USER MOD reduce.3.24.130724 H: found=0, std=0, add=913, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 914 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 Single : A 9 THR OG1 : rot -120:sc=-0.00539 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -1.37! K(o=-1.4!,f=0) USER MOD Single : A 21 GLN : amide:sc= -0.107 K(o=-0.11,f=-0.61) USER MOD Single : A 27 GLN : amide:sc= -0.434 K(o=-0.43,f=-3!) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot 74:sc= 1.28 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.205 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -4.75! C(o=-4.7!,f=-3.6!) USER MOD Single : A 41 SER OG : rot -84:sc= 0.36 USER MOD Single : A 44 ASN : amide:sc= -0.84 X(o=-0.84,f=-1!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -158:sc= 1.01 (180deg=0.0958) USER MOD Single : A 52 SER OG : rot 180:sc= -0.0902 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.0426 X(o=-0.043,f=-0.37) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 77:sc= 0.657 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 150:sc= -3.53! USER MOD Single : A 81 TYR OH : rot -15:sc= -0.343 USER MOD Single : A 82 TYR OH : rot 180:sc=-0.00399 USER MOD Single : A 84 THR OG1 : rot 79:sc= 0.499 USER MOD Single : A 87 CYS SG : rot 70:sc= -1.28! USER MOD Single : A 88 TYR OH : rot 180:sc=-0.00779 USER MOD Single : A 89 LYS NZ :NH3+ -141:sc= -0.134 (180deg=-1.22) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 MET CE :methyl 159:sc= -0.347 (180deg=-1.75!) USER MOD Single : A 97 LYS NZ :NH3+ -156:sc= -0.107 (180deg=-0.692) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 81:sc= 0.0721 USER MOD Single : A 112 GLN : amide:sc= -1.57 K(o=-1.6,f=-0.87) USER MOD Single : A 117 LYS NZ :NH3+ 161:sc= -0.0263 (180deg=-0.277) USER MOD Single : A 118 SER OG : rot 90:sc= 1.04 USER MOD Single : A 119 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 GLN : amide:sc= -2.75! K(o=-2.7!,f=-0.25) USER MOD ----------------------------------------------------------------- ATOM 128 N PRO A 8 9.194 5.770 -6.119 1.00 0.67 N ATOM 129 CA PRO A 8 8.740 4.957 -7.265 1.00 0.58 C ATOM 130 C PRO A 8 7.387 5.474 -7.777 1.00 0.52 C ATOM 131 O PRO A 8 6.687 6.195 -7.095 1.00 0.58 O ATOM 132 CB PRO A 8 8.621 3.514 -6.714 1.00 0.62 C ATOM 133 CG PRO A 8 9.009 3.555 -5.208 1.00 0.71 C ATOM 134 CD PRO A 8 9.456 4.999 -4.882 1.00 0.75 C ATOM 0 HA PRO A 8 9.428 5.004 -8.110 1.00 0.58 H new ATOM 0 HB2 PRO A 8 7.605 3.139 -6.838 1.00 0.62 H new ATOM 0 HB3 PRO A 8 9.279 2.839 -7.261 1.00 0.62 H new ATOM 0 HG2 PRO A 8 8.162 3.266 -4.586 1.00 0.71 H new ATOM 0 HG3 PRO A 8 9.813 2.849 -5.000 1.00 0.71 H new ATOM 0 HD2 PRO A 8 8.897 5.404 -4.039 1.00 0.75 H new ATOM 0 HD3 PRO A 8 10.511 5.034 -4.611 1.00 0.75 H new ATOM 142 N THR A 9 7.015 5.093 -8.970 1.00 0.48 N ATOM 143 CA THR A 9 5.707 5.539 -9.537 1.00 0.46 C ATOM 144 C THR A 9 4.654 4.462 -9.266 1.00 0.43 C ATOM 145 O THR A 9 4.971 3.311 -9.044 1.00 0.44 O ATOM 146 CB THR A 9 5.853 5.739 -11.056 1.00 0.47 C ATOM 147 OG1 THR A 9 6.764 4.777 -11.569 1.00 0.72 O ATOM 148 CG2 THR A 9 6.378 7.144 -11.353 1.00 0.73 C ATOM 0 H THR A 9 7.564 4.488 -9.581 1.00 0.48 H new ATOM 0 HA THR A 9 5.403 6.478 -9.074 1.00 0.46 H new ATOM 0 HB THR A 9 4.879 5.617 -11.529 1.00 0.47 H new ATOM 0 HG1 THR A 9 7.522 5.235 -11.988 1.00 0.72 H new ATOM 0 HG21 THR A 9 6.478 7.275 -12.431 1.00 0.73 H new ATOM 0 HG22 THR A 9 5.680 7.884 -10.961 1.00 0.73 H new ATOM 0 HG23 THR A 9 7.351 7.276 -10.880 1.00 0.73 H new ATOM 156 N LEU A 10 3.405 4.821 -9.310 1.00 0.41 N ATOM 157 CA LEU A 10 2.347 3.805 -9.084 1.00 0.40 C ATOM 158 C LEU A 10 2.330 2.858 -10.277 1.00 0.39 C ATOM 159 O LEU A 10 1.965 1.707 -10.160 1.00 0.39 O ATOM 160 CB LEU A 10 0.972 4.473 -8.950 1.00 0.41 C ATOM 161 CG LEU A 10 -0.138 3.397 -8.934 1.00 0.37 C ATOM 162 CD1 LEU A 10 0.141 2.348 -7.839 1.00 0.41 C ATOM 163 CD2 LEU A 10 -1.494 4.060 -8.666 1.00 0.41 C ATOM 0 H LEU A 10 3.073 5.768 -9.492 1.00 0.41 H new ATOM 0 HA LEU A 10 2.558 3.263 -8.162 1.00 0.40 H new ATOM 0 HB2 LEU A 10 0.932 5.062 -8.034 1.00 0.41 H new ATOM 0 HB3 LEU A 10 0.811 5.162 -9.779 1.00 0.41 H new ATOM 0 HG LEU A 10 -0.154 2.900 -9.904 1.00 0.37 H new ATOM 0 HD11 LEU A 10 -0.651 1.599 -7.843 1.00 0.41 H new ATOM 0 HD12 LEU A 10 1.099 1.865 -8.033 1.00 0.41 H new ATOM 0 HD13 LEU A 10 0.173 2.838 -6.866 1.00 0.41 H new ATOM 0 HD21 LEU A 10 -2.275 3.300 -8.655 1.00 0.41 H new ATOM 0 HD22 LEU A 10 -1.467 4.566 -7.701 1.00 0.41 H new ATOM 0 HD23 LEU A 10 -1.705 4.786 -9.451 1.00 0.41 H new ATOM 175 N LYS A 11 2.729 3.298 -11.437 1.00 0.42 N ATOM 176 CA LYS A 11 2.716 2.367 -12.588 1.00 0.44 C ATOM 177 C LYS A 11 3.729 1.261 -12.317 1.00 0.43 C ATOM 178 O LYS A 11 3.578 0.138 -12.755 1.00 0.45 O ATOM 179 CB LYS A 11 3.094 3.129 -13.874 1.00 0.49 C ATOM 180 CG LYS A 11 4.609 3.381 -13.919 1.00 0.83 C ATOM 181 CD LYS A 11 4.940 4.407 -15.001 1.00 0.98 C ATOM 182 CE LYS A 11 6.458 4.581 -15.074 1.00 1.64 C ATOM 183 NZ LYS A 11 6.815 5.374 -16.283 1.00 2.31 N ATOM 0 H LYS A 11 3.057 4.244 -11.632 1.00 0.42 H new ATOM 0 HA LYS A 11 1.723 1.937 -12.719 1.00 0.44 H new ATOM 0 HB2 LYS A 11 2.788 2.555 -14.748 1.00 0.49 H new ATOM 0 HB3 LYS A 11 2.559 4.078 -13.913 1.00 0.49 H new ATOM 0 HG2 LYS A 11 4.955 3.740 -12.949 1.00 0.83 H new ATOM 0 HG3 LYS A 11 5.135 2.447 -14.119 1.00 0.83 H new ATOM 0 HD2 LYS A 11 4.552 4.077 -15.965 1.00 0.98 H new ATOM 0 HD3 LYS A 11 4.462 5.360 -14.775 1.00 0.98 H new ATOM 0 HE2 LYS A 11 6.820 5.084 -14.177 1.00 1.64 H new ATOM 0 HE3 LYS A 11 6.944 3.606 -15.110 1.00 1.64 H new ATOM 0 HZ1 LYS A 11 7.847 5.490 -16.329 1.00 2.31 H new ATOM 0 HZ2 LYS A 11 6.484 4.877 -17.134 1.00 2.31 H new ATOM 0 HZ3 LYS A 11 6.363 6.309 -16.231 1.00 2.31 H new ATOM 197 N ASP A 12 4.781 1.586 -11.615 1.00 0.43 N ATOM 198 CA ASP A 12 5.819 0.572 -11.338 1.00 0.45 C ATOM 199 C ASP A 12 5.189 -0.607 -10.596 1.00 0.44 C ATOM 200 O ASP A 12 5.641 -1.731 -10.685 1.00 0.46 O ATOM 201 CB ASP A 12 6.918 1.186 -10.471 1.00 0.48 C ATOM 202 CG ASP A 12 8.120 0.242 -10.440 1.00 1.16 C ATOM 203 OD1 ASP A 12 8.249 -0.547 -11.361 1.00 1.88 O ATOM 204 OD2 ASP A 12 8.888 0.320 -9.496 1.00 1.94 O ATOM 0 H ASP A 12 4.960 2.511 -11.225 1.00 0.43 H new ATOM 0 HA ASP A 12 6.249 0.227 -12.278 1.00 0.45 H new ATOM 0 HB2 ASP A 12 7.213 2.157 -10.870 1.00 0.48 H new ATOM 0 HB3 ASP A 12 6.548 1.356 -9.460 1.00 0.48 H new ATOM 209 N ALA A 13 4.145 -0.344 -9.842 1.00 0.43 N ATOM 210 CA ALA A 13 3.485 -1.434 -9.072 1.00 0.45 C ATOM 211 C ALA A 13 3.100 -2.568 -10.019 1.00 0.49 C ATOM 212 O ALA A 13 3.007 -3.714 -9.626 1.00 0.57 O ATOM 213 CB ALA A 13 2.229 -0.888 -8.390 1.00 0.44 C ATOM 0 H ALA A 13 3.727 0.580 -9.731 1.00 0.43 H new ATOM 0 HA ALA A 13 4.173 -1.812 -8.316 1.00 0.45 H new ATOM 0 HB1 ALA A 13 1.745 -1.686 -7.826 1.00 0.44 H new ATOM 0 HB2 ALA A 13 2.505 -0.080 -7.712 1.00 0.44 H new ATOM 0 HB3 ALA A 13 1.541 -0.509 -9.145 1.00 0.44 H new ATOM 219 N TYR A 14 2.875 -2.261 -11.264 1.00 0.54 N ATOM 220 CA TYR A 14 2.498 -3.324 -12.232 1.00 0.60 C ATOM 221 C TYR A 14 3.749 -4.112 -12.628 1.00 0.67 C ATOM 222 O TYR A 14 3.769 -5.325 -12.582 1.00 1.15 O ATOM 223 CB TYR A 14 1.881 -2.682 -13.476 1.00 0.61 C ATOM 224 CG TYR A 14 0.504 -2.152 -13.142 1.00 0.58 C ATOM 225 CD1 TYR A 14 0.368 -0.965 -12.409 1.00 1.32 C ATOM 226 CD2 TYR A 14 -0.636 -2.845 -13.568 1.00 1.37 C ATOM 227 CE1 TYR A 14 -0.907 -0.473 -12.103 1.00 1.33 C ATOM 228 CE2 TYR A 14 -1.910 -2.353 -13.263 1.00 1.41 C ATOM 229 CZ TYR A 14 -2.046 -1.167 -12.531 1.00 0.70 C ATOM 230 OH TYR A 14 -3.303 -0.682 -12.233 1.00 0.82 O ATOM 0 H TYR A 14 2.936 -1.320 -11.653 1.00 0.54 H new ATOM 0 HA TYR A 14 1.773 -3.997 -11.775 1.00 0.60 H new ATOM 0 HB2 TYR A 14 2.517 -1.872 -13.833 1.00 0.61 H new ATOM 0 HB3 TYR A 14 1.815 -3.414 -14.281 1.00 0.61 H new ATOM 0 HD1 TYR A 14 1.247 -0.430 -12.080 1.00 1.32 H new ATOM 0 HD2 TYR A 14 -0.532 -3.760 -14.132 1.00 1.37 H new ATOM 0 HE1 TYR A 14 -1.012 0.441 -11.537 1.00 1.33 H new ATOM 0 HE2 TYR A 14 -2.788 -2.888 -13.592 1.00 1.41 H new ATOM 0 HH TYR A 14 -3.982 -1.283 -12.605 1.00 0.82 H new ATOM 240 N GLU A 15 4.794 -3.427 -13.016 1.00 0.57 N ATOM 241 CA GLU A 15 6.053 -4.121 -13.419 1.00 0.60 C ATOM 242 C GLU A 15 6.385 -5.231 -12.395 1.00 0.53 C ATOM 243 O GLU A 15 6.769 -4.915 -11.287 1.00 0.57 O ATOM 244 CB GLU A 15 7.200 -3.099 -13.433 1.00 0.68 C ATOM 245 CG GLU A 15 8.357 -3.628 -14.288 1.00 0.89 C ATOM 246 CD GLU A 15 8.959 -4.867 -13.623 1.00 1.59 C ATOM 247 OE1 GLU A 15 9.665 -4.704 -12.642 1.00 2.12 O ATOM 248 OE2 GLU A 15 8.706 -5.958 -14.108 1.00 2.32 O ATOM 0 H GLU A 15 4.829 -2.409 -13.071 1.00 0.57 H new ATOM 0 HA GLU A 15 5.927 -4.562 -14.408 1.00 0.60 H new ATOM 0 HB2 GLU A 15 6.847 -2.148 -13.831 1.00 0.68 H new ATOM 0 HB3 GLU A 15 7.544 -2.911 -12.416 1.00 0.68 H new ATOM 0 HG2 GLU A 15 8.000 -3.876 -15.288 1.00 0.89 H new ATOM 0 HG3 GLU A 15 9.119 -2.858 -14.404 1.00 0.89 H new ATOM 255 N PRO A 16 6.230 -6.496 -12.753 1.00 0.51 N ATOM 256 CA PRO A 16 6.525 -7.592 -11.805 1.00 0.48 C ATOM 257 C PRO A 16 8.007 -7.621 -11.382 1.00 0.51 C ATOM 258 O PRO A 16 8.741 -6.664 -11.511 1.00 0.76 O ATOM 259 CB PRO A 16 6.148 -8.890 -12.560 1.00 0.53 C ATOM 260 CG PRO A 16 5.643 -8.485 -13.972 1.00 0.64 C ATOM 261 CD PRO A 16 5.756 -6.950 -14.087 1.00 0.60 C ATOM 0 HA PRO A 16 5.963 -7.466 -10.879 1.00 0.48 H new ATOM 0 HB2 PRO A 16 7.011 -9.552 -12.638 1.00 0.53 H new ATOM 0 HB3 PRO A 16 5.375 -9.436 -12.019 1.00 0.53 H new ATOM 0 HG2 PRO A 16 6.238 -8.971 -14.745 1.00 0.64 H new ATOM 0 HG3 PRO A 16 4.611 -8.805 -14.115 1.00 0.64 H new ATOM 0 HD2 PRO A 16 6.456 -6.664 -14.872 1.00 0.60 H new ATOM 0 HD3 PRO A 16 4.795 -6.502 -14.338 1.00 0.60 H new ATOM 269 N LEU A 17 8.397 -8.745 -10.833 1.00 0.63 N ATOM 270 CA LEU A 17 9.780 -8.966 -10.302 1.00 0.74 C ATOM 271 C LEU A 17 10.253 -10.400 -10.581 1.00 0.79 C ATOM 272 O LEU A 17 9.490 -11.270 -10.963 1.00 1.03 O ATOM 273 CB LEU A 17 9.732 -8.809 -8.788 1.00 0.79 C ATOM 274 CG LEU A 17 9.432 -7.355 -8.405 1.00 1.26 C ATOM 275 CD1 LEU A 17 9.357 -7.279 -6.885 1.00 1.12 C ATOM 276 CD2 LEU A 17 10.545 -6.410 -8.914 1.00 2.28 C ATOM 0 H LEU A 17 7.785 -9.554 -10.727 1.00 0.63 H new ATOM 0 HA LEU A 17 10.454 -8.254 -10.779 1.00 0.74 H new ATOM 0 HB2 LEU A 17 8.967 -9.465 -8.373 1.00 0.79 H new ATOM 0 HB3 LEU A 17 10.684 -9.116 -8.355 1.00 0.79 H new ATOM 0 HG LEU A 17 8.492 -7.043 -8.859 1.00 1.26 H new