1.00 0.00 O ATOM 978 CB GLU A 62 -11.158 1.530 -5.779 1.00 0.00 C ATOM 979 CG GLU A 62 -11.220 2.373 -4.517 1.00 0.00 C ATOM 980 CD GLU A 62 -12.598 2.957 -4.272 1.00 0.00 C ATOM 981 OE1 GLU A 62 -13.120 3.643 -5.176 1.00 0.00 O ATOM 982 OE2 GLU A 62 -13.154 2.728 -3.177 1.00 0.00 O ATOM 0 H GLU A 62 -9.028 2.567 -6.494 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.546 0.389 -4.933 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -11.269 2.181 -6.646 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -12.002 0.841 -5.787 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -10.931 1.762 -3.662 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -10.494 3.183 -4.590 1.00 0.00 H new ATOM 989 N LYS A 63 -10.484 -0.243 -8.051 1.00 0.00 N ATOM 990 CA LYS A 63 -10.741 -1.320 -9.000 1.00 0.00 C ATOM 991 C LYS A 63 -9.632 -2.366 -8.950 1.00 0.00 C ATOM 992 O LYS A 63 -9.897 -3.555 -8.772 1.00 0.00 O ATOM 993 CB LYS A 63 -10.864 -0.759 -10.419 1.00 0.00 C ATOM 994 CG LYS A 63 -12.241 -0.205 -10.737 1.00 0.00 C ATOM 995 CD LYS A 63 -13.211 -1.310 -11.120 1.00 0.00 C ATOM 996 CE LYS A 63 -12.949 -1.817 -12.530 1.00 0.00 C ATOM 997 NZ LYS A 63 -14.004 -2.766 -12.984 1.00 0.00 N ATOM 0 H LYS A 63 -10.628 0.694 -8.428 1.00 0.00 H new ATOM 0 HA LYS A 63 -11.680 -1.798 -8.722 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -10.124 0.030 -10.554 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -10.624 -1.546 -11.134 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -12.626 0.335 -9.872 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -12.166 0.514 -11.553 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -13.122 -2.135 -10.413 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -14.233 -0.939 -11.050 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -12.901 -0.972 -13.217 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -11.978 -2.311 -12.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -13.789 -3.088 -13.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -14.033 -3.585 -12.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -14.928 -2.288 -12.976 1.00 0.00 H new ATOM 1011 N GLU A 64 -8.392 -1.916 -9.106 1.00 0.00 N ATOM 1012 CA GLU A 64 -7.244 -2.814 -9.077 1.00 0.00 C ATOM 1013 C GLU A 64 -7.317 -3.752 -7.875 1.00 0.00 C ATOM 1014 O GLU A 64 -7.105 -4.958 -8.002 1.00 0.00 O ATOM 1015 CB GLU A 64 -5.941 -2.012 -9.035 1.00 0.00 C ATOM 1016 CG GLU A 64 -5.714 -1.153 -10.268 1.00 0.00 C ATOM 1017 CD GLU A 64 -5.201 -1.952 -11.449 1.00 0.00 C ATOM 1018 OE1 GLU A 64 -4.026 -2.371 -11.418 1.00 0.00 O ATOM 1019 OE2 GLU A 64 -5.977 -2.158 -12.406 1.00 0.00 O ATOM 0 H GLU A 64 -8.156 -0.935 -9.254 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.262 -3.415 -9.986 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.947 -1.372 -8.153 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.104 -2.701 -8.924 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.649 -0.665 -10.543 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.000 -0.364 -10.030 1.00 0.00 H new ATOM 1026 N LYS A 65 -7.617 -3.188 -6.711 1.00 0.00 N ATOM 1027 CA LYS A 65 -7.719 -3.971 -5.485 1.00 0.00 C ATOM 1028 C LYS A 65 -8.464 -5.279 -5.735 1.00 0.00 C ATOM 1029 O LYS A 65 -7.940 -6.361 -5.476 1.00 0.00 O ATOM 1030 CB LYS A 65 -8.433 -3.165 -4.398 1.00 0.00 C ATOM 1031 CG LYS A 65 -8.424 -3.838 -3.037 1.00 0.00 C ATOM 1032 CD LYS A 65 -8.965 -2.917 -1.955 1.00 0.00 C ATOM 1033 CE LYS A 65 -10.469 -2.732 -2.081 1.00 0.00 C ATOM 1034 NZ LYS A 65 -11.039 -2.002 -0.915 1.00 0.00 N ATOM 0 H LYS A 65 -7.794 -2.191 -6.590 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.709 -4.207 -5.149 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -7.960 -2.187 -4.313 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -9.466 -2.995 -4.703 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -9.024 -4.747 -3.076 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -7.407 -4.138 -2.785 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -8.729 -3.329 -0.974 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.471 -1.947 -2.021 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -10.692 -2.184 -2.996 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -10.949 -3.707 -2.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -12.066 -1.897 -1.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -10.849 -2.537 -0.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -10.600 -1.062 -0.846 1.00 0.00 H new ATOM 1048 N GLN A 66 -9.689 -5.169 -6.240 1.00 0.00 N ATOM 1049 CA GLN A 66 -10.504 -6.344 -6.526 1.00 0.00 C ATOM 1050 C GLN A 66 -9.655 -7.468 -7.109 1.00 0.00 C ATOM 1051 O GLN A 66 -9.535 -8.538 -6.513 1.00 0.00 O ATOM 1052 CB GLN A 66 -11.631 -5.984 -7.496 1.00 0.00 C ATOM 1053 CG GLN A 66 -12.707 -5.104 -6.880 1.00 0.00 C ATOM 1054 CD GLN A 66 -13.362 -4.187 -7.894 1.00 0.00 C ATOM 1055 OE1 GLN A 66 -13.812 -4.632 -8.951 1.00 0.00 O ATOM 1056 NE2 GLN A 66 -13.419 -2.899 -7.579 1.00 0.00 N ATOM 0 H GLN A 66 -10.138 -4.280 -6.459 1.00 0.00 H new ATOM 0 HA GLN A 66 -10.937 -6.691 -5.588 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -11.206 -5.473 -8.360 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -12.090 -6.902 -7.863 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -13.468 -5.735 -6.421 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -12.268 -4.504 -6.083 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -13.034 -2.573 -6.693 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -13.848 -2.235 -8.223 1.00 0.00 H new ATOM 1065 N GLN A 67 -9.068 -7.217 -8.274 1.00 0.00 N ATOM 1066 CA GLN A 67 -8.230 -8.209 -8.937 1.00 0.00 C ATOM 1067 C GLN A 67 -7.408 -8.994 -7.920 1.00 0.00 C ATOM 1068 O GLN A 67 -7.171 -10.190 -8.089 1.00 0.00 O ATOM 1069 CB GLN A 67 -7.303 -7.532 -9.947 1.00 0.00 C ATOM 1070 CG GLN A 67 -6.935 -8.419 -11.125 1.00 0.00 C ATOM 1071 CD GLN A 67 -6.359 -7.636 -12.288 1.00 0.00 C ATOM 1072 OE1 GLN A 67 -5.219 -7.857 -12.697 1.00 0.00 O ATOM 1073 NE2 GLN A 67 -7.147 -6.713 -12.829 1.00 0.00 N ATOM 0 H GLN A 67 -9.157 -6.335 -8.779 1.00 0.00 H new ATOM 0 HA GLN A 67 -8.883 -8.905 -9.464 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -7.784 -6.628 -10.320 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -6.391 -7.221 -9.438 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -6.210 -9.166 -10.800 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -7.821 -8.959 -11.459 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -8.085 -6.563 -12.458 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -6.814 -6.155 -13.615 1.00 0.00 H new ATOM 1082 N TYR A 68 -6.976 -8.314 -6.864 1.00 0.00 N ATOM 1083 CA TYR A 68 -6.177 -8.947 -5.821 1.00 0.00 C ATOM 1084 C TYR A 68 -7.069 -9.673 -4.818 1.00 0.00 C ATOM 1085 O TYR A 68 -6.783 -10.803 -4.420 1.00 0.00 O ATOM 1086 CB TYR A 68 -5.324 -7.903 -5.099 1.00 0.00 C ATOM 1087 CG TYR A 68 -5.023 -8.257 -3.661 1.00 0.00 C ATOM 1088 CD1 TYR A 68 -5.992 -8.122 -2.674 1.00 0.00 C ATOM 1089 CD2 TYR A 68 -3.770 -8.728 -3.288 1.00 0.00 C ATOM 1090 CE1 TYR A 68 -5.720 -8.443 -1.358 1.00 0.00 C ATOM 1091 CE2 TYR A 68 -3.491 -9.054 -1.975 1.00 0.00 C ATOM 1092 CZ TYR A 68 -4.469 -8.910 -1.013 1.00 0.00 C ATOM 1093 OH TYR A 68 -4.196 -9.233 0.296 1.00 0.00 O ATOM 0 H TYR A 68 -7.166 -7.324 -6.707 1.00 0.00 H new ATOM 0 HA TYR A 68 -5.521 -9.678 -6.294 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -4.385 -7.778 -5.638 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -5.839 -6.943 -5.128 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -6.974 -7.760 -2.940 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -3.001 -8.841 -4.038 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -6.484 -8.329 -0.603 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -2.512 -9.420 -1.703 1.00 0.00 H new ATOM 0 HH TYR A 68 -3.271 -9.547 0.369 1.00 0.00 H new ATOM 1103 N LEU A 69 -8.152 -9.017 -4.416 1.00 0.00 N ATOM 1104 CA LEU A 69 -9.087 -9.599 -3.460 1.00 0.00 C ATOM 1105 C LEU A 69 -9.514 -10.997 -3.897 1.00 0.00 C ATOM 1106 O LEU A 69 -9.350 -11.968 -3.157 1.00 0.00 O ATOM 1107 CB LEU A 69 -10.317 -8.702 -3.309 1.00 0.00 C ATOM 1108 CG LEU A 69 -10.200 -7.568 -2.289 1.00 0.00 C ATOM 1109 CD1 LEU A 69 -11.222 -6.480 -2.581 1.00 0.00 C ATOM 1110 CD2 LEU A 69 -10.377 -8.102 -0.876 1.00 0.00 C ATOM 0 H LEU A 69 -8.404 -8.082 -4.737 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.582 -9.678 -2.497 