ATOM 0 HD11 LEU A 17 9.144 -6.254 -6.582 1.00 1.12 H new ATOM 0 HD12 LEU A 17 8.564 -7.935 -6.527 1.00 1.12 H new ATOM 0 HD13 LEU A 17 10.309 -7.593 -6.458 1.00 1.12 H new ATOM 0 HD21 LEU A 17 10.309 -5.384 -8.630 1.00 2.28 H new ATOM 0 HD22 LEU A 17 11.498 -6.699 -8.472 1.00 2.28 H new ATOM 0 HD23 LEU A 17 10.613 -6.479 -10.000 1.00 2.28 H new ATOM 288 N TYR A 18 11.536 -10.617 -10.420 1.00 0.78 N ATOM 289 CA TYR A 18 12.149 -11.961 -10.691 1.00 0.88 C ATOM 290 C TYR A 18 12.280 -12.776 -9.369 1.00 0.76 C ATOM 291 O TYR A 18 12.271 -12.197 -8.299 1.00 0.63 O ATOM 292 CB TYR A 18 13.544 -11.718 -11.317 1.00 1.09 C ATOM 293 CG TYR A 18 13.599 -10.317 -11.898 1.00 0.78 C ATOM 294 CD1 TYR A 18 12.657 -9.926 -12.859 1.00 1.41 C ATOM 295 CD2 TYR A 18 14.579 -9.412 -11.472 1.00 1.46 C ATOM 296 CE1 TYR A 18 12.697 -8.633 -13.396 1.00 1.67 C ATOM 297 CE2 TYR A 18 14.620 -8.121 -12.007 1.00 1.64 C ATOM 298 CZ TYR A 18 13.679 -7.730 -12.972 1.00 1.40 C ATOM 299 OH TYR A 18 13.716 -6.456 -13.507 1.00 1.95 O ATOM 0 H TYR A 18 12.198 -9.908 -10.106 1.00 0.78 H new ATOM 0 HA TYR A 18 11.521 -12.537 -11.371 1.00 0.88 H new ATOM 0 HB2 TYR A 18 14.320 -11.841 -10.562 1.00 1.09 H new ATOM 0 HB3 TYR A 18 13.738 -12.455 -12.097 1.00 1.09 H new ATOM 0 HD1 TYR A 18 11.899 -10.623 -13.186 1.00 1.41 H new ATOM 0 HD2 TYR A 18 15.304 -9.712 -10.729 1.00 1.46 H new ATOM 0 HE1 TYR A 18 11.971 -8.333 -14.137 1.00 1.67 H new ATOM 0 HE2 TYR A 18 15.376 -7.424 -11.677 1.00 1.64 H new ATOM 0 HH TYR A 18 14.456 -5.954 -13.106 1.00 1.95 H new ATOM 309 N PRO A 19 12.415 -14.098 -9.472 1.00 0.88 N ATOM 310 CA PRO A 19 12.569 -14.962 -8.274 1.00 0.87 C ATOM 311 C PRO A 19 13.829 -14.564 -7.488 1.00 0.80 C ATOM 312 O PRO A 19 13.945 -14.830 -6.306 1.00 0.77 O ATOM 313 CB PRO A 19 12.698 -16.406 -8.828 1.00 1.11 C ATOM 314 CG PRO A 19 12.633 -16.319 -10.380 1.00 1.24 C ATOM 315 CD PRO A 19 12.416 -14.835 -10.759 1.00 1.09 C ATOM 0 HA PRO A 19 11.728 -14.868 -7.587 1.00 0.87 H new ATOM 0 HB2 PRO A 19 13.638 -16.857 -8.508 1.00 1.11 H new ATOM 0 HB3 PRO A 19 11.895 -17.037 -8.445 1.00 1.11 H new ATOM 0 HG2 PRO A 19 13.555 -16.696 -10.823 1.00 1.24 H new ATOM 0 HG3 PRO A 19 11.820 -16.935 -10.764 1.00 1.24 H new ATOM 0 HD2 PRO A 19 13.208 -14.477 -11.416 1.00 1.09 H new ATOM 0 HD3 PRO A 19 11.474 -14.699 -11.291 1.00 1.09 H new ATOM 323 N GLN A 20 14.775 -13.933 -8.135 1.00 0.80 N ATOM 324 CA GLN A 20 16.020 -13.525 -7.415 1.00 0.77 C ATOM 325 C GLN A 20 15.806 -12.151 -6.779 1.00 0.68 C ATOM 326 O GLN A 20 16.260 -11.885 -5.686 1.00 0.67 O ATOM 327 CB GLN A 20 17.203 -13.468 -8.382 1.00 0.85 C ATOM 328 CG GLN A 20 17.473 -14.860 -8.958 1.00 1.41 C ATOM 329 CD GLN A 20 18.690 -14.796 -9.883 1.00 1.86 C ATOM 330 OE1 GLN A 20 19.057 -15.782 -10.492 1.00 2.60 O ATOM 331 NE2 GLN A 20 19.335 -13.669 -10.015 1.00 2.30 N ATOM 0 H GLN A 20 14.741 -13.684 -9.123 1.00 0.80 H new ATOM 0 HA GLN A 20 16.241 -14.260 -6.641 1.00 0.77 H new ATOM 0 HB2 GLN A 20 16.991 -12.766 -9.189 1.00 0.85 H new ATOM 0 HB3 GLN A 20 18.089 -13.101 -7.865 1.00 0.85 H new ATOM 0 HG2 GLN A 20 17.651 -15.572 -8.152 1.00 1.41 H new ATOM 0 HG3 GLN A 20 16.601 -15.214 -9.509 1.00 1.41 H new ATOM 0 HE21 GLN A 20 19.027 -12.842 -9.504 1.00 2.30 H new ATOM 0 HE22 GLN A 20 20.147 -13.615 -10.629 1.00 2.30 H new ATOM 340 N GLN A 21 15.115 -11.277 -7.451 1.00 0.64 N ATOM 341 CA GLN A 21 14.876 -9.924 -6.878 1.00 0.59 C ATOM 342 C GLN A 21 14.097 -10.065 -5.562 1.00 0.50 C ATOM 343 O GLN A 21 14.492 -9.546 -4.537 1.00 0.47 O ATOM 344 CB GLN A 21 14.072 -9.078 -7.898 1.00 0.64 C ATOM 345 CG GLN A 21 14.946 -7.952 -8.467 1.00 1.02 C ATOM 346 CD GLN A 21 15.181 -6.895 -7.387 1.00 1.57 C ATOM 347 OE1 GLN A 21 16.153 -6.957 -6.660 1.00 2.34 O ATOM 348 NE2 GLN A 21 14.325 -5.921 -7.250 1.00 1.94 N ATOM 0 H GLN A 21 14.705 -11.439 -8.371 1.00 0.64 H new ATOM 0 HA GLN A 21 15.824 -9.426 -6.674 1.00 0.59 H new ATOM 0 HB2 GLN A 21 13.716 -9.715 -8.708 1.00 0.64 H new ATOM 0 HB3 GLN A 21 13.191 -8.655 -7.415 1.00 0.64 H new ATOM 0 HG2 GLN A 21 15.899 -8.355 -8.810 1.00 1.02 H new ATOM 0 HG3 GLN A 21 14.460 -7.502 -9.332 1.00 1.02 H new ATOM 0 HE21 GLN A 21 13.509 -5.869 -7.860 1.00 1.94 H new ATOM 0 HE22 GLN A 21 14.471 -5.211 -6.533 1.00 1.94 H new ATOM 357 N LEU A 22 12.993 -10.758 -5.587 1.00 0.52 N ATOM 358 CA LEU A 22 12.187 -10.924 -4.348 1.00 0.46 C ATOM 359 C LEU A 22 12.938 -11.798 -3.342 1.00 0.42 C ATOM 360 O LEU A 22 12.818 -11.615 -2.146 1.00 0.40 O ATOM 361 CB LEU A 22 10.849 -11.586 -4.706 1.00 0.52 C ATOM 362 CG LEU A 22 9.989 -11.788 -3.449 1.00 0.59 C ATOM 363 CD1 LEU A 22 9.665 -10.433 -2.797 1.00 0.52 C ATOM 364 CD2 LEU A 22 8.691 -12.488 -3.855 1.00 0.93 C ATOM 0 H LEU A 22 12.614 -11.217 -6.415 1.00 0.52 H new ATOM 0 HA LEU A 22 12.010 -9.946 -3.900 1.00 0.46 H new ATOM 0 HB2 LEU A 22 10.312 -10.967 -5.424 1.00 0.52 H new ATOM 0 HB3 LEU A 22 11.030 -12.547 -5.187 1.00 0.52 H new ATOM 0 HG LEU A 22 10.535 -12.395 -2.727 1.00 0.59 H new ATOM 0 HD11 LEU A 22 9.055 -10.594 -1.908 1.00 0.52 H new ATOM 0 HD12 LEU A 22 10.592 -9.934 -2.516 1.00 0.52 H new ATOM 0 HD13 LEU A 22 9.118 -9.810 -3.505 1.00 0.52 H new ATOM 0 HD21 LEU A 22 8.068 -12.639 -2.973 1.00 0.93 H new ATOM 0 HD22 LEU A 22 8.155 -11.871 -4.576 1.00 0.93 H new ATOM 0 HD23 LEU A 22 8.923 -13.453 -4.305 1.00 0.93 H new ATOM 376 N GLU A 23 13.693 -12.767 -3.797 1.00 0.44 N ATOM 377 CA GLU A 23 14.403 -13.644 -2.822 1.00 0.42 C ATOM 378 C GLU A 23 15.582 -12.875 -2.215 1.00 0.38 C ATOM 379 O GLU A 23 15.973 -13.103 -1.087 1.00 0.37 O ATOM 380 CB GLU A 23 14.895 -14.910 -3.530 1.00 0.47 C ATOM 381 CG GLU A 23 15.599 -15.827 -2.530 1.00 1.13 C ATOM 382 CD GLU A 23 16.002 -17.126 -3.231 1.00 1.66 C ATOM 383 OE1 GLU A 23 15.861 -17.190 -4.442 1.00 2.30 O ATOM 384 OE2 GLU A 23 16.444 -18.034 -2.547 1.00 2.28 O ATOM 0 H GLU A 23 13.846 -12.985 -4.782 1.00 0.44 H new ATOM 0 HA GLU A 23 13.721 -13.936 -2.023 1.00 0.42 H new ATOM 0 HB2 GLU A 23 14.054 -15.432 -3.985 1.00 0.47 H new ATOM 0 HB3 GLU A 23 15.579 -14.644 -4.336 1.00 0.47 H new ATOM 0 HG2 GLU A 23 16.480 -15.332 -2.123 1.00 1.13 H new ATOM 0 HG3 GLU A 23 14.939 -16.043 -1.690 1.00 1.13 H new ATOM 391 N ILE A 24 16.142 -11.957 -2.959 1.00 0.39 N ATOM 392 CA ILE A 24 17.286 -11.159 -2.439 1.00 0.39 C ATOM 393 C ILE A 24 16.805 -10.329 -1.239 1.00 0.36 C ATOM 394 O ILE A 24 17.418 -10.328 -0.190 1.00 0.37 O ATOM 395 CB ILE A 24 17.803 -10.244 -3.572 1.00 0.44 C ATOM 396 CG1 ILE A 24 18.771 -11.031 -4.467 1.00 0.52 C ATOM 397 CG2 ILE A 24 18.532 -9.024 -2.998 1.00 0.48 C ATOM 398 CD1 ILE A 24 18.976 -10.277 -5.783 1.00 0.89 C ATOM 0 H ILE A 24 15.853 -11.726 -3.909 1.00 0.39 H new ATOM 0 HA ILE A 24 18.098 -11.807 -2.111 1.00 0.39 H new ATOM 0 HB ILE A 24 16.947 -9.902 -4.154 1.00 0.44 H new ATOM 0 HG12 ILE A 24 19.726 -11.164 -3.959 1.00 0.52 H new ATOM 0 HG13 ILE A 24 18.373 -12.027 -4.664 1.00 0.52 H new ATOM 0 HG21 ILE A 24 18.887 -8.395 -3.814 1.00 0.48 H new ATOM 0 HG22 ILE A 24 17.847 -8.453 -2.371 1.00 0.48 H new ATOM 0 HG23 ILE A 24 19.381 -9.355 -2.400 1.00 0.48 H new ATOM 0 HD11 ILE A 24 19.663 -10.835 -6.419 1.00 0.89 H new ATOM 0 HD12 ILE A 24 18.019 -10.167 -6.292 1.00 0.89 H new ATOM 0 HD13 ILE A 24 19.392 -9.291 -5.576 1.00 0.89 H new ATOM 410 N LEU A 25 15.716 -9.625 -1.384 1.00 0.34 N ATOM 411 CA LEU A 25 15.208 -8.805 -0.246 1.00 0.34 C ATOM 412 C LEU A 25 14.886 -9.729 0.933 1.00 0.32 C ATOM 413 O LEU A 25 14.945 -9.333 2.080 1.00 0.34 O ATOM 414 CB LEU A 25 13.943 -8.049 -0.675 1.00 0.36 C ATOM 415 CG LEU A 25 14.279 -7.050 -1.800 1.00 0.38 C ATOM 416 CD1 LEU A 25 13.007 -6.700 -2.578 1.00 0.44 C ATOM 417 CD2 LEU A 25 14.873 -5.760 -1.212 1.00 0.41 C ATOM 0 H LEU A 25 15.158 -9.581 -2.237 1.00 0.34 H new ATOM 0 HA LEU A 25 15.967 -8.082 0.053 1.00 0.34 H new ATOM 0 HB2 LEU A 25 13.187 -8.755 -1.019 1.00 0.36 H new ATOM 0 HB3 LEU A 25 13.520 -7.519 0.178 1.00 0.36 H new ATOM 0 HG LEU A 25 15.008 -7.512 -2.466 1.00 0.38 H new ATOM 0 HD11 LEU A 25 13.249 -5.994 -3.372 1.00 0.44 H new ATOM 0 HD12 LEU A 25 12.586 -7.606 -3.014 1.00 0.44 H new ATOM 0 HD13 LEU A 25 12.279 -6.251 -1.902 1.00 0.44 H new ATOM 0 HD21 LEU A 25 15.105 -5.065 -2.019 1.00 0.41 H new ATOM 0 HD22 LEU A 25 14.151 -5.302 -0.535 1.00 0.41 H new ATOM 0 HD23 LEU A 25 15.785 -5.996 -0.664 1.00 0.41 H new ATOM 429 N ARG A 26 14.550 -10.962 0.659 1.00 0.31 N ATOM 430 CA ARG A 26 14.232 -11.915 1.761 1.00 0.33 C ATOM 431 C ARG A 26 15.535 -12.401 2.393 1.00 0.31 C ATOM 432 O ARG A 26 15.643 -12.532 3.594 1.00 0.32 O ATOM 433 CB ARG A 26 13.461 -13.114 1.200 1.00 0.38 C ATOM 434 CG ARG A 26 13.063 -14.052 2.344 1.00 0.69 C ATOM 435 CD ARG A 26 12.321 -15.262 1.777 1.00 1.00 C ATOM 436 NE ARG A 26 11.064 -14.809 1.120 1.00 1.36 N ATOM 437 CZ ARG A 26 10.423 -15.615 0.321 1.00 1.86 C ATOM 438 NH1 ARG A 26 10.885 -16.815 0.102 1.00 2.36 N ATOM 439 NH2 ARG A 26 9.322 -15.221 -0.257 1.00 2.46 N ATOM 0 H ARG A 26 14.482 -11.350 -0.282 1.00 0.31 H new ATOM 0 HA ARG A 26 13.621 -11.414 2.512 1.00 0.33 H new ATOM 0 HB2 ARG A 26 12.571 -12.772 0.671 1.00 0.38 H new ATOM 0 HB3 ARG A 26 14.076 -13.648 0.476 1.00 0.38 H new ATOM 0 HG2 ARG A 26 13.950 -14.378 2.887 1.00 0.69 H new ATOM 0 HG3 ARG A 26 12.429 -13.525 3.057 1.00 0.69 H new ATOM 0 HD2 ARG A 26 12.952 -15.785 1.058 1.00 1.00 H new ATOM 0 HD3 ARG A 26 12.093 -15.969 2.575 1.00 1.00 H new ATOM 0 HE ARG A 26 10.705 -13.870 1.295 1.00 1.36 H new ATOM 0 HH11 ARG A 26 11.746 -17.121 0.556 1.00 2.36 H new ATOM 0 HH12 ARG A 26 10.385 -17.448 -0.523 1.00 2.36 H new ATOM 0 HH21 ARG A 26 8.963 -14.282 -0.084 1.00 2.46 H new ATOM 0 HH22 ARG A 26 8.820 -15.852 -0.882 1.00 2.46 H new ATOM 453 N GLN A 27 16.537 -12.641 1.596 1.00 0.31 N ATOM 454 CA GLN A 27 17.844 -13.089 2.144 1.00 0.32 C ATOM 455 C GLN A 27 18.349 -12.050 3.139 1.00 0.31 C ATOM 456 O GLN A 27 18.843 -12.371 4.201 1.00 0.33 O ATOM 457 CB GLN A 27 18.842 -13.201 0.990 1.00 0.33 C ATOM 458 CG GLN A 27 20.092 -13.942 1.466 1.00 0.99 C ATOM 459 CD GLN A 27 19.782 -15.434 1.612 1.00 1.48 C ATOM 460 OE1 GLN A 27 18.659 -15.856 1.419 1.00 2.02 O ATOM 461 NE2 GLN A 27 20.738 -16.257 1.947 1.00 2.23 N ATOM 0 H GLN A 27 16.505 -12.545 0.581 1.00 0.31 H new ATOM 0 HA GLN A 27 17.734 -14.052 2.642 1.00 0.32 H new ATOM 0 HB2 GLN A 27 18.388 -13.732 0.153 1.00 0.33 H new ATOM 0 HB3 GLN A 27 19.110 -12.208 0.630 1.00 0.33 H new ATOM 0 HG2 GLN A 27 20.905 -13.797 0.755 1.00 0.99 H new ATOM 0 HG3 GLN A 27 20.427 -13.535 2.420 1.00 0.99 H new ATOM 0 HE21 GLN A 27 21.681 -15.904 2.109 1.00 2.23 H new ATOM 0 HE22 GLN A 27 20.542 -17.253 2.046 1.00 2.23 H new ATOM 470 N GLN A 28 18.230 -10.800 2.790 1.00 0.30 N ATOM 471 CA GLN A 28 18.700 -9.722 3.697 1.00 0.31 C ATOM 472 C GLN A 28 17.807 -9.674 4.933 1.00 0.30 C ATOM 473 O GLN A 28 18.268 -9.454 6.030 1.00 0.34 O ATOM 474 CB GLN A 28 18.628 -8.382 2.965 1.00 0.33 C ATOM 475 CG GLN A 28 19.127 -7.269 3.888 1.00 1.10 C ATOM 476 CD GLN A 28 19.348 -5.992 3.076 1.00 1.61 C ATOM 477 OE1 GLN A 28 18.563 -5.067 3.151 1.00 2.28 O ATOM 478 NE2 GLN A 28 20.392 -5.900 2.299 1.00 2.28 N ATOM 0 H GLN A 28 17.825 -10.479 1.911 1.00 0.30 H new ATOM 0 HA GLN A 28 19.728 -9.919 4.000 1.00 0.31 H new ATOM 0 HB2 GLN A 28 19.234 -8.417 2.060 1.00 0.33 H new ATOM 0 HB3 GLN A 28 17.603 -8.180 2.655 1.00 0.33 H new ATOM 0 HG2 GLN A 28 18.401 -7.087 4.681 1.00 1.10 H new ATOM 0 HG3 GLN A 28 20.057 -7.571 4.370 1.00 1.10 H new ATOM 0 HE21 GLN A 28 21.051 -6.676 2.236 1.00 2.28 H new ATOM 0 HE22 GLN A 28 20.549 -5.052 1.755 1.00 2.28 H new ATOM 487 N VAL A 29 16.531 -9.878 4.765 1.00 0.27 N ATOM 488 CA VAL A 29 15.621 -9.839 5.943 1.00 0.28 C ATOM 489 C VAL A 29 15.917 -11.044 6.846 1.00 0.30 C ATOM 490 O VAL A 29 16.109 -10.905 8.038 1.00 0.33 O ATOM 491 CB VAL A 29 14.162 -9.869 5.459 1.00 0.27 C ATOM 492 CG1 VAL A 29 13.224 -10.255 6.611 1.00 0.30 C ATOM 493 CG2 VAL A 29 13.776 -8.482 4.936 1.00 0.27 C ATOM 0 H VAL A 29 16.081 -10.069 3.870 1.00 0.27 H new ATOM 0 HA VAL A 29 15.781 -8.924 6.513 1.00 0.28 H new ATOM 0 HB VAL A 29 14.068 -10.609 4.664 1.00 0.27 H new ATOM 0 HG11 VAL A 29 12.195 -10.272 6.252 1.00 0.30 H new ATOM 0 HG12 VAL A 29 13.494 -11.243 6.985 1.00 0.30 H new ATOM 0 HG13 VAL A 29 13.316 -9.525 7.415 1.00 0.30 H new ATOM 0 HG21 VAL A 29 12.742 -8.498 4.591 1.00 0.27 H new ATOM 0 HG22 VAL A 29 13.881 -7.749 5.736 1.00 0.27 H new ATOM 0 HG23 VAL A 29 14.430 -8.210 4.108 1.00 0.27 H new ATOM 503 N VAL A 30 15.950 -12.222 6.289 1.00 0.31 N ATOM 504 CA VAL A 30 16.223 -13.435 7.108 1.00 0.35 C ATOM 505 C VAL A 30 17.640 -13.379 7.673 1.00 0.37 C ATOM 506 O VAL A 30 17.883 -13.742 8.808 1.00 0.42 O ATOM 507 CB VAL A 30 16.082 -14.668 6.221 1.00 0.35 C ATOM 508 CG1 VAL A 30 16.341 -15.928 7.041 1.00 0.40 C ATOM 509 CG2 VAL A 30 14.667 -14.713 5.651 1.00 0.35 C ATOM 0 H VAL A 30 15.799 -12.397 5.296 1.00 0.31 H new ATOM 0 HA VAL A 30 15.514 -13.482 7.935 1.00 0.35 H new ATOM 0 HB VAL A 30 16.807 -14.617 5.408 1.00 0.35 H new ATOM 0 HG11 VAL A 30 16.239 -16.805 6.402 1.00 0.40 H new ATOM 0 HG12 VAL A 30 17.350 -15.894 7.452 1.00 0.40 H new ATOM 0 HG13 VAL A 30 15.619 -15.987 7.856 1.00 0.40 H new ATOM 0 HG21 VAL A 30 14.558 -15.592 5.016 1.00 0.35 H new ATOM 0 HG22 VAL A 30 13.947 -14.765 6.468 1.00 0.35 H new ATOM 0 HG23 VAL A 30 14.483 -13.815 5.062 1.00 0.35 H new ATOM 519 N SER A 31 18.578 -12.936 6.892 1.00 0.36 N ATOM 520 CA SER A 31 19.978 -12.868 7.390 1.00 0.39 C ATOM 521 C SER A 31 20.048 -11.907 8.590 1.00 0.42 C ATOM 522 O SER A 31 20.930 -12.003 9.420 1.00 0.47 O ATOM 523 CB SER A 31 20.894 -12.386 6.260 1.00 0.38 C ATOM 524 OG SER A 31 20.917 -13.368 5.228 1.00 1.36 O ATOM 0 H SER A 31 18.439 -12.618 5.933 1.00 0.36 H new ATOM 0 HA SER A 31 20.307 -13.855 7.713 1.00 0.39 H new ATOM 0 HB2 SER A 31 20.536 -11.435 5.866 1.00 0.38 H new ATOM 0 HB3 SER A 31 21.902 -12.215 6.639 1.00 0.38 H new ATOM 0 HG SER A 31 20.069 -13.347 4.738 1.00 1.36 H new ATOM 530 N GLU A 32 19.146 -10.959 8.661 1.00 0.42 N ATOM 531 CA GLU A 32 19.172 -9.968 9.777 1.00 0.47 C ATOM 532 C GLU A 32 18.375 -10.493 10.992 1.00 0.49 C ATOM 533 O GLU A 32 18.394 -9.895 12.048 1.00 0.54 O ATOM 534 CB GLU A 32 18.562 -8.657 9.246 1.00 0.48 C ATOM 535 CG GLU A 32 19.315 -7.440 9.793 1.00 0.79 C ATOM 536 CD GLU A 32 19.398 -7.530 11.314 1.00 1.50 C ATOM 537 OE1 GLU A 32 20.358 -8.103 11.803 1.00 2.22 O ATOM 538 OE2 GLU A 32 18.501 -7.022 11.965 1.00 2.23 O ATOM 0 H GLU A 32 18.389 -10.830 7.989 1.00 0.42 H new ATOM 0 HA GLU A 32 20.195 -9.800 10.114 1.00 0.47 H new ATOM 0 HB2 GLU A 32 18.596 -8.651 8.157 1.00 0.48 H new ATOM 0 HB3 GLU A 32 17.512 -8.598 9.532 1.00 0.48 H new ATOM 0 HG2 GLU A 32 20.317 -7.398 9.366 1.00 0.79 H new ATOM 0 HG3 GLU A 32 18.805 -6.522 9.500 1.00 0.79 H new ATOM 545 N GLY A 33 17.692 -11.608 10.853 1.00 0.47 N ATOM 546 CA GLY A 33 16.906 -12.179 12.004 1.00 0.50 C ATOM 547 C GLY A 33 15.428 -12.323 11.623 1.00 0.50 C ATOM 548 O GLY A 33 14.593 -12.614 12.455 1.00 0.66 O ATOM 0 H GLY A 33 17.644 -12.150 9.990 1.00 0.47 H new ATOM 0 HA2 GLY A 33 17.312 -13.151 12.283 1.00 0.50 H new ATOM 0 HA3 GLY A 33 17.002 -11.531 12.875 1.00 0.50 H new ATOM 552 N GLY A 34 15.102 -12.135 10.376 1.00 0.43 N ATOM 553 CA GLY A 34 13.680 -12.274 9.943 1.00 0.43 C ATOM 554 C GLY A 34 12.834 -11.125 10.543 1.00 0.43 C ATOM 555 O GLY A 34 13.083 -9.980 10.218 1.00 0.41 O ATOM 0 H GLY A 34 15.758 -11.891 9.635 1.00 0.43 H new ATOM 0 HA2 GLY A 34 13.618 -12.254 8.855 1.00 0.43 H new ATOM 0 HA3 GLY A 34 13.284 -13.237 10.267 1.00 0.43 H new ATOM 559 N PRO A 35 11.857 -11.420 11.393 1.00 0.47 N ATOM 560 CA PRO A 35 11.025 -10.351 11.984 1.00 0.51 C ATOM 561 C PRO A 35 11.909 -9.327 12.715 1.00 0.52 C ATOM 562 O PRO A 35 11.721 -8.131 12.602 1.00 0.64 O ATOM 563 CB PRO A 35 10.083 -11.079 12.975 1.00 0.57 C ATOM 564 CG PRO A 35 10.354 -12.605 12.849 1.00 0.58 C ATOM 565 CD PRO A 35 11.501 -12.792 11.834 1.00 0.52 C ATOM 0 HA PRO A 35 10.467 -9.795 11.230 1.00 0.51 H new ATOM 0 HB2 PRO A 35 10.266 -10.741 13.995 1.00 0.57 H new ATOM 0 HB3 PRO A 35 9.041 -10.855 12.747 1.00 0.57 H new ATOM 0 HG2 PRO A 35 10.626 -13.027 13.817 1.00 0.58 H new ATOM 0 HG3 PRO A 35 9.457 -13.127 12.514 1.00 0.58 H new ATOM 0 HD2 PRO A 35 12.354 -13.292 12.292 1.00 0.52 H new ATOM 0 HD3 PRO A 35 11.185 -13.407 10.991 1.00 0.52 H new ATOM 573 N THR A 36 12.862 -9.798 13.468 1.00 0.50 N ATOM 574 CA THR A 36 13.758 -8.881 14.226 1.00 0.50 C ATOM 575 C THR A 36 14.654 -8.090 13.268 1.00 0.48 C ATOM 576 O THR A 36 15.566 -7.404 13.687 1.00 0.48 O ATOM 577 CB THR A 36 14.641 -9.721 15.149 1.00 0.51 C ATOM 578 OG1 THR A 36 15.288 -10.726 14.383 1.00 0.69 O ATOM 579 CG2 THR A 36 13.775 -10.376 16.228 1.00 0.80 C ATOM 0 H THR A 36 13.061 -10.791 13.592 1.00 0.50 H new ATOM 0 HA THR A 36 13.152 -8.180 14.800 1.00 0.50 H new ATOM 0 HB THR A 36 15.387 -9.085 15.625 1.00 0.51 H new ATOM 0 HG1 THR A 36 15.857 -11.268 14.968 1.00 0.69 H new ATOM 0 HG21 THR A 36 14.405 -10.975 16.886 1.00 0.80 H new ATOM 0 HG22 THR A 36 13.273 -9.603 16.810 1.00 0.80 H new ATOM 0 HG23 THR A 36 13.030 -11.017 15.757 1.00 0.80 H new ATOM 587 N ALA A 37 14.418 -8.184 11.989 1.00 0.48 N ATOM 588 CA ALA A 37 15.276 -7.441 11.023 1.00 0.48 C ATOM 589 C ALA A 37 15.043 -5.933 11.172 1.00 0.55 C ATOM 590 O ALA A 37 14.041 -5.499 11.703 1.00 1.10 O ATOM 591 CB ALA A 37 14.934 -7.871 9.598 1.00 0.42 C ATOM 0 H ALA A 37 13.672 -8.740 11.572 1.00 0.48 H new ATOM 0 HA ALA A 37 16.323 -7.665 11.229 1.00 0.48 H new ATOM 0 HB1 ALA A 37 15.562 -7.327 8.893 1.00 0.42 H new ATOM 0 HB2 ALA A 37 15.109 -8.941 9.489 1.00 0.42 H new ATOM 0 HB3 ALA A 37 13.886 -7.652 9.394 1.00 0.42 H new ATOM 597 N THR A 38 15.966 -5.134 10.705 1.00 0.45 N ATOM 598 CA THR A 38 15.807 -3.654 10.816 1.00 0.46 C ATOM 599 C THR A 38 14.535 -3.216 10.089 1.00 0.40 C ATOM 600 O THR A 38 13.973 -3.952 9.302 1.00 0.36 O ATOM 601 CB THR A 38 17.012 -2.961 10.176 1.00 0.48 C ATOM 602 OG1 THR A 38 17.134 -3.383 8.825 1.00 0.66 O ATOM 603 CG2 THR A 38 18.282 -3.326 10.942 1.00 0.66 C ATOM 0 H THR A 38 16.825 -5.443 10.250 1.00 0.45 H new ATOM 0 HA THR A 38 15.739 -3.380 11.869 1.00 0.46 H new ATOM 0 HB THR A 38 16.870 -1.881 10.210 1.00 0.48 H new ATOM 0 HG1 THR A 38 17.904 -2.939 8.412 1.00 0.66 H new ATOM 0 HG21 THR A 38 19.138 -2.831 10.484 1.00 0.66 H new ATOM 0 HG22 THR A 38 18.187 -3.002 11.978 1.00 0.66 H new ATOM 0 HG23 THR A 38 18.428 -4.406 10.911 1.00 0.66 H new ATOM 611 N ILE A 39 14.076 -2.022 10.345 1.00 0.47 N ATOM 612 CA ILE A 39 12.842 -1.529 9.672 1.00 0.45 C ATOM 613 C ILE A 39 13.116 -1.331 8.177 1.00 0.40 C ATOM 614 O ILE A 39 12.309 -1.678 7.336 1.00 0.38 O ATOM 615 CB ILE A 39 12.437 -0.192 10.310 1.00 0.55 C ATOM 616 CG1 ILE A 39 11.828 -0.455 11.691 1.00 0.73 C ATOM 617 CG2 ILE A 39 11.413 0.529 9.428 1.00 0.53 C ATOM 618 CD1 ILE A 39 11.743 0.859 12.471 1.00 0.73 C ATOM 0 H ILE A 39 14.505 -1.363 10.995 1.00 0.47 H new ATOM 0 HA ILE A 39 12.036 -2.254 9.789 1.00 0.45 H new ATOM 0 HB ILE A 39 13.321 0.438 10.409 1.00 0.55 H new ATOM 0 HG12 ILE A 39 10.835 -0.892 11.585 1.00 0.73 H new ATOM 0 HG13 ILE A 39 12.437 -1.176 12.237 1.00 0.73 H new ATOM 0 HG21 ILE A 39 11.135 1.475 9.892 1.00 0.53 H new ATOM 0 HG22 ILE A 39 11.848 0.720 8.447 1.00 0.53 H new ATOM 0 HG23 ILE A 39 10.526 -0.095 9.316 1.00 0.53 H new ATOM 0 HD11 ILE A 39 11.310 0.672 13.453 1.00 0.73 H new ATOM 0 HD12 ILE A 39 12.743 1.277 12.589 1.00 0.73 H new ATOM 0 HD13 ILE A 39 11.116 1.565 11.927 1.00 0.73 H new ATOM 630 N GLN A 40 14.242 -0.770 7.841 1.00 0.42 N ATOM 631 CA GLN A 40 14.561 -0.542 6.404 1.00 0.43 C ATOM 632 C GLN A 40 14.503 -1.870 5.650 1.00 0.35 C ATOM 633 O GLN A 40 14.231 -1.912 4.467 1.00 0.37 O ATOM 634 CB GLN A 40 15.965 0.053 6.281 1.00 0.53 C ATOM 635 CG GLN A 40 15.952 1.497 6.784 1.00 1.38 C ATOM 636 CD GLN A 40 15.658 1.511 8.285 1.00 1.91 C ATOM 637 OE1 GLN A 40 16.460 1.057 9.077 1.00 2.54 O ATOM 638 NE2 GLN A 40 14.533 2.016 8.713 1.00 2.43 N ATOM 0 H GLN A 40 14.957 -0.459 8.499 1.00 0.42 H new ATOM 0 HA GLN A 40 13.834 0.149 5.977 1.00 0.43 H new ATOM 0 HB2 GLN A 40 16.674 -0.539 6.860 1.00 0.53 H new ATOM 0 HB3 GLN A 40 16.296 0.021 5.243 1.00 0.53 H new ATOM 0 HG2 GLN A 40 16.913 1.971 6.586 1.00 1.38 H new ATOM 0 HG3 GLN A 40 15.197 2.073 6.249 1.00 1.38 H new ATOM 0 HE21 GLN A 40 13.860 2.397 8.048 1.00 2.43 H new ATOM 0 HE22 GLN A 40 14.327 2.029 9.712 1.00 2.43 H new ATOM 647 N SER A 41 14.760 -2.954 6.325 1.00 0.31 N ATOM 648 CA SER A 41 14.723 -4.278 5.644 1.00 0.28 C ATOM 649 C SER A 41 13.271 -4.682 5.398 1.00 0.24 C ATOM 650 O SER A 41 12.904 -5.088 4.313 1.00 0.25 O ATOM 651 CB SER A 41 15.402 -5.324 6.526 1.00 0.29 C ATOM 652 OG SER A 41 14.514 -5.703 7.567 1.00 1.32 O ATOM 0 H SER A 41 14.994 -2.981 7.317 1.00 0.31 H new ATOM 0 HA SER A 41 15.248 -4.212 4.691 1.00 0.28 H new ATOM 0 HB2 SER A 41 15.678 -6.195 5.932 1.00 0.29 H new ATOM 0 HB3 SER A 41 16.323 -4.920 6.946 1.00 0.29 H new ATOM 0 HG SER A 41 14.577 -5.057 8.302 1.00 1.32 H new ATOM 658 N ARG A 42 12.440 -4.571 6.395 1.00 0.22 N ATOM 659 CA ARG A 42 11.013 -4.946 6.216 1.00 0.21 C ATOM 660 C ARG A 42 10.350 -3.950 5.261 1.00 0.20 C ATOM 661 O ARG A 42 9.534 -4.313 4.437 1.00 0.20 O ATOM 662 CB ARG A 42 10.307 -4.917 7.575 1.00 0.24 C ATOM 663 CG ARG A 42 10.912 -5.990 8.484 1.00 0.52 C ATOM 664 CD ARG A 42 10.383 -5.819 9.911 1.00 0.82 C ATOM 665 NE ARG A 42 8.894 -5.843 9.897 1.00 1.50 N ATOM 666 CZ ARG A 42 8.234 -6.015 11.009 1.00 1.92 C ATOM 667 NH1 ARG A 42 8.878 -6.164 12.135 1.00 1.83 N ATOM 668 NH2 ARG A 42 6.929 -6.038 10.997 1.00 2.91 N ATOM 0 H ARG A 42 12.688 -4.237 7.326 1.00 0.22 H new ATOM 0 HA ARG A 42 10.941 -5.950 5.798 1.00 0.21 H new ATOM 0 HB2 ARG A 42 10.415 -3.934 8.033 1.00 0.24 H new ATOM 0 HB3 ARG A 42 9.239 -5.093 7.446 1.00 0.24 H new ATOM 0 HG2 ARG A 42 10.660 -6.982 8.109 1.00 0.52 H new ATOM 0 HG3 ARG A 42 11.999 -5.914 8.478 1.00 0.52 H new ATOM 0 HD2 ARG A 42 10.764 -6.617 10.549 1.00 0.82 H new ATOM 0 HD3 ARG A 42 10.738 -4.878 10.331 1.00 0.82 H new ATOM 0 HE ARG A 42 8.390 -5.725 9.018 1.00 1.50 H new ATOM 0 HH11 ARG A 42 9.898 -6.146 12.146 1.00 1.83 H new ATOM 0 HH12 ARG A 42 8.361 -6.298 13.004 1.00 1.83 H new ATOM 0 HH21 ARG A 42 6.425 -5.921 10.118 1.00 2.91 H new ATOM 0 HH22 ARG A 42 6.413 -6.173 11.867 1.00 2.91 H new ATOM 682 N PHE A 43 10.688 -2.693 5.376 1.00 0.22 N ATOM 683 CA PHE A 43 10.073 -1.665 4.488 1.00 0.24 C ATOM 684 C PHE A 43 10.286 -2.025 3.015 1.00 0.23 C ATOM 685 O PHE A 43 9.349 -2.068 2.241 1.00 0.23 O ATOM 686 CB PHE A 43 10.710 -0.300 4.766 1.00 0.28 C ATOM 687 CG PHE A 43 10.133 0.722 3.813 1.00 0.38 C ATOM 688 CD1 PHE A 43 8.918 1.350 4.112 1.00 1.18 C ATOM 689 CD2 PHE A 43 10.810 1.034 2.628 1.00 1.40 C ATOM 690 CE1 PHE A 43 8.381 2.292 3.226 1.00 1.22 C ATOM 691 CE2 PHE A 43 10.272 1.974 1.742 1.00 1.48 C ATOM 692 CZ PHE A 43 9.057 2.603 2.041 1.00 0.70 C ATOM 0 H PHE A 43 11.365 -2.334 6.049 1.00 0.22 H new ATOM 0 HA PHE A 43 9.003 -1.628 4.693 1.00 0.24 H new ATOM 0 HB2 PHE A 43 10.521 -0.001 5.797 1.00 0.28 H new ATOM 0 HB3 PHE A 43 11.792 -0.359 4.644 1.00 0.28 H new ATOM 0 HD1 PHE A 43 8.395 1.108 5.026 1.00 1.18 H new ATOM 0 HD2 PHE A 43 11.747 0.549 2.398 1.00 1.40 H new ATOM 0 HE1 PHE A 43 7.445 2.779 3.457 1.00 1.22 H new ATOM 0 HE2 PHE A 43 10.794 2.214 0.828 1.00 1.48 H new ATOM 0 HZ PHE A 43 8.642 3.328 1.357 1.00 0.70 H new ATOM 702 N ASN A 44 11.502 -2.280 2.603 1.00 0.24 N ATOM 703 CA ASN A 44 11.739 -2.623 1.170 1.00 0.24 C ATOM 704 C ASN A 44 11.109 -3.978 0.852 1.00 0.22 C ATOM 705 O ASN A 44 10.577 -4.191 -0.220 1.00 0.23 O ATOM 706 CB ASN A 44 13.246 -2.694 0.905 1.00 0.25 C ATOM 707 CG ASN A 44 13.870 -1.312 1.110 1.00 0.95 C ATOM 708 OD1 ASN A 44 13.937 -0.821 2.219 1.00 1.73 O ATOM 709 ND2 ASN A 44 14.332 -0.659 0.079 1.00 1.67 N ATOM 0 H ASN A 44 12.334 -2.266 3.192 1.00 0.24 H new ATOM 0 HA ASN A 44 11.289 -1.856 0.539 1.00 0.24 H new ATOM 0 HB2 ASN A 44 13.710 -3.417 1.577 1.00 0.25 H new ATOM 0 HB3 ASN A 44 13.431 -3.040 -0.112 1.00 0.25 H new ATOM 0 HD21 ASN A 44 14.749 0.263 0.205 1.00 1.67 H new ATOM 0 HD22 ASN A 44 14.276 -1.071 -0.852 1.00 1.67 H new ATOM 716 N TYR A 45 11.170 -4.896 1.774 1.00 0.21 N ATOM 717 CA TYR A 45 10.579 -6.238 1.527 1.00 0.20 C ATOM 718 C TYR A 45 9.072 -6.094 1.308 1.00 0.21 C ATOM 719 O TYR A 45 8.467 -6.849 0.574 1.00 0.22 O ATOM 720 CB TYR A 45 10.851 -7.133 2.735 1.00 0.20 C ATOM 721 CG TYR A 45 10.296 -8.520 2.489 1.00 0.21 C ATOM 722 CD1 TYR A 45 10.798 -9.302 1.439 1.00 1.33 C ATOM 723 CD2 TYR A 45 9.281 -9.028 3.312 1.00 1.12 C ATOM 724 CE1 TYR A 45 10.285 -10.584 1.213 1.00 1.43 C ATOM 725 CE2 TYR A 45 8.771 -10.310 3.085 1.00 1.05 C ATOM 726 CZ TYR A 45 9.272 -11.088 2.035 1.00 0.43 C ATOM 727 OH TYR A 45 8.766 -12.352 1.810 1.00 0.57 O ATOM 0 H TYR A 45 11.604 -4.774 2.689 1.00 0.21 H new ATOM 0 HA TYR A 45 11.026 -6.686 0.640 1.00 0.20 H new ATOM 0 HB2 TYR A 45 11.923 -7.190 2.922 1.00 0.20 H new ATOM 0 HB3 TYR A 45 10.395 -6.703 3.626 1.00 0.20 H new ATOM 0 HD1 TYR A 45 11.581 -8.915 0.804 1.00 1.33 H new ATOM 0 HD2 TYR A 45 8.893 -8.429 4.122 1.00 1.12 H new ATOM 0 HE1 TYR A 45 10.672 -11.185 0.403 1.00 1.43 H new ATOM 0 HE2 TYR A 45 7.990 -10.700 3.720 1.00 1.05 H new ATOM 0 HH TYR A 45 8.070 -12.548 2.471 1.00 0.57 H new ATOM 737 N ALA A 46 8.463 -5.122 1.930 1.00 0.22 N ATOM 738 CA ALA A 46 6.999 -4.925 1.744 1.00 0.24 C ATOM 739 C ALA A 46 6.748 -4.379 0.340 1.00 0.25 C ATOM 740 O ALA A 46 5.720 -4.621 -0.258 1.00 0.28 O ATOM 741 CB ALA A 46 6.474 -3.930 2.781 1.00 0.26 C ATOM 0 H ALA A 46 8.915 -4.457 2.558 1.00 0.22 H new ATOM 0 HA ALA A 46 6.482 -5.876 1.871 1.00 0.24 H new ATOM 0 HB1 ALA A 46 5.402 -3.789 2.640 1.00 0.26 H new ATOM 0 HB2 ALA A 46 6.661 -4.316 3.783 1.00 0.26 H new ATOM 0 HB3 ALA A 46 6.984 -2.975 2.659 1.00 0.26 H new ATOM 747 N TRP A 47 7.685 -3.645 -0.193 1.00 0.26 N ATOM 748 CA TRP A 47 7.502 -3.085 -1.559 1.00 0.29 C ATOM 749 C TRP A 47 7.483 -4.222 -2.579 1.00 0.29 C ATOM 750 O TRP A 47 6.640 -4.268 -3.453 1.00 0.29 O ATOM 751 CB TRP A 47 8.652 -2.122 -1.873 1.00 0.33 C ATOM 752 CG TRP A 47 8.512 -1.590 -3.267 1.00 0.34 C ATOM 753 CD1 TRP A 47 9.402 -1.795 -4.265 1.00 0.38 C ATOM 754 CD2 TRP A 47 7.447 -0.766 -3.832 1.00 0.35 C ATOM 755 NE1 TRP A 47 8.953 -1.155 -5.406 1.00 0.40 N ATOM 756 CE2 TRP A 47 7.753 -0.507 -5.191 1.00 0.38 C ATOM 757 CE3 TRP A 47 6.258 -0.223 -3.308 1.00 0.36 C ATOM 758 CZ2 TRP A 47 6.912 0.260 -5.998 1.00 0.42 C ATOM 759 CZ3 TRP A 47 5.410 0.549 -4.119 1.00 0.42 C ATOM 760 CH2 TRP A 47 5.737 0.790 -5.461 1.00 0.44 C ATOM 0 H TRP A 47 8.569 -3.409 0.259 1.00 0.26 H new ATOM 0 HA TRP A 47 6.557 -2.544 -1.609 1.00 0.29 H new ATOM 0 HB2 TRP A 47 8.652 -1.298 -1.159 1.00 0.33 H new ATOM 0 HB3 TRP A 47 9.607 -2.636 -1.766 1.00 0.33 H new ATOM 0 HD1 TRP A 47 10.315 -2.366 -4.184 1.00 0.38 H new ATOM 0 HE1 TRP A 47 9.448 -1.161 -6.298 1.00 0.40 H new ATOM 0 HE3 TRP A 47 5.996 -0.401 -2.275 1.00 0.36 H new ATOM 0 HZ2 TRP A 47 7.168 0.443 -7.031 1.00 0.42 H new ATOM 0 HZ3 TRP A 47 4.500 0.960 -3.706 1.00 0.42 H new ATOM 0 HH2 TRP A 47 5.081 1.385 -6.079 1.00 0.44 H new ATOM 771 N GLY A 48 8.410 -5.138 -2.492 1.00 0.29 N ATOM 772 CA GLY A 48 8.439 -6.253 -3.476 1.00 0.30 C ATOM 773 C GLY A 48 7.131 -7.039 -3.418 1.00 0.27 C ATOM 774 O GLY A 48 6.583 -7.418 -4.432 1.00 0.29 O ATOM 0 H GLY A 48 9.144 -5.161 -1.785 1.00 0.29 H new ATOM 0 HA2 GLY A 48 8.590 -5.858 -4.480 1.00 0.30 H new ATOM 0 HA3 GLY A 48 9.279 -6.914 -3.263 1.00 0.30 H new ATOM 778 N LEU A 49 6.624 -7.287 -2.245 1.00 0.25 N ATOM 779 CA LEU A 49 5.353 -8.053 -2.141 1.00 0.24 C ATOM 780 C LEU A 49 4.216 -7.272 -2.802 1.00 0.24 C ATOM 781 O LEU A 49 3.259 -7.847 -3.282 1.00 0.29 O ATOM 782 CB LEU A 49 5.021 -8.290 -0.667 1.00 0.23 C ATOM 783 CG LEU A 49 6.088 -9.196 -0.027 1.00 0.23 C ATOM 784 CD1 LEU A 49 6.049 -9.043 1.501 1.00 0.24 C ATOM 785 CD2 LEU A 49 5.822 -10.669 -0.387 1.00 0.26 C ATOM 0 H LEU A 49 7.032 -6.994 -1.357 1.00 0.25 H new ATOM 0 HA LEU A 49 5.470 -9.010 -2.649 1.00 0.24 H new ATOM 0 HB2 LEU A 49 4.976 -7.338 -0.138 1.00 0.23 H new ATOM 0 HB3 LEU A 49 4.038 -8.752 -0.577 1.00 0.23 H new ATOM 0 HG LEU A 49 7.067 -8.901 -0.406 1.00 0.23 H new ATOM 0 HD11 LEU A 49 6.806 -9.686 1.950 1.00 0.24 H new ATOM 0 HD12 LEU A 49 6.249 -8.005 1.768 1.00 0.24 H new ATOM 0 HD13 LEU A 49 5.064 -9.329 1.870 1.00 0.24 H new ATOM 0 HD21 LEU A 49 6.584 -11.299 0.072 1.00 0.26 H new ATOM 0 HD22 LEU A 49 4.839 -10.962 -0.019 1.00 0.26 H new ATOM 0 HD23 LEU A 49 5.855 -10.791 -1.470 1.00 0.26 H new ATOM 797 N ILE A 50 4.297 -5.969 -2.829 1.00 0.24 N ATOM 798 CA ILE A 50 3.200 -5.182 -3.459 1.00 0.26 C ATOM 799 C ILE A 50 3.325 -5.248 -4.982 1.00 0.27 C ATOM 800 O ILE A 50 2.344 -5.148 -5.692 1.00 0.29 O ATOM 801 CB ILE A 50 3.252 -3.726 -2.985 1.00 0.28 C ATOM 802 CG1 ILE A 50 2.906 -3.675 -1.494 1.00 0.32 C ATOM 803 CG2 ILE A 50 2.226 -2.897 -3.763 1.00 0.32 C ATOM 804 CD1 ILE A 50 3.222 -2.286 -0.939 1.00 0.73 C ATOM 0 H ILE A 50 5.067 -5.421 -2.446 1.00 0.24 H new ATOM 0 HA ILE A 50 2.242 -5.608 -3.163 1.00 0.26 H new ATOM 0 HB ILE A 50 4.251 -3.323 -3.153 1.00 0.28 H new ATOM 0 HG12 ILE A 50 1.850 -3.904 -1.348 1.00 0.32 H new ATOM 0 HG13 ILE A 50 3.474 -4.431 -0.953 1.00 0.32 H new ATOM 0 HG21 ILE A 50 2.264 -1.861 -3.425 1.00 0.32 H new ATOM 0 HG22 ILE A 50 2.456 -2.940 -4.828 1.00 0.32 H new ATOM 0 HG23 ILE A 50 1.228 -3.299 -3.591 1.00 0.32 H new ATOM 0 HD11 ILE A 50 2.975 -2.253 0.122 1.00 0.73 H new ATOM 0 HD12 ILE A 50 4.283 -2.074 -1.071 1.00 0.73 H new ATOM 0 HD13 ILE A 50 2.634 -1.539 -1.472 1.00 0.73 H new ATOM 816 N LYS A 51 4.513 -5.427 -5.506 1.00 0.28 N ATOM 817 CA LYS A 51 4.670 -5.510 -6.989 1.00 0.31 C ATOM 818 C LYS A 51 4.198 -6.892 -7.463 1.00 0.31 C ATOM 819 O LYS A 51 4.036 -7.131 -8.645 1.00 0.36 O ATOM 820 CB LYS A 51 6.166 -5.309 -7.341 1.00 0.37 C ATOM 821 CG LYS A 51 6.406 -3.901 -7.905 1.00 0.72 C ATOM 822 CD LYS A 51 7.908 -3.695 -8.132 1.00 0.79 C ATOM 823 CE LYS A 51 8.138 -2.410 -8.932 1.00 0.87 C ATOM 824 NZ LYS A 51 9.591 -2.070 -8.927 1.00 1.58 N ATOM 0 H LYS A 51 5.377 -5.519 -4.972 1.00 0.28 H new ATOM 0 HA LYS A 51 4.075 -4.741 -7.481 1.00 0.31 H new ATOM 0 HB2 LYS A 51 6.777 -5.459 -6.451 1.00 0.37 H new ATOM 0 HB3 LYS A 51 6.477 -6.056 -8.071 1.00 0.37 H new ATOM 0 HG2 LYS A 51 5.864 -3.775 -8.842 1.00 0.72 H new ATOM 0 HG3 LYS A 51 6.025 -3.150 -7.213 1.00 0.72 H new ATOM 0 HD2 LYS A 51 8.425 -3.636 -7.174 1.00 0.79 H new ATOM 0 HD3 LYS A 51 8.325 -4.548 -8.668 1.00 0.79 H new ATOM 0 HE2 LYS A 51 7.788 -2.540 -9.956 1.00 0.87 H new ATOM 0 HE3 LYS A 51 7.561 -1.592 -8.499 1.00 0.87 H new ATOM 0 HZ1 LYS A 51 9.711 -1.056 -9.126 1.00 1.58 H new ATOM 0 HZ2 LYS A 51 9.996 -2.290 -7.995 1.00 1.58 H new ATOM 0 HZ3 LYS A 51 10.080 -2.626 -9.657 1.00 1.58 H new ATOM 838 N SER A 52 3.985 -7.804 -6.553 1.00 0.32 N ATOM 839 CA SER A 52 3.532 -9.164 -6.956 1.00 0.34 C ATOM 840 C SER A 52 2.169 -9.067 -7.639 1.00 0.35 C ATOM 841 O SER A 52 1.478 -8.073 -7.528 1.00 0.36 O ATOM 842 CB SER A 52 3.418 -10.055 -5.719 1.00 0.36 C ATOM 843 OG SER A 52 2.970 -11.347 -6.108 1.00 1.14 O ATOM 0 H SER A 52 4.105 -7.665 -5.550 1.00 0.32 H new ATOM 0 HA SER A 52 4.256 -9.595 -7.648 1.00 0.34 H new ATOM 0 HB2 SER A 52 4.384 -10.128 -5.219 1.00 0.36 H new ATOM 0 HB3 SER A 52 2.722 -9.616 -5.004 1.00 0.36 H new ATOM 0 HG SER A 52 2.898 -11.920 -5.316 1.00 1.14 H new ATOM 849 N THR A 53 1.779 -10.089 -8.349 1.00 0.38 N ATOM 850 CA THR A 53 0.460 -10.059 -9.046 1.00 0.41 C ATOM 851 C THR A 53 -0.624 -10.620 -8.124 1.00 0.40 C ATOM 852 O THR A 53 -1.771 -10.225 -8.197 1.00 0.52 O ATOM 853 CB THR A 53 0.538 -10.905 -10.318 1.00 0.46 C ATOM 854 OG1 THR A 53 0.776 -12.262 -9.971 1.00 0.51 O ATOM 855 CG2 THR A 53 1.678 -10.392 -11.199 1.00 0.49 C ATOM 0 H THR A 53 2.317 -10.946 -8.478 1.00 0.38 H new ATOM 0 HA THR A 53 0.212 -9.030 -9.307 1.00 0.41 H new ATOM 0 HB THR A 53 -0.403 -10.832 -10.864 1.00 0.46 H new ATOM 0 HG1 THR A 53 0.824 -12.804 -10.786 1.00 0.51 H new ATOM 0 HG21 THR A 53 1.736 -10.993 -12.106 1.00 0.49 H new ATOM 0 HG22 THR A 53 1.492 -9.351 -11.465 1.00 0.49 H new ATOM 0 HG23 THR A 53 2.620 -10.465 -10.655 1.00 0.49 H new ATOM 863 N ASP A 54 -0.281 -11.537 -7.253 1.00 0.39 N ATOM 864 CA ASP A 54 -1.316 -12.105 -6.340 1.00 0.38 C ATOM 865 C ASP A 54 -1.572 -11.137 -5.180 1.00 0.37 C ATOM 866 O ASP A 54 -0.711 -10.393 -4.758 1.00 0.36 O ATOM 867 CB ASP A 54 -0.870 -13.468 -5.803 1.00 0.38 C ATOM 868 CG ASP A 54 -0.539 -14.398 -6.972 1.00 1.31 C ATOM 869 OD1 ASP A 54 -1.438 -14.693 -7.742 1.00 2.18 O ATOM 870 OD2 ASP A 54 0.606 -14.807 -7.071 1.00 1.86 O ATOM 0 H ASP A 54 0.660 -11.912 -7.136 1.00 0.39 H new ATOM 0 HA ASP A 54 -2.240 -12.243 -6.901 1.00 0.38 H new ATOM 0 HB2 ASP A 54 0.003 -13.349 -5.161 1.00 0.38 H new ATOM 0 HB3 ASP A 54 -1.659 -13.904 -5.190 1.00 0.38 H new ATOM 875 N VAL A 55 -2.776 -11.159 -4.677 1.00 0.37 N ATOM 876 CA VAL A 55 -3.171 -10.267 -3.547 1.00 0.37 C ATOM 877 C VAL A 55 -2.695 -10.866 -2.220 1.00 0.35 C ATOM 878 O VAL A 55 -2.693 -10.213 -1.197 1.00 0.35 O ATOM 879 CB VAL A 55 -4.705 -10.094 -3.557 1.00 0.39 C ATOM 880 CG1 VAL A 55 -5.390 -11.240 -2.801 1.00 0.42 C ATOM 881 CG2 VAL A 55 -5.083 -8.760 -2.905 1.00 0.40 C ATOM 0 H VAL A 55 -3.520 -11.772 -5.009 1.00 0.37 H new ATOM 0 HA VAL A 55 -2.704 -9.289 -3.662 1.00 0.37 H new ATOM 0 HB VAL A 55 -5.042 -10.107 -4.594 1.00 0.39 H new ATOM 0 HG11 VAL A 55 -6.470 -11.095 -2.822 1.00 0.42 H new ATOM 0 HG12 VAL A 55 -5.142 -12.189 -3.276 1.00 0.42 H new ATOM 0 HG13 VAL A 55 -5.046 -11.251 -1.767 1.00 0.42 H new ATOM 0 HG21 VAL A 55 -6.167 -8.644 -2.915 1.00 0.40 H new ATOM 0 HG22 VAL A 55 -4.726 -8.744 -1.875 1.00 0.40 H new ATOM 0 HG23 VAL A 55 -4.625 -7.941 -3.460 1.00 0.40 H new ATOM 891 N ASN A 56 -2.292 -12.102 -2.232 1.00 0.34 N ATOM 892 CA ASN A 56 -1.812 -12.730 -0.973 1.00 0.34 C ATOM 893 C ASN A 56 -0.532 -12.021 -0.533 1.00 0.31 C ATOM 894 O ASN A 56 -0.364 -11.664 0.617 1.00 0.31 O ATOM 895 CB ASN A 56 -1.532 -14.212 -1.216 1.00 0.36 C ATOM 896 CG ASN A 56 -1.083 -14.860 0.094 1.00 1.34 C ATOM 897 OD1 ASN A 56 0.076 -14.795 0.450 1.00 2.14 O ATOM 898 ND2 ASN A 56 -1.959 -15.485 0.831 1.00 2.11 N ATOM 0 H ASN A 56 -2.274 -12.704 -3.055 1.00 0.34 H new ATOM 0 HA ASN A 56 -2.569 -12.639 -0.194 1.00 0.34 H new ATOM 0 HB2 ASN A 56 -2.427 -14.707 -1.592 1.00 0.36 H new ATOM 0 HB3 ASN A 56 -0.760 -14.329 -1.977 1.00 0.36 H new ATOM 0 HD21 ASN A 56 -1.671 -15.920 1.707 1.00 2.11 H new ATOM 0 HD22 ASN A 56 -2.932 -15.539 0.531 1.00 2.11 H new ATOM 905 N ASP A 57 0.369 -11.809 -1.449 1.00 0.30 N ATOM 906 CA ASP A 57 1.641 -11.119 -1.106 1.00 0.30 C ATOM 907 C ASP A 57 1.362 -9.635 -0.848 1.00 0.29 C ATOM 908 O ASP A 57 1.833 -9.063 0.113 1.00 0.28 O ATOM 909 CB ASP A 57 2.613 -11.258 -2.278 1.00 0.33 C ATOM 910 CG ASP A 57 3.052 -12.718 -2.408 1.00 0.42 C ATOM 911 OD1 ASP A 57 2.311 -13.489 -2.995 1.00 1.09 O ATOM 912 OD2 ASP A 57 4.123 -13.040 -1.919 1.00 1.23 O ATOM 0 H ASP A 57 0.278 -12.086 -2.426 1.00 0.30 H new ATOM 0 HA ASP A 57 2.075 -11.566 -0.211 1.00 0.30 H new ATOM 0 HB2 ASP A 57 2.136 -10.927 -3.201 1.00 0.33 H new ATOM 0 HB3 ASP A 57 3.482 -10.619 -2.121 1.00 0.33 H new ATOM 917 N GLU A 58 0.602 -9.008 -1.704 1.00 0.33 N ATOM 918 CA GLU A 58 0.298 -7.560 -1.514 1.00 0.36 C ATOM 919 C GLU A 58 -0.343 -7.336 -0.143 1.00 0.34 C ATOM 920 O GLU A 58 -0.073 -6.358 0.524 1.00 0.34 O ATOM 921 CB GLU A 58 -0.670 -7.095 -2.603 1.00 0.42 C ATOM 922 CG GLU A 58 -0.882 -5.585 -2.485 1.00 0.92 C ATOM 923 CD GLU A 58 -1.705 -5.087 -3.673 1.00 1.66 C ATOM 924 OE1 GLU A 58 -2.700 -5.719 -3.986 1.00 2.45 O ATOM 925 OE2 GLU A 58 -1.327 -4.080 -4.250 1.00 2.21 O ATOM 0 H GLU A 58 0.178 -9.436 -2.527 1.00 0.33 H new ATOM 0 HA GLU A 58 1.226 -6.991 -1.576 1.00 0.36 H new ATOM 0 HB2 GLU A 58 -0.272 -7.341 -3.588 1.00 0.42 H new ATOM 0 HB3 GLU A 58 -1.623 -7.616 -2.504 1.00 0.42 H new ATOM 0 HG2 GLU A 58 -1.394 -5.352 -1.552 1.00 0.92 H new ATOM 0 HG3 GLU A 58 0.080 -5.074 -2.457 1.00 0.92 H new ATOM 932 N ARG A 59 -1.195 -8.229 0.280 1.00 0.33 N ATOM 933 CA ARG A 59 -1.856 -8.061 1.599 1.00 0.34 C ATOM 934 C ARG A 59 -0.834 -8.269 2.716 1.00 0.30 C ATOM 935 O ARG A 59 -0.986 -7.759 3.808 1.00 0.31 O ATOM 936 CB ARG A 59 -2.996 -9.078 1.733 1.00 0.40 C ATOM 937 CG ARG A 59 -3.938 -8.647 2.862 1.00 0.68 C ATOM 938 CD ARG A 59 -4.773 -9.842 3.343 1.00 0.95 C ATOM 939 NE ARG A 59 -6.052 -9.357 3.957 1.00 1.62 N ATOM 940 CZ ARG A 59 -6.066 -8.433 4.884 1.00 2.13 C ATOM 941 NH1 ARG A 59 -4.959 -8.034 5.452 1.00 2.23 N ATOM 942 NH2 ARG A 59 -7.209 -7.947 5.285 1.00 3.12 N ATOM 0 H ARG A 59 -1.461 -9.069 -0.234 1.00 0.33 H new ATOM 0 HA ARG A 59 -2.265 -7.054 1.676 1.00 0.34 H new ATOM 0 HB2 ARG A 59 -3.546 -9.149 0.794 1.00 0.40 H new ATOM 0 HB3 ARG A 59 -2.591 -10.068 1.941 1.00 0.40 H new ATOM 0 HG2 ARG A 59 -3.360 -8.241 3.692 1.00 0.68 H new ATOM 0 HG3 ARG A 59 -4.596 -7.852 2.512 1.00 0.68 H new ATOM 0 HD2 ARG A 59 -4.990 -10.506 2.506 1.00 0.95 H new ATOM 0 HD3 ARG A 59 -4.207 -10.423 4.071 1.00 0.95 H new ATOM 0 HE ARG A 59 -6.936 -9.758 3.644 1.00 1.62 H new ATOM 0 HH11 ARG A 59 -4.067 -8.444 5.175 1.00 2.23 H new ATOM 0 HH12 ARG A 59 -4.987 -7.313 6.173 1.00 2.23 H new ATOM 0 HH21 ARG A 59 -8.079 -8.288 4.877 1.00 3.12 H new ATOM 0 HH22 ARG A 59 -7.232 -7.227 6.007 1.00 3.12 H new ATOM 956 N LEU A 60 0.214 -8.999 2.459 1.00 0.28 N ATOM 957 CA LEU A 60 1.236 -9.198 3.519 1.00 0.27 C ATOM 958 C LEU A 60 2.047 -7.906 3.636 1.00 0.25 C ATOM 959 O LEU A 60 2.422 -7.485 4.713 1.00 0.26 O ATOM 960 CB LEU A 60 2.150 -10.369 3.136 1.00 0.29 C ATOM 961 CG LEU A 60 3.283 -10.527 4.161 1.00 0.30 C ATOM 962 CD1 LEU A 60 2.701 -10.781 5.560 1.00 0.32 C ATOM 963 CD2 LEU A 60 4.164 -11.711 3.748 1.00 0.34 C ATOM 0 H LEU A 60 0.405 -9.462 1.570 1.00 0.28 H new ATOM 0 HA LEU A 60 0.764 -9.430 4.474 1.00 0.27 H new ATOM 0 HB2 LEU A 60 1.568 -11.289 3.084 1.00 0.29 H new ATOM 0 HB3 LEU A 60 2.570 -10.201 2.144 1.00 0.29 H new ATOM 0 HG LEU A 60 3.876 -9.613 4.190 1.00 0.30 H new ATOM 0 HD11 LEU A 60 3.514 -10.891 6.278 1.00 0.32 H new ATOM 0 HD12 LEU A 60 2.072 -9.940 5.851 1.00 0.32 H new ATOM 0 HD13 LEU A 60 2.104 -11.693 5.546 1.00 0.32 H new ATOM 0 HD21 LEU A 60 4.972 -11.832 4.469 1.00 0.34 H new ATOM 0 HD22 LEU A 60 3.563 -12.620 3.721 1.00 0.34 H new ATOM 0 HD23 LEU A 60 4.585 -11.524 2.760 1.00 0.34 H new ATOM 975 N GLY A 61 2.320 -7.277 2.524 1.00 0.22 N ATOM 976 CA GLY A 61 3.104 -6.010 2.542 1.00 0.21 C ATOM 977 C GLY A 61 2.376 -4.952 3.377 1.00 0.20 C ATOM 978 O GLY A 61 2.988 -4.232 4.140 1.00 0.21 O ATOM 0 H GLY A 61 2.031 -7.590 1.597 1.00 0.22 H new ATOM 0 HA2 GLY A 61 4.095 -6.193 2.957 1.00 0.21 H new ATOM 0 HA3 GLY A 61 3.246 -5.647 1.524 1.00 0.21 H new ATOM 982 N VAL A 62 1.078 -4.841 3.242 1.00 0.20 N ATOM 983 CA VAL A 62 0.344 -3.814 4.040 1.00 0.21 C ATOM 984 C VAL A 62 0.511 -4.144 5.531 1.00 0.22 C ATOM 985 O VAL A 62 0.816 -3.286 6.335 1.00 0.25 O ATOM 986 CB VAL A 62 -1.164 -3.791 3.629 1.00 0.23 C ATOM 987 CG1 VAL A 62 -2.083 -3.664 4.860 1.00 0.28 C ATOM 988 CG2 VAL A 62 -1.453 -2.604 2.683 1.00 0.31 C ATOM 0 H VAL A 62 0.502 -5.410 2.622 1.00 0.20 H new ATOM 0 HA VAL A 62 0.751 -2.822 3.846 1.00 0.21 H new ATOM 0 HB VAL A 62 -1.369 -4.734 3.122 1.00 0.23 H new ATOM 0 HG11 VAL A 62 -3.124 -3.651 4.537 1.00 0.28 H new ATOM 0 HG12 VAL A 62 -1.920 -4.512 5.525 1.00 0.28 H new ATOM 0 HG13 VAL A 62 -1.856 -2.739 5.390 1.00 0.28 H new ATOM 0 HG21 VAL A 62 -2.508 -2.606 2.409 1.00 0.31 H new ATOM 0 HG22 VAL A 62 -1.211 -1.669 3.188 1.00 0.31 H new ATOM 0 HG23 VAL A 62 -0.844 -2.699 1.784 1.00 0.31 H new ATOM 998 N LYS A 63 0.307 -5.376 5.903 1.00 0.24 N ATOM 999 CA LYS A 63 0.448 -5.746 7.336 1.00 0.28 C ATOM 1000 C LYS A 63 1.825 -5.306 7.839 1.00 0.26 C ATOM 1001 O LYS A 63 1.984 -4.916 8.979 1.00 0.29 O ATOM 1002 CB LYS A 63 0.309 -7.264 7.486 1.00 0.33 C ATOM 1003 CG LYS A 63 0.220 -7.648 8.983 1.00 0.47 C ATOM 1004 CD LYS A 63 0.917 -8.999 9.233 1.00 0.58 C ATOM 1005 CE LYS A 63 2.421 -8.781 9.432 1.00 1.60 C ATOM 1006 NZ LYS A 63 3.098 -10.100 9.581 1.00 2.36 N ATOM 0 H LYS A 63 0.050 -6.140 5.278 1.00 0.24 H new ATOM 0 HA LYS A 63 -0.328 -5.252 7.920 1.00 0.28 H new ATOM 0 HB2 LYS A 63 -0.582 -7.608 6.961 1.00 0.33 H new ATOM 0 HB3 LYS A 63 1.162 -7.762 7.026 1.00 0.33 H new ATOM 0 HG2 LYS A 63 0.686 -6.873 9.592 1.00 0.47 H new ATOM 0 HG3 LYS A 63 -0.825 -7.709 9.288 1.00 0.47 H new ATOM 0 HD2 LYS A 63 0.491 -9.481 10.113 1.00 0.58 H new ATOM 0 HD3 LYS A 63 0.746 -9.668 8.390 1.00 0.58 H new ATOM 0 HE2 LYS A 63 2.837 -8.241 8.582 1.00 1.60 H new ATOM 0 HE3 LYS A 63 2.597 -8.168 10.316 1.00 1.60 H new ATOM 0 HZ1 LYS A 63 4.119 -9.953 9.716 1.00 2.36 H new ATOM 0 HZ2 LYS A 63 2.708 -10.599 10.406 1.00 2.36 H new ATOM 0 HZ3 LYS A 63 2.941 -10.670 8.725 1.00 2.36 H new ATOM 1020 N ILE A 64 2.822 -5.361 6.998 1.00 0.25 N ATOM 1021 CA ILE A 64 4.185 -4.938 7.426 1.00 0.25 C ATOM 1022 C ILE A 64 4.245 -3.402 7.447 1.00 0.22 C ATOM 1023 O ILE A 64 4.728 -2.801 8.386 1.00 0.22 O ATOM 1024 CB ILE A 64 5.221 -5.496 6.434 1.00 0.28 C ATOM 1025 CG1 ILE A 64 5.427 -6.992 6.697 1.00 0.33 C ATOM 1026 CG2 ILE A 64 6.561 -4.770 6.597 1.00 0.32 C ATOM 1027 CD1 ILE A 64 6.132 -7.630 5.497 1.00 0.35 C ATOM 0 H ILE A 64 2.751 -5.681 6.032 1.00 0.25 H new ATOM 0 HA ILE A 64 4.405 -5.321 8.423 1.00 0.25 H new ATOM 0 HB ILE A 64 4.852 -5.342 5.420 1.00 0.28 H new ATOM 0 HG12 ILE A 64 6.021 -7.135 7.599 1.00 0.33 H new ATOM 0 HG13 ILE A 64 4.466 -7.478 6.868 1.00 0.33 H new ATOM 0 HG21 ILE A 64 7.283 -5.176 5.889 1.00 0.32 H new ATOM 0 HG22 ILE A 64 6.424 -3.706 6.406 1.00 0.32 H new ATOM 0 HG23 ILE A 64 6.930 -4.911 7.613 1.00 0.32 H new ATOM 0 HD11 ILE A 64 6.278 -8.694 5.684 1.00 0.35 H new ATOM 0 HD12 ILE A 64 5.521 -7.500 4.604 1.00 0.35 H new ATOM 0 HD13 ILE A 64 7.100 -7.152 5.347 1.00 0.35 H new ATOM 1039 N LEU A 65 3.767 -2.770 6.409 1.00 0.20 N ATOM 1040 CA LEU A 65 3.797 -1.279 6.345 1.00 0.19 C ATOM 1041 C LEU A 65 2.936 -0.685 7.462 1.00 0.19 C ATOM 1042 O LEU A 65 3.175 0.417 7.917 1.00 0.20 O ATOM 1043 CB LEU A 65 3.260 -0.805 4.986 1.00 0.22 C ATOM 1044 CG LEU A 65 4.324 -1.014 3.887 1.00 0.29 C ATOM 1045 CD1 LEU A 65 3.634 -1.157 2.527 1.00 0.69 C ATOM 1046 CD2 LEU A 65 5.275 0.191 3.832 1.00 0.42 C ATOM 0 H LEU A 65 3.354 -3.226 5.596 1.00 0.20 H new ATOM 0 HA LEU A 65 4.827 -0.945 6.469 1.00 0.19 H new ATOM 0 HB2 LEU A 65 2.354 -1.355 4.733 1.00 0.22 H new ATOM 0 HB3 LEU A 65 2.988 0.249 5.042 1.00 0.22 H new ATOM 0 HG LEU A 65 4.892 -1.915 4.118 1.00 0.29 H new ATOM 0 HD11 LEU A 65 4.386 -1.305 1.751 1.00 0.69 H new ATOM 0 HD12 LEU A 65 2.962 -2.015 2.549 1.00 0.69 H new ATOM 0 HD13 LEU A 65 3.063 -0.254 2.312 1.00 0.69 H new ATOM 0 HD21 LEU A 65 6.020 0.031 3.053 1.00 0.42 H new ATOM 0 HD22 LEU A 65 4.706 1.094 3.610 1.00 0.42 H new ATOM 0 HD23 LEU A 65 5.774 0.305 4.794 1.00 0.42 H new ATOM 1058 N THR A 66 1.935 -1.397 7.911 1.00 0.21 N ATOM 1059 CA THR A 66 1.066 -0.874 8.996 1.00 0.25 C ATOM 1060 C THR A 66 1.713 -1.149 10.351 1.00 0.28 C ATOM 1061 O THR A 66 1.473 -0.458 11.323 1.00 0.31 O ATOM 1062 CB THR A 66 -0.285 -1.578 8.920 1.00 0.29 C ATOM 1063 OG1 THR A 66 -0.862 -1.346 7.644 1.00 0.43 O ATOM 1064 CG2 THR A 66 -1.200 -1.033 10.007 1.00 0.36 C ATOM 0 H THR A 66 1.684 -2.324 7.567 1.00 0.21 H new ATOM 0 HA THR A 66 0.933 0.202 8.880 1.00 0.25 H new ATOM 0 HB THR A 66 -0.152 -2.650 9.067 1.00 0.29 H new ATOM 0 HG1 THR A 66 -0.420 -1.913 6.977 1.00 0.43 H new ATOM 0 HG21 THR A 66 -2.166 -1.535 9.955 1.00 0.36 H new ATOM 0 HG22 THR A 66 -0.751 -1.212 10.984 1.00 0.36 H new ATOM 0 HG23 THR A 66 -1.339 0.038 9.862 1.00 0.36 H new ATOM 1072 N ASP A 67 2.544 -2.149 10.421 1.00 0.29 N ATOM 1073 CA ASP A 67 3.226 -2.451 11.702 1.00 0.34 C ATOM 1074 C ASP A 67 4.367 -1.451 11.862 1.00 0.32 C ATOM 1075 O ASP A 67 4.596 -0.904 12.923 1.00 0.35 O ATOM 1076 CB ASP A 67 3.765 -3.881 11.676 1.00 0.40 C ATOM 1077 CG ASP A 67 4.281 -4.251 13.065 1.00 1.30 C ATOM 1078 OD1 ASP A 67 4.731 -3.359 13.765 1.00 2.12 O ATOM 1079 OD2 ASP A 67 4.216 -5.420 13.407 1.00 1.94 O ATOM 0 H ASP A 67 2.779 -2.769 9.645 1.00 0.29 H new ATOM 0 HA ASP A 67 2.534 -2.369 12.540 1.00 0.34 H new ATOM 0 HB2 ASP A 67 2.980 -4.572 11.371 1.00 0.40 H new ATOM 0 HB3 ASP A 67 4.567 -3.966 10.943 1.00 0.40 H new ATOM 1084 N ILE A 68 5.070 -1.201 10.794 1.00 0.30 N ATOM 1085 CA ILE A 68 6.190 -0.226 10.828 1.00 0.29 C ATOM 1086 C ILE A 68 5.612 1.179 11.031 1.00 0.27 C ATOM 1087 O ILE A 68 6.249 2.050 11.588 1.00 0.31 O ATOM 1088 CB ILE A 68 6.941 -0.293 9.492 1.00 0.30 C ATOM 1089 CG1 ILE A 68 7.508 -1.703 9.301 1.00 0.34 C ATOM 1090 CG2 ILE A 68 8.093 0.714 9.483 1.00 0.33 C ATOM 1091 CD1 ILE A 68 7.951 -1.883 7.847 1.00 0.35 C ATOM 0 H ILE A 68 4.912 -1.639 9.886 1.00 0.30 H new ATOM 0 HA ILE A 68 6.876 -0.458 11.642 1.00 0.29 H new ATOM 0 HB ILE A 68 6.250 -0.054 8.684 1.00 0.30 H new ATOM 0 HG12 ILE A 68 8.353 -1.861 9.972 1.00 0.34 H new ATOM 0 HG13 ILE A 68 6.754 -2.447 9.557 1.00 0.34 H new ATOM 0 HG21 ILE A 68 8.619 0.657 8.530 1.00 0.33 H new ATOM 0 HG22 ILE A 68 7.698 1.720 9.620 1.00 0.33 H new ATOM 0 HG23 ILE A 68 8.785 0.483 10.293 1.00 0.33 H new ATOM 0 HD11 ILE A 68 8.355 -2.886 7.711 1.00 0.35 H new ATOM 0 HD12 ILE A 68 7.096 -1.743 7.186 1.00 0.35 H new ATOM 0 HD13 ILE A 68 8.719 -1.148 7.607 1.00 0.35 H new ATOM 1103 N TYR A 69 4.406 1.398 10.581 1.00 0.26 N ATOM 1104 CA TYR A 69 3.779 2.739 10.746 1.00 0.26 C ATOM 1105 C TYR A 69 3.552 3.017 12.237 1.00 0.28 C ATOM 1106 O TYR A 69 3.905 4.062 12.746 1.00 0.34 O ATOM 1107 CB TYR A 69 2.433 2.771 10.004 1.00 0.29 C ATOM 1108 CG TYR A 69 1.713 4.064 10.314 1.00 0.27 C ATOM 1109 CD1 TYR A 69 1.926 5.193 9.515 1.00 1.25 C ATOM 1110 CD2 TYR A 69 0.842 4.136 11.408 1.00 1.22 C ATOM 1111 CE1 TYR A 69 1.272 6.396 9.812 1.00 1.28 C ATOM 1112 CE2 TYR A 69 0.184 5.338 11.702 1.00 1.23 C ATOM 1113 CZ TYR A 69 0.401 6.468 10.905 1.00 0.38 C ATOM 1114 OH TYR A 69 -0.238 7.656 11.200 1.00 0.47 O ATOM 0 H TYR A 69 3.828 0.705 10.106 1.00 0.26 H new ATOM 0 HA TYR A 69 4.438 3.502 10.332 1.00 0.26 H new ATOM 0 HB2 TYR A 69 2.596 2.683 8.930 1.00 0.29 H new ATOM 0 HB3 TYR A 69 1.820 1.921 10.304 1.00 0.29 H new ATOM 0 HD1 TYR A 69 2.595 5.137 8.669 1.00 1.25 H new ATOM 0 HD2 TYR A 69 0.677 3.265 12.025 1.00 1.22 H new ATOM 0 HE1 TYR A 69 1.440 7.268 9.197 1.00 1.28 H new ATOM 0 HE2 TYR A 69 -0.491 5.392 12.544 1.00 1.23 H new ATOM 0 HH TYR A 69 -0.807 7.534 11.988 1.00 0.47 H new ATOM 1124 N LYS A 70 2.952 2.091 12.933 1.00 0.31 N ATOM 1125 CA LYS A 70 2.679 2.291 14.388 1.00 0.38 C ATOM 1126 C LYS A 70 3.959 2.142 15.217 1.00 0.38 C ATOM 1127 O LYS A 70 4.043 2.637 16.323 1.00 0.45 O ATOM 1128 CB LYS A 70 1.667 1.251 14.865 1.00 0.50 C ATOM 1129 CG LYS A 70 0.412 1.314 13.998 1.00 0.79 C ATOM 1130 CD LYS A 70 -0.589 0.271 14.493 1.00 0.88 C ATOM 1131 CE LYS A 70 -1.837 0.299 13.613 1.00 1.50 C ATOM 1132 NZ LYS A 70 -2.744 -0.815 14.006 1.00 2.26 N ATOM 0 H LYS A 70 2.636 1.198 12.555 1.00 0.31 H new ATOM 0 HA LYS A 70 2.286 3.299 14.521 1.00 0.38 H new ATOM 0 HB2 LYS A 70 2.105 0.254 14.815 1.00 0.50 H new ATOM 0 HB3 LYS A 70 1.409 1.433 15.908 1.00 0.50 H new ATOM 0 HG2 LYS A 70 -0.028 2.310 14.045 1.00 0.79 H new ATOM 0 HG3 LYS A 70 0.666 1.127 12.955 1.00 0.79 H new ATOM 0 HD2 LYS A 70 -0.137 -0.721 14.469 1.00 0.88 H new ATOM 0 HD3 LYS A 70 -0.858 0.474 15.530 1.00 0.88 H new ATOM 0 HE2 LYS A 70 -2.350 1.255 13.720 1.00 1.50 H new ATOM 0 HE3 LYS A 70 -1.558 0.203 12.564 1.00 1.50 H new ATOM 0 HZ1 LYS A 70 -3.595 -0.798 13.408 1.00 2.26 H new ATOM 0 HZ2 LYS A 70 -2.252 -1.723 13.882 1.00 2.26 H new ATOM 0 HZ3 LYS A 70 -3.019 -0.703 15.003 1.00 2.26 H new ATOM 1146 N GLU A 71 4.949 1.450 14.713 1.00 0.40 N ATOM 1147 CA GLU A 71 6.212 1.259 15.497 1.00 0.52 C ATOM 1148 C GLU A 71 7.266 2.281 15.055 1.00 0.55 C ATOM 1149 O GLU A 71 8.091 2.707 15.839 1.00 1.13 O ATOM 1150 CB GLU A 71 6.732 -0.168 15.269 1.00 0.63 C ATOM 1151 CG GLU A 71 7.705 -0.564 16.385 1.00 0.99 C ATOM 1152 CD GLU A 71 8.969 0.290 16.292 1.00 1.55 C ATOM 1153 OE1 GLU A 71 9.690 0.142 15.319 1.00 2.13 O ATOM 1154 OE2 GLU A 71 9.195 1.079 17.195 1.00 2.27 O ATOM 0 H GLU A 71 4.940 1.008 13.794 1.00 0.40 H new ATOM 0 HA GLU A 71 6.009 1.408 16.558 1.00 0.52 H new ATOM 0 HB2 GLU A 71 5.896 -0.867 15.241 1.00 0.63 H new ATOM 0 HB3 GLU A 71 7.232 -0.230 14.302 1.00 0.63 H new ATOM 0 HG2 GLU A 71 7.233 -0.428 17.358 1.00 0.99 H new ATOM 0 HG3 GLU A 71 7.961 -1.620 16.300 1.00 0.99 H new ATOM 1161 N ALA A 72 7.252 2.684 13.814 1.00 0.59 N ATOM 1162 CA ALA A 72 8.262 3.680 13.344 1.00 0.57 C ATOM 1163 C ALA A 72 7.731 5.100 13.560 1.00 0.65 C ATOM 1164 O ALA A 72 6.718 5.306 14.198 1.00 1.23 O ATOM 1165 CB ALA A 72 8.540 3.454 11.858 1.00 0.60 C ATOM 0 H ALA A 72 6.589 2.369 13.106 1.00 0.59 H new ATOM 0 HA ALA A 72 9.185 3.556 13.911 1.00 0.57 H new ATOM 0 HB1 ALA A 72 9.277 4.179 11.511 1.00 0.60 H new ATOM 0 HB2 ALA A 72 8.926 2.445 11.709 1.00 0.60 H new ATOM 0 HB3 ALA A 72 7.616 3.576 11.292 1.00 0.60 H new ATOM 1171 N GLU A 73 8.413 6.084 13.029 1.00 0.71 N ATOM 1172 CA GLU A 73 7.959 7.504 13.193 1.00 0.77 C ATOM 1173 C GLU A 73 8.211 8.271 11.890 1.00 0.65 C ATOM 1174 O GLU A 73 7.535 8.057 10.912 1.00 1.06 O ATOM 1175 CB GLU A 73 8.730 8.170 14.340 1.00 1.08 C ATOM 1176 CG GLU A 73 10.231 7.824 14.255 1.00 1.79 C ATOM 1177 CD GLU A 73 10.525 6.549 15.055 1.00 2.15 C ATOM 1178 OE1 GLU A 73 9.610 5.765 15.240 1.00 2.60 O ATOM 1179 OE2 GLU A 73 11.659 6.383 15.474 1.00 2.62 O ATOM 0 H GLU A 73 9.269 5.967 12.486 1.00 0.71 H new ATOM 0 HA GLU A 73 6.894 7.518 13.426 1.00 0.77 H new ATOM 0 HB2 GLU A 73 8.597 9.251 14.296 1.00 1.08 H new ATOM 0 HB3 GLU A 73 8.328 7.838 15.297 1.00 1.08 H new ATOM 0 HG2 GLU A 73 10.521 7.684 13.214 1.00 1.79 H new ATOM 0 HG3 GLU A 73 10.825 8.651 14.643 1.00 1.79 H new ATOM 1186 N SER A 74 9.168 9.172 11.873 1.00 0.75 N ATOM 1187 CA SER A 74 9.452 9.957 10.624 1.00 0.62 C ATOM 1188 C SER A 74 9.291 9.077 9.374 1.00 0.55 C ATOM 1189 O SER A 74 8.967 9.557 8.306 1.00 0.63 O ATOM 1190 CB SER A 74 10.885 10.488 10.676 1.00 0.82 C ATOM 1191 OG SER A 74 11.176 11.174 9.465 1.00 1.55 O ATOM 0 H SER A 74 9.764 9.398 12.669 1.00 0.75 H new ATOM 0 HA SER A 74 8.742 10.782 10.566 1.00 0.62 H new ATOM 0 HB2 SER A 74 11.006 11.160 11.526 1.00 0.82 H new ATOM 0 HB3 SER A 74 11.585 9.665 10.818 1.00 0.82 H new ATOM 0 HG SER A 74 12.093 11.517 9.496 1.00 1.55 H new ATOM 1197 N ARG A 75 9.509 7.793 9.498 1.00 0.48 N ATOM 1198 CA ARG A 75 9.364 6.893 8.321 1.00 0.45 C ATOM 1199 C ARG A 75 7.884 6.763 7.955 1.00 0.42 C ATOM 1200 O ARG A 75 7.522 6.065 7.029 1.00 0.50 O ATOM 1201 CB ARG A 75 9.938 5.517 8.666 1.00 0.52 C ATOM 1202 CG ARG A 75 11.470 5.591 8.670 1.00 0.81 C ATOM 1203 CD ARG A 75 12.066 4.208 8.974 1.00 1.10 C ATOM 1204 NE ARG A 75 13.396 4.363 9.650 1.00 1.49 N ATOM 1205 CZ ARG A 75 14.322 5.159 9.176 1.00 2.08 C ATOM 1206 NH1 ARG A 75 14.189 5.728 8.007 1.00 2.63 N ATOM 1207 NH2 ARG A 75 15.418 5.344 9.860 1.00 2.72 N ATOM 0 H ARG A 75 9.781 7.331 10.366 1.00 0.48 H new ATOM 0 HA ARG A 75 9.905 7.308 7.471 1.00 0.45 H new ATOM 0 HB2 ARG A 75 9.576 5.194 9.642 1.00 0.52 H new ATOM 0 HB3 ARG A 75 9.600 4.777 7.940 1.00 0.52 H new ATOM 0 HG2 ARG A 75 11.827 5.945 7.703 1.00 0.81 H new ATOM 0 HG3 ARG A 75 11.805 6.312 9.416 1.00 0.81 H new ATOM 0 HD2 ARG A 75 11.387 3.642 9.612 1.00 1.10 H new ATOM 0 HD3 ARG A 75 12.182 3.641 8.050 1.00 1.10 H new ATOM 0 HE ARG A 75 13.584 3.834 10.502 1.00 1.49 H new ATOM 0 HH11 ARG A 75 13.354 5.555 7.448 1.00 2.63 H new ATOM 0 HH12 ARG A 75 14.920 6.345 7.654 1.00 2.63 H new ATOM 0 HH21 ARG A 75 15.547 4.871 10.754 1.00 2.72 H new ATOM 0 HH22 ARG A 75 16.146 5.962 9.500 1.00 2.72 H new ATOM 1221 N ARG A 76 7.025 7.435 8.670 1.00 0.41 N ATOM 1222 CA ARG A 76 5.572 7.358 8.360 1.00 0.47 C ATOM 1223 C ARG A 76 5.317 8.036 7.010 1.00 0.43 C ATOM 1224 O ARG A 76 4.473 7.618 6.242 1.00 0.45 O ATOM 1225 CB ARG A 76 4.781 8.079 9.462 1.00 0.57 C ATOM 1226 CG ARG A 76 4.653 7.167 10.689 1.00 1.08 C ATOM 1227 CD ARG A 76 4.072 7.954 11.867 1.00 1.14 C ATOM 1228 NE ARG A 76 4.915 9.152 12.140 1.00 1.76 N ATOM 1229 CZ ARG A 76 4.449 10.116 12.887 1.00 2.01 C ATOM 1230 NH1 ARG A 76 3.247 10.026 13.387 1.00 1.55 N ATOM 1231 NH2 ARG A 76 5.182 11.167 13.135 1.00 3.05 N ATOM 0 H ARG A 76 7.268 8.036 9.458 1.00 0.41 H new ATOM 0 HA ARG A 76 5.253 6.317 8.312 1.00 0.47 H new ATOM 0 HB2 ARG A 76 5.284 9.006 9.737 1.00 0.57 H new ATOM 0 HB3 ARG A 76 3.792 8.351 9.094 1.00 0.57 H new ATOM 0 HG2 ARG A 76 4.011 6.318 10.456 1.00 1.08 H new ATOM 0 HG3 ARG A 76 5.630 6.764 10.956 1.00 1.08 H new ATOM 0 HD2 ARG A 76 3.050 8.261 11.643 1.00 1.14 H new ATOM 0 HD3 ARG A 76 4.027 7.320 12.753 1.00 1.14 H new ATOM 0 HE ARG A 76 5.853 9.219 11.745 1.00 1.76 H new ATOM 0 HH11 ARG A 76 2.675 9.204 13.194 1.00 1.55 H new ATOM 0 HH12 ARG A 76 2.880 10.777 13.971 1.00 1.55 H new ATOM 0 HH21 ARG A 76 6.122 11.237 12.745 1.00 3.05 H new ATOM 0 HH22 ARG A 76 4.815 11.918 13.719 1.00 3.05 H new ATOM 1245 N ARG A 77 6.043 9.083 6.718 1.00 0.40 N ATOM 1246 CA ARG A 77 5.845 9.797 5.423 1.00 0.43 C ATOM 1247 C ARG A 77 5.928 8.800 4.266 1.00 0.39 C ATOM 1248 O ARG A 77 5.074 8.764 3.403 1.00 0.39 O ATOM 1249 CB ARG A 77 6.938 10.855 5.250 1.00 0.48 C ATOM 1250 CG ARG A 77 6.767 11.953 6.303 1.00 1.10 C ATOM 1251 CD ARG A 77 8.049 12.786 6.386 1.00 1.24 C ATOM 1252 NE ARG A 77 8.454 13.213 5.017 1.00 1.80 N ATOM 1253 CZ ARG A 77 9.336 14.164 4.864 1.00 2.30 C ATOM 1254 NH1 ARG A 77 9.865 14.736 5.911 1.00 2.43 N ATOM 1255 NH2 ARG A 77 9.688 14.541 3.666 1.00 3.22 N ATOM 0 H ARG A 77 6.766 9.475 7.322 1.00 0.40 H new ATOM 0 HA ARG A 77 4.865 10.275 5.425 1.00 0.43 H new ATOM 0 HB2 ARG A 77 7.921 10.395 5.347 1.00 0.48 H new ATOM 0 HB3 ARG A 77 6.885 11.286 4.250 1.00 0.48 H new ATOM 0 HG2 ARG A 77 5.922 12.591 6.044 1.00 1.10 H new ATOM 0 HG3 ARG A 77 6.546 11.509 7.274 1.00 1.10 H new ATOM 0 HD2 ARG A 77 7.888 13.659 7.018 1.00 1.24 H new ATOM 0 HD3 ARG A 77 8.846 12.202 6.847 1.00 1.24 H new ATOM 0 HE ARG A 77 8.042 12.763 4.200 1.00 1.80 H new ATOM 0 HH11 ARG A 77 9.590 14.440 6.847 1.00 2.43 H new ATOM 0 HH12 ARG A 77 10.554 15.479 5.793 1.00 2.43 H new ATOM 0 HH21 ARG A 77 9.274 14.093 2.848 1.00 3.22 H new ATOM 0 HH22 ARG A 77 10.377 15.284 3.547 1.00 3.22 H new ATOM 1269 N GLU A 78 6.948 7.989 4.238 1.00 0.36 N ATOM 1270 CA GLU A 78 7.073 6.999 3.133 1.00 0.36 C ATOM 1271 C GLU A 78 5.978 5.941 3.277 1.00 0.30 C ATOM 1272 O GLU A 78 5.487 5.405 2.305 1.00 0.32 O ATOM 1273 CB GLU A 78 8.446 6.325 3.201 1.00 0.40 C ATOM 1274 CG GLU A 78 9.540 7.368 2.967 1.00 0.91 C ATOM 1275 CD GLU A 78 10.914 6.722 3.158 1.00 1.56 C ATOM 1276 OE1 GLU A 78 11.116 6.101 4.188 1.00 2.33 O ATOM 1277 OE2 GLU A 78 11.740 6.860 2.270 1.00 2.13 O ATOM 0 H GLU A 78 7.698 7.969 4.929 1.00 0.36 H new ATOM 0 HA GLU A 78 6.968 7.507 2.175 1.00 0.36 H new ATOM 0 HB2 GLU A 78 8.582 5.852 4.173 1.00 0.40 H new ATOM 0 HB3 GLU A 78 8.514 5.537 2.451 1.00 0.40 H new ATOM 0 HG2 GLU A 78 9.456 7.778 1.961 1.00 0.91 H new ATOM 0 HG3 GLU A 78 9.418 8.200 3.661 1.00 0.91 H new ATOM 1284 N CYS A 79 5.594 5.636 4.485 1.00 0.27 N ATOM 1285 CA CYS A 79 4.534 4.609 4.695 1.00 0.25 C ATOM 1286 C CYS A 79 3.169 5.160 4.268 1.00 0.23 C ATOM 1287 O CYS A 79 2.392 4.479 3.629 1.00 0.24 O ATOM 1288 CB CYS A 79 4.487 4.224 6.175 1.00 0.29 C ATOM 1289 SG CYS A 79 3.580 2.669 6.365 1.00 1.19 S ATOM 0 H CYS A 79 5.968 6.053 5.337 1.00 0.27 H new ATOM 0 HA CYS A 79 4.766 3.731 4.092 1.00 0.25 H new ATOM 0 HB2 CYS A 79 5.499 4.118 6.566 1.00 0.29 H new ATOM 0 HB3 CYS A 79 4.003 5.012 6.752 1.00 0.29 H new ATOM 0 HG CYS A 79 4.035 2.025 7.398 1.00 1.19 H new ATOM 1295 N LEU A 80 2.863 6.382 4.616 1.00 0.23 N ATOM 1296 CA LEU A 80 1.539 6.951 4.225 1.00 0.23 C ATOM 1297 C LEU A 80 1.380 6.865 2.703 1.00 0.21 C ATOM 1298 O LEU A 80 0.326 6.531 2.198 1.00 0.21 O ATOM 1299 CB LEU A 80 1.446 8.416 4.675 1.00 0.26 C ATOM 1300 CG LEU A 80 1.334 8.494 6.212 1.00 0.27 C ATOM 1301 CD1 LEU A 80 1.770 9.882 6.693 1.00 0.34 C ATOM 1302 CD2 LEU A 80 -0.116 8.250 6.661 1.00 0.42 C ATOM 0 H LEU A 80 3.467 7.007 5.150 1.00 0.23 H new ATOM 0 HA LEU A 80 0.744 6.382 4.707 1.00 0.23 H new ATOM 0 HB2 LEU A 80 2.326 8.964 4.339 1.00 0.26 H new ATOM 0 HB3 LEU A 80 0.580 8.891 4.215 1.00 0.26 H new ATOM 0 HG LEU A 80 1.979 7.727 6.641 1.00 0.27 H new ATOM 0 HD11 LEU A 80 1.689 9.933 7.779 1.00 0.34 H new ATOM 0 HD12 LEU A 80 2.804 10.062 6.397 1.00 0.34 H new ATOM 0 HD13 LEU A 80 1.128 10.640 6.246 1.00 0.34 H new ATOM 0 HD21 LEU A 80 -0.175 8.309 7.748 1.00 0.42 H new ATOM 0 HD22 LEU A 80 -0.765 9.007 6.221 1.00 0.42 H new ATOM 0 HD23 LEU A 80 -0.437 7.261 6.333 1.00 0.42 H new ATOM 1314 N TYR A 81 2.419 7.162 1.969 1.00 0.22 N ATOM 1315 CA TYR A 81 2.329 7.098 0.480 1.00 0.23 C ATOM 1316 C TYR A 81 2.224 5.636 0.025 1.00 0.22 C ATOM 1317 O TYR A 81 1.408 5.292 -0.807 1.00 0.22 O ATOM 1318 CB TYR A 81 3.585 7.731 -0.127 1.00 0.26 C ATOM 1319 CG TYR A 81 3.407 7.878 -1.621 1.00 0.30 C ATOM 1320 CD1 TYR A 81 2.589 8.894 -2.130 1.00 1.26 C ATOM 1321 CD2 TYR A 81 4.060 7.001 -2.496 1.00 1.05 C ATOM 1322 CE1 TYR A 81 2.422 9.031 -3.513 1.00 1.31 C ATOM 1323 CE2 TYR A 81 3.894 7.139 -3.879 1.00 1.04 C ATOM 1324 CZ TYR A 81 3.075 8.154 -4.388 1.00 0.46 C ATOM 1325 OH TYR A 81 2.911 8.290 -5.751 1.00 0.55 O ATOM 0 H TYR A 81 3.327 7.446 2.336 1.00 0.22 H new ATOM 0 HA TYR A 81 1.443 7.640 0.148 1.00 0.23 H new ATOM 0 HB2 TYR A 81 3.768 8.706 0.325 1.00 0.26 H new ATOM 0 HB3 TYR A 81 4.456 7.112 0.086 1.00 0.26 H new ATOM 0 HD1 TYR A 81 2.087 9.572 -1.456 1.00 1.26 H new ATOM 0 HD2 TYR A 81 4.692 6.218 -2.104 1.00 1.05 H new ATOM 0 HE1 TYR A 81 1.789 9.813 -3.905 1.00 1.31 H new ATOM 0 HE2 TYR A 81 4.398 6.462 -4.553 1.00 1.04 H new ATOM 0 HH TYR A 81 2.142 8.870 -5.932 1.00 0.55 H new ATOM 1335 N TYR A 82 3.053 4.779 0.557 1.00 0.23 N ATOM 1336 CA TYR A 82 3.015 3.339 0.151 1.00 0.23 C ATOM 1337 C TYR A 82 1.694 2.693 0.599 1.00 0.22 C ATOM 1338 O TYR A 82 1.190 1.796 -0.047 1.00 0.24 O ATOM 1339 CB TYR A 82 4.190 2.589 0.805 1.00 0.25 C ATOM 1340 CG TYR A 82 5.469 2.786 0.009 1.00 0.25 C ATOM 1341 CD1 TYR A 82 5.917 4.077 -0.304 1.00 1.30 C ATOM 1342 CD2 TYR A 82 6.218 1.671 -0.400 1.00 1.13 C ATOM 1343 CE1 TYR A 82 7.107 4.252 -1.021 1.00 1.33 C ATOM 1344 CE2 TYR A 82 7.406 1.849 -1.119 1.00 1.12 C ATOM 1345 CZ TYR A 82 7.851 3.139 -1.428 1.00 0.31 C ATOM 1346 OH TYR A 82 9.025 3.312 -2.132 1.00 0.36 O ATOM 0 H TYR A 82 3.757 5.012 1.257 1.00 0.23 H new ATOM 0 HA TYR A 82 3.093 3.279 -0.935 1.00 0.23 H new ATOM 0 HB2 TYR A 82 4.333 2.947 1.825 1.00 0.25 H new ATOM 0 HB3 TYR A 82 3.957 1.526 0.870 1.00 0.25 H new ATOM 0 HD1 TYR A 82 5.344 4.937 0.008 1.00 1.30 H new ATOM 0 HD2 TYR A 82 5.877 0.675 -0.160 1.00 1.13 H new ATOM 0 HE1 TYR A 82 7.451 5.247 -1.260 1.00 1.33 H new ATOM 0 HE2 TYR A 82 7.979 0.990 -1.435 1.00 1.12 H new ATOM 0 HH TYR A 82 9.416 2.437 -2.336 1.00 0.36 H new ATOM 1356 N LEU A 83 1.124 3.129 1.691 1.00 0.21 N ATOM 1357 CA LEU A 83 -0.156 2.515 2.138 1.00 0.20 C ATOM 1358 C LEU A 83 -1.245 2.889 1.139 1.00 0.20 C ATOM 1359 O LEU A 83 -2.077 2.081 0.785 1.00 0.25 O ATOM 1360 CB LEU A 83 -0.526 3.031 3.537 1.00 0.20 C ATOM 1361 CG LEU A 83 0.338 2.328 4.608 1.00 0.22 C ATOM 1362 CD1 LEU A 83 0.435 3.211 5.857 1.00 0.24 C ATOM 1363 CD2 LEU A 83 -0.294 0.985 5.003 1.00 0.25 C ATOM 0 H LEU A 83 1.486 3.875 2.285 1.00 0.21 H new ATOM 0 HA LEU A 83 -0.052 1.431 2.187 1.00 0.20 H new ATOM 0 HB2 LEU A 83 -0.375 4.109 3.587 1.00 0.20 H new ATOM 0 HB3 LEU A 83 -1.582 2.848 3.733 1.00 0.20 H new ATOM 0 HG LEU A 83 1.331 2.156 4.193 1.00 0.22 H new ATOM 0 HD11 LEU A 83 1.045 2.711 6.609 1.00 0.24 H new ATOM 0 HD12 LEU A 83 0.893 4.165 5.594 1.00 0.24 H new ATOM 0 HD13 LEU A 83 -0.564 3.386 6.257 1.00 0.24 H new ATOM 0 HD21 LEU A 83 0.325 0.500 5.758 1.00 0.25 H new ATOM 0 HD22 LEU A 83 -1.292 1.157 5.407 1.00 0.25 H new ATOM 0 HD23 LEU A 83 -0.364 0.343 4.125 1.00 0.25 H new ATOM 1375 N THR A 84 -1.240 4.101 0.655 1.00 0.19 N ATOM 1376 CA THR A 84 -2.269 4.509 -0.339 1.00 0.19 C ATOM 1377 C THR A 84 -2.207 3.567 -1.541 1.00 0.22 C ATOM 1378 O THR A 84 -3.218 3.146 -2.068 1.00 0.24 O ATOM 1379 CB THR A 84 -1.970 5.944 -0.795 1.00 0.20 C ATOM 1380 OG1 THR A 84 -1.964 6.802 0.337 1.00 0.22 O ATOM 1381 CG2 THR A 84 -3.033 6.423 -1.790 1.00 0.18 C ATOM 0 H THR A 84 -0.567 4.825 0.906 1.00 0.19 H new ATOM 0 HA THR A 84 -3.263 4.462 0.106 1.00 0.19 H new ATOM 0 HB THR A 84 -0.996 5.964 -1.285 1.00 0.20 H new ATOM 0 HG1 THR A 84 -1.109 6.716 0.808 1.00 0.22 H new ATOM 0 HG21 THR A 84 -2.806 7.442 -2.103 1.00 0.18 H new ATOM 0 HG22 THR A 84 -3.037 5.768 -2.661 1.00 0.18 H new ATOM 0 HG23 THR A 84 -4.013 6.400 -1.314 1.00 0.18 H new ATOM 1389 N ILE A 85 -1.024 3.242 -1.981 1.00 0.23 N ATOM 1390 CA ILE A 85 -0.884 2.335 -3.152 1.00 0.27 C ATOM 1391 C ILE A 85 -1.317 0.922 -2.777 1.00 0.29 C ATOM 1392 O ILE A 85 -2.105 0.301 -3.461 1.00 0.31 O ATOM 1393 CB ILE A 85 0.577 2.302 -3.596 1.00 0.29 C ATOM 1394 CG1 ILE A 85 0.984 3.697 -4.083 1.00 0.31 C ATOM 1395 CG2 ILE A 85 0.752 1.266 -4.719 1.00 0.32 C ATOM 1396 CD1 ILE A 85 2.490 3.729 -4.355 1.00 0.61 C ATOM 0 H ILE A 85 -0.145 3.567 -1.578 1.00 0.23 H new ATOM 0 HA ILE A 85 -1.514 2.704 -3.961 1.00 0.27 H new ATOM 0 HB ILE A 85 1.215 2.017 -2.759 1.00 0.29 H new ATOM 0 HG12 ILE A 85 0.435 3.951 -4.990 1.00 0.31 H new ATOM 0 HG13 ILE A 85 0.724 4.445 -3.334 1.00 0.31 H new ATOM 0 HG21 ILE A 85 1.795 1.244 -5.034 1.00 0.32 H new ATOM 0 HG22 ILE A 85 0.463 0.281 -4.353 1.00 0.32 H new ATOM 0 HG23 ILE A 85 0.122 1.538 -5.566 1.00 0.32 H new ATOM 0 HD11 ILE A 85 2.776 4.722 -4.701 1.00 0.61 H new ATOM 0 HD12 ILE A 85 3.030 3.495 -3.438 1.00 0.61 H new ATOM 0 HD13 ILE A 85 2.737 2.993 -5.120 1.00 0.61 H new ATOM 1408 N GLY A 86 -0.815 0.413 -1.694 1.00 0.30 N ATOM 1409 CA GLY A 86 -1.209 -0.955 -1.284 1.00 0.33 C ATOM 1410 C GLY A 86 -2.688 -0.940 -0.915 1.00 0.33 C ATOM 1411 O GLY A 86 -3.437 -1.836 -1.247 1.00 0.39 O ATOM 0 H GLY A 86 -0.152 0.882 -1.077 1.00 0.30 H new ATOM 0 HA2 GLY A 86 -1.028 -1.661 -2.095 1.00 0.33 H new ATOM 0 HA3 GLY A 86 -0.610 -1.284 -0.435 1.00 0.33 H new ATOM 1415 N CYS A 87 -3.114 0.083 -0.231 1.00 0.29 N ATOM 1416 CA CYS A 87 -4.540 0.171 0.171 1.00 0.30 C ATOM 1417 C CYS A 87 -5.424 0.387 -1.061 1.00 0.35 C ATOM 1418 O CYS A 87 -6.548 -0.069 -1.108 1.00 0.42 O ATOM 1419 CB CYS A 87 -4.718 1.334 1.149 1.00 0.29 C ATOM 1420 SG CYS A 87 -3.718 1.030 2.629 1.00 1.29 S ATOM 0 H CYS A 87 -2.531 0.865 0.068 1.00 0.29 H new ATOM 0 HA CYS A 87 -4.836 -0.761 0.653 1.00 0.30 H new ATOM 0 HB2 CYS A 87 -4.416 2.270 0.678 1.00 0.29 H new ATOM 0 HB3 CYS A 87 -5.768 1.438 1.421 1.00 0.29 H new ATOM 0 HG CYS A 87 -2.457 1.130 2.329 1.00 1.29 H new ATOM 1426 N TYR A 88 -4.946 1.095 -2.054 1.00 0.33 N ATOM 1427 CA TYR A 88 -5.790 1.348 -3.258 1.00 0.40 C ATOM 1428 C TYR A 88 -6.080 0.045 -4.021 1.00 0.43 C ATOM 1429 O TYR A 88 -7.208 -0.231 -4.374 1.00 0.52 O ATOM 1430 CB TYR A 88 -5.061 2.332 -4.188 1.00 0.46 C ATOM 1431 CG TYR A 88 -5.745 2.368 -5.543 1.00 0.48 C ATOM 1432 CD1 TYR A 88 -7.053 2.859 -5.651 1.00 1.37 C ATOM 1433 CD2 TYR A 88 -5.078 1.901 -6.684 1.00 1.24 C ATOM 1434 CE1 TYR A 88 -7.691 2.883 -6.897 1.00 1.37 C ATOM 1435 CE2 TYR A 88 -5.717 1.927 -7.929 1.00 1.28 C ATOM 1436 CZ TYR A 88 -7.024 2.418 -8.036 1.00 0.59 C ATOM 1437 OH TYR A 88 -7.654 2.442 -9.264 1.00 0.66 O ATOM 0 H TYR A 88 -4.013 1.506 -2.082 1.00 0.33 H new ATOM 0 HA TYR A 88 -6.740 1.769 -2.930 1.00 0.40 H new ATOM 0 HB2 TYR A 88 -5.058 3.328 -3.746 1.00 0.46 H new ATOM 0 HB3 TYR A 88 -4.020 2.032 -4.305 1.00 0.46 H new ATOM 0 HD1 TYR A 88 -7.569 3.219 -4.773 1.00 1.37 H new ATOM 0 HD2 TYR A 88 -4.070 1.521 -6.602 1.00 1.24 H new ATOM 0 HE1 TYR A 88 -8.699 3.261 -6.979 1.00 1.37 H new ATOM 0 HE2 TYR A 88 -5.202 1.568 -8.808 1.00 1.28 H new ATOM 0 HH TYR A 88 -7.050 2.085 -9.948 1.00 0.66 H new ATOM 1447 N LYS A 89 -5.079 -0.737 -4.312 1.00 0.43 N ATOM 1448 CA LYS A 89 -5.326 -1.986 -5.091 1.00 0.51 C ATOM 1449 C LYS A 89 -5.906 -3.084 -4.198 1.00 0.36 C ATOM 1450 O LYS A 89 -6.488 -4.037 -4.678 1.00 0.37 O ATOM 1451 CB LYS A 89 -4.002 -2.478 -5.695 1.00 0.70 C ATOM 1452 CG LYS A 89 -3.444 -1.424 -6.670 1.00 1.00 C ATOM 1453 CD LYS A 89 -2.547 -2.096 -7.718 1.00 1.24 C ATOM 1454 CE LYS A 89 -1.411 -2.845 -7.020 1.00 1.56 C ATOM 1455 NZ LYS A 89 -0.794 -1.964 -5.990 1.00 2.05 N ATOM 0 H LYS A 89 -4.108 -0.570 -4.048 1.00 0.43 H new ATOM 0 HA LYS A 89 -6.044 -1.763 -5.880 1.00 0.51 H new ATOM 0 HB2 LYS A 89 -3.280 -2.670 -4.901 1.00 0.70 H new ATOM 0 HB3 LYS A 89 -4.159 -3.422 -6.218 1.00 0.70 H new ATOM 0 HG2 LYS A 89 -4.265 -0.903 -7.163 1.00 1.00 H new ATOM 0 HG3 LYS A 89 -2.875 -0.674 -6.120 1.00 1.00 H new ATOM 0 HD2 LYS A 89 -3.133 -2.787 -8.323 1.00 1.24 H new ATOM 0 HD3 LYS A 89 -2.139 -1.346 -8.396 1.00 1.24 H new ATOM 0 HE2 LYS A 89 -1.792 -3.754 -6.555 1.00 1.56 H new ATOM 0 HE3 LYS A 89 -0.661 -3.151 -7.749 1.00 1.56 H new ATOM 0 HZ1 LYS A 89 0.237 -2.101 -5.988 1.00 2.05 H new ATOM 0 HZ2 LYS A 89 -1.010 -0.970 -6.208 1.00 2.05 H new ATOM 0 HZ3 LYS A 89 -1.177 -2.204 -5.053 1.00 2.05 H new ATOM 1469 N LEU A 90 -5.712 -2.992 -2.912 1.00 0.32 N ATOM 1470 CA LEU A 90 -6.202 -4.067 -2.008 1.00 0.47 C ATOM 1471 C LEU A 90 -7.711 -3.990 -1.717 1.00 0.56 C ATOM 1472 O LEU A 90 -8.291 -5.010 -1.402 1.00 0.89 O ATOM 1473 CB LEU A 90 -5.452 -3.968 -0.666 1.00 0.55 C ATOM 1474 CG LEU A 90 -4.048 -4.585 -0.776 1.00 0.57 C ATOM 1475 CD1 LEU A 90 -3.270 -4.273 0.507 1.00 0.71 C ATOM 1476 CD2 LEU A 90 -4.139 -6.113 -0.966 1.00 0.56 C ATOM 0 H LEU A 90 -5.235 -2.218 -2.449 1.00 0.32 H new ATOM 0 HA LEU A 90 -6.016 -5.012 -2.519 1.00 0.47 H new ATOM 0 HB2 LEU A 90 -5.372 -2.923 -0.366 1.00 0.55 H new ATOM 0 HB3 LEU A 90 -6.019 -4.481 0.111 1.00 0.55 H new ATOM 0 HG LEU A 90 -3.537 -4.161 -1.640 1.00 0.57 H new ATOM 0 HD11 LEU A 90 -2.272 -4.706 0.441 1.00 0.71 H new ATOM 0 HD12 LEU A 90 -3.190 -3.193 0.631 1.00 0.71 H new ATOM 0 HD13 LEU A 90 -3.794 -4.698 1.363 1.00 0.71 H new ATOM 0 HD21 LEU A 90 -3.135 -6.531 -1.042 1.00 0.56 H new ATOM 0 HD22 LEU A 90 -4.653 -6.556 -0.113 1.00 0.56 H new ATOM 0 HD23 LEU A 90 -4.694 -6.334 -1.878 1.00 0.56 H new ATOM 1488 N GLY A 91 -8.367 -2.832 -1.749 1.00 0.56 N ATOM 1489 CA GLY A 91 -9.838 -2.829 -1.371 1.00 0.91 C ATOM 1490 C GLY A 91 -10.108 -1.789 -0.282 1.00 0.69 C ATOM 1491 O GLY A 91 -11.221 -1.328 -0.122 1.00 0.69 O ATOM 0 H GLY A 91 -7.969 -1.929 -2.008 1.00 0.56 H new ATOM 0 HA2 GLY A 91 -10.445 -2.611 -2.250 1.00 0.91 H new ATOM 0 HA3 GLY A 91 -10.131 -3.818 -1.019 1.00 0.91 H new ATOM 1495 N GLU A 92 -9.107 -1.398 0.455 1.00 0.54 N ATOM 1496 CA GLU A 92 -9.317 -0.369 1.515 1.00 0.42 C ATOM 1497 C GLU A 92 -9.052 1.020 0.911 1.00 0.34 C ATOM 1498 O GLU A 92 -8.051 1.642 1.192 1.00 0.39 O ATOM 1499 CB GLU A 92 -8.343 -0.636 2.671 1.00 0.44 C ATOM 1500 CG GLU A 92 -8.237 -2.144 2.919 1.00 0.55 C ATOM 1501 CD GLU A 92 -7.495 -2.391 4.234 1.00 1.42 C ATOM 1502 OE1 GLU A 92 -8.143 -2.388 5.269 1.00 2.06 O ATOM 1503 OE2 GLU A 92 -6.290 -2.580 4.186 1.00 2.18 O ATOM 0 H GLU A 92 -8.152 -1.745 0.371 1.00 0.54 H new ATOM 0 HA GLU A 92 -10.339 -0.412 1.892 1.00 0.42 H new ATOM 0 HB2 GLU A 92 -7.361 -0.227 2.434 1.00 0.44 H new ATOM 0 HB3 GLU A 92 -8.688 -0.133 3.574 1.00 0.44 H new ATOM 0 HG2 GLU A 92 -9.232 -2.588 2.961 1.00 0.55 H new ATOM 0 HG3 GLU A 92 -7.709 -2.623 2.095 1.00 0.55 H new ATOM 1510 N TYR A 93 -9.936 1.510 0.072 1.00 0.33 N ATOM 1511 CA TYR A 93 -9.691 2.856 -0.539 1.00 0.31 C ATOM 1512 C TYR A 93 -10.063 3.947 0.471 1.00 0.25 C ATOM 1513 O TYR A 93 -9.583 5.061 0.397 1.00 0.27 O ATOM 1514 CB TYR A 93 -10.502 3.054 -1.841 1.00 0.41 C ATOM 1515 CG TYR A 93 -10.853 1.728 -2.473 1.00 0.53 C ATOM 1516 CD1 TYR A 93 -9.991 1.147 -3.411 1.00 1.28 C ATOM 1517 CD2 TYR A 93 -12.057 1.095 -2.143 1.00 1.42 C ATOM 1518 CE1 TYR A 93 -10.332 -0.071 -4.014 1.00 1.35 C ATOM 1519 CE2 TYR A 93 -12.399 -0.119 -2.748 1.00 1.57 C ATOM 1520 CZ TYR A 93 -11.536 -0.703 -3.683 1.00 0.95 C ATOM 1521 OH TYR A 93 -11.876 -1.899 -4.283 1.00 1.19 O ATOM 0 H TYR A 93 -10.799 1.047 -0.211 1.00 0.33 H new ATOM 0 HA TYR A 93 -8.633 2.922 -0.795 1.00 0.31 H new ATOM 0 HB2 TYR A 93 -11.415 3.609 -1.623 1.00 0.41 H new ATOM 0 HB3 TYR A 93 -9.925 3.654 -2.545 1.00 0.41 H new ATOM 0 HD1 TYR A 93 -9.064 1.637 -3.670 1.00 1.28 H new ATOM 0 HD2 TYR A 93 -12.722 1.544 -1.421 1.00 1.42 H new ATOM 0 HE1 TYR A 93 -9.666 -0.522 -4.734 1.00 1.35 H new ATOM 0 HE2 TYR A 93 -13.329 -0.606 -2.494 1.00 1.57 H new ATOM 0 HH TYR A 93 -12.742 -2.202 -3.940 1.00 1.19 H new ATOM 1531 N SER A 94 -10.909 3.640 1.414 1.00 0.24 N ATOM 1532 CA SER A 94 -11.301 4.669 2.416 1.00 0.28 C ATOM 1533 C SER A 94 -10.057 5.168 3.147 1.00 0.29 C ATOM 1534 O SER A 94 -9.823 6.355 3.256 1.00 0.39 O ATOM 1535 CB SER A 94 -12.276 4.063 3.425 1.00 0.30 C ATOM 1536 OG SER A 94 -13.313 3.385 2.730 1.00 1.12 O ATOM 0 H SER A 94 -11.344 2.725 1.534 1.00 0.24 H new ATOM 0 HA SER A 94 -11.783 5.503 1.905 1.00 0.28 H new ATOM 0 HB2 SER A 94 -11.752 3.371 4.084 1.00 0.30 H new ATOM 0 HB3 SER A 94 -12.697 4.846 4.056 1.00 0.30 H new ATOM 0 HG SER A 94 -13.938 2.994 3.376 1.00 1.12 H new ATOM 1542 N MET A 95 -9.258 4.270 3.650 1.00 0.27 N ATOM 1543 CA MET A 95 -8.031 4.692 4.375 1.00 0.36 C ATOM 1544 C MET A 95 -6.986 5.170 3.376 1.00 0.26 C ATOM 1545 O MET A 95 -6.170 6.014 3.678 1.00 0.26 O ATOM 1546 CB MET A 95 -7.476 3.513 5.168 1.00 0.48 C ATOM 1547 CG MET A 95 -7.181 2.345 4.221 1.00 0.81 C ATOM 1548 SD MET A 95 -6.473 0.958 5.151 1.00 1.25 S ATOM 1549 CE MET A 95 -7.840 0.714 6.310 1.00 0.83 C ATOM 0 H MET A 95 -9.403 3.262 3.590 1.00 0.27 H new ATOM 0 HA MET A 95 -8.277 5.505 5.058 1.00 0.36 H new ATOM 0 HB2 MET A 95 -6.566 3.810 5.689 1.00 0.48 H new ATOM 0 HB3 MET A 95 -8.193 3.204 5.929 1.00 0.48 H new ATOM 0 HG2 MET A 95 -8.098 2.030 3.723 1.00 0.81 H new ATOM 0 HG3 MET A 95 -6.488 2.663 3.442 1.00 0.81 H new ATOM 0 HE1 MET A 95 -7.793 -0.295 6.720 1.00 0.83 H new ATOM 0 HE2 MET A 95 -7.764 1.439 7.120 1.00 0.83 H new ATOM 0 HE3 MET A 95 -8.788 0.850 5.789 1.00 0.83 H new ATOM 1559 N ALA A 96 -7.002 4.654 2.179 1.00 0.23 N ATOM 1560 CA ALA A 96 -6.003 5.121 1.191 1.00 0.20 C ATOM 1561 C ALA A 96 -6.165 6.632 1.049 1.00 0.18 C ATOM 1562 O ALA A 96 -5.205 7.376 1.069 1.00 0.19 O ATOM 1563 CB ALA A 96 -6.237 4.435 -0.160 1.00 0.23 C ATOM 0 H ALA A 96 -7.653 3.941 1.850 1.00 0.23 H new ATOM 0 HA ALA A 96 -4.994 4.876 1.523 1.00 0.20 H new ATOM 0 HB1 ALA A 96 -5.497 4.786 -0.879 1.00 0.23 H new ATOM 0 HB2 ALA A 96 -6.144 3.356 -0.041 1.00 0.23 H new ATOM 0 HB3 ALA A 96 -7.237 4.675 -0.522 1.00 0.23 H new ATOM 1569 N LYS A 97 -7.383 7.088 0.909 1.00 0.19 N ATOM 1570 CA LYS A 97 -7.625 8.548 0.770 1.00 0.21 C ATOM 1571 C LYS A 97 -7.184 9.286 2.037 1.00 0.21 C ATOM 1572 O LYS A 97 -6.696 10.395 1.973 1.00 0.22 O ATOM 1573 CB LYS A 97 -9.115 8.806 0.544 1.00 0.29 C ATOM 1574 CG LYS A 97 -9.311 10.263 0.117 1.00 0.44 C ATOM 1575 CD LYS A 97 -10.805 10.573 0.009 1.00 0.78 C ATOM 1576 CE LYS A 97 -10.995 12.060 -0.302 1.00 1.07 C ATOM 1577 NZ LYS A 97 -10.480 12.878 0.834 1.00 2.10 N ATOM 0 H LYS A 97 -8.221 6.507 0.885 1.00 0.19 H new ATOM 0 HA LYS A 97 -7.049 8.913 -0.080 1.00 0.21 H new ATOM 0 HB2 LYS A 97 -9.501 8.134 -0.223 1.00 0.29 H new ATOM 0 HB3 LYS A 97 -9.675 8.603 1.457 1.00 0.29 H new ATOM 0 HG2 LYS A 97 -8.843 10.930 0.841 1.00 0.44 H new ATOM 0 HG3 LYS A 97 -8.823 10.440 -0.841 1.00 0.44 H new ATOM 0 HD2 LYS A 97 -11.258 9.966 -0.775 1.00 0.78 H new ATOM 0 HD3 LYS A 97 -11.309 10.318 0.941 1.00 0.78 H new ATOM 0 HE2 LYS A 97 -10.467 12.320 -1.220 1.00 1.07 H new ATOM 0 HE3 LYS A 97 -12.050 12.275 -0.469 1.00 1.07 H new ATOM 0 HZ1 LYS A 97 -10.948 13.807 0.834 1.00 2.10 H new ATOM 0 HZ2 LYS A 97 -10.679 12.390 1.731 1.00 2.10 H new ATOM 0 HZ3 LYS A 97 -9.453 13.008 0.731 1.00 2.10 H new ATOM 1591 N ARG A 98 -7.370 8.716 3.202 1.00 0.22 N ATOM 1592 CA ARG A 98 -6.968 9.444 4.445 1.00 0.25 C ATOM 1593 C ARG A 98 -5.437 9.605 4.509 1.00 0.20 C ATOM 1594 O ARG A 98 -4.936 10.616 4.960 1.00 0.21 O ATOM 1595 CB ARG A 98 -7.504 8.675 5.691 1.00 0.33 C ATOM 1596 CG ARG A 98 -6.398 7.836 6.371 1.00 1.18 C ATOM 1597 CD ARG A 98 -6.996 6.909 7.452 1.00 1.28 C ATOM 1598 NE ARG A 98 -6.086 6.899 8.634 1.00 1.90 N ATOM 1599 CZ ARG A 98 -6.503 6.441 9.786 1.00 2.29 C ATOM 1600 NH1 ARG A 98 -7.714 5.971 9.909 1.00 2.29 N ATOM 1601 NH2 ARG A 98 -5.703 6.454 10.818 1.00 3.20 N ATOM 0 H ARG A 98 -7.777 7.792 3.346 1.00 0.22 H new ATOM 0 HA ARG A 98 -7.403 10.443 4.434 1.00 0.25 H new ATOM 0 HB2 ARG A 98 -7.913 9.387 6.409 1.00 0.33 H new ATOM 0 HB3 ARG A 98 -8.322 8.021 5.390 1.00 0.33 H new ATOM 0 HG2 ARG A 98 -5.876 7.239 5.623 1.00 1.18 H new ATOM 0 HG3 ARG A 98 -5.659 8.498 6.822 1.00 1.18 H new ATOM 0 HD2 ARG A 98 -7.987 7.258 7.742 1.00 1.28 H new ATOM 0 HD3 ARG A 98 -7.116 5.899 7.059 1.00 1.28 H new ATOM 0 HE ARG A