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -10.546 -8.267 -4.282 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -11.166 -9.327 -3.032 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.204 -7.134 -2.370 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -11.124 -5.682 -1.845 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -11.049 -6.077 -3.579 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -12.226 -6.901 -2.528 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.291 -7.282 -0.164 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -11.360 -8.563 -0.782 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.607 -8.845 -0.669 1.00 0.00 H new ATOM 1122 N LYS A 70 -10.060 -11.093 -5.104 1.00 0.00 N ATOM 1123 CA LYS A 70 -10.507 -12.371 -5.643 1.00 0.00 C ATOM 1124 C LYS A 70 -9.418 -13.431 -5.504 1.00 0.00 C ATOM 1125 O LYS A 70 -9.599 -14.431 -4.811 1.00 0.00 O ATOM 1126 CB LYS A 70 -10.900 -12.219 -7.114 1.00 0.00 C ATOM 1127 CG LYS A 70 -12.163 -11.402 -7.325 1.00 0.00 C ATOM 1128 CD LYS A 70 -12.475 -11.228 -8.803 1.00 0.00 C ATOM 1129 CE LYS A 70 -13.542 -10.168 -9.026 1.00 0.00 C ATOM 1130 NZ LYS A 70 -13.006 -8.792 -8.829 1.00 0.00 N ATOM 0 H LYS A 70 -10.204 -10.299 -5.728 1.00 0.00 H new ATOM 0 HA LYS A 70 -11.378 -12.692 -5.072 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.078 -11.748 -7.654 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -11.041 -13.209 -7.548 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -13.001 -11.893 -6.831 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -12.046 -10.423 -6.859 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -11.567 -10.950 -9.337 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -12.811 -12.178 -9.219 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -13.941 -10.261 -10.036 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -14.371 -10.337 -8.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -13.725 -8.203 -8.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -12.153 -8.833 -8.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -12.766 -8.377 -9.752 1.00 0.00 H new ATOM 1144 N GLU A 71 -8.288 -13.203 -6.165 1.00 0.00 N ATOM 1145 CA GLU A 71 -7.171 -14.138 -6.113 1.00 0.00 C ATOM 1146 C GLU A 71 -6.960 -14.654 -4.693 1.00 0.00 C ATOM 1147 O GLU A 71 -6.991 -15.861 -4.448 1.00 0.00 O ATOM 1148 CB GLU A 71 -5.892 -13.469 -6.621 1.00 0.00 C ATOM 1149 CG GLU A 71 -5.672 -13.630 -8.115 1.00 0.00 C ATOM 1150 CD GLU A 71 -5.244 -15.034 -8.493 1.00 0.00 C ATOM 1151 OE1 GLU A 71 -4.230 -15.513 -7.944 1.00 0.00 O ATOM 1152 OE2 GLU A 71 -5.923 -15.655 -9.338 1.00 0.00 O ATOM 0 H GLU A 71 -8.122 -12.379 -6.743 1.00 0.00 H new ATOM 0 HA GLU A 71 -7.409 -14.985 -6.757 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -5.928 -12.407 -6.380 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -5.037 -13.888 -6.089 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -6.592 -13.380 -8.643 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -4.913 -12.921 -8.445 1.00 0.00 H new ATOM 1159 N LEU A 72 -6.742 -13.733 -3.762 1.00 0.00 N ATOM 1160 CA LEU A 72 -6.524 -14.093 -2.365 1.00 0.00 C ATOM 1161 C LEU A 72 -7.311 -15.348 -1.997 1.00 0.00 C ATOM 1162 O LEU A 72 -6.744 -16.433 -1.873 1.00 0.00 O ATOM 1163 CB LEU A 72 -6.930 -12.937 -1.449 1.00 0.00 C ATOM 1164 CG LEU A 72 -6.725 -13.163 0.049 1.00 0.00 C ATOM 1165 CD1 LEU A 72 -5.350 -13.757 0.315 1.00 0.00 C ATOM 1166 CD2 LEU A 72 -6.901 -11.859 0.814 1.00 0.00 C ATOM 0 H LEU A 72 -6.711 -12.731 -3.949 1.00 0.00 H new ATOM 0 HA LEU A 72 -5.462 -14.299 -2.231 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.366 -12.052 -1.743 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.983 -12.716 -1.622 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.478 -13.870 0.397 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.221 -13.911 1.386 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.260 -14.712 -0.202 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -4.582 -13.074 -0.048 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -6.752 -12.039 1.879 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.171 -11.130 0.463 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.907 -11.473 0.649 1.00 0.00 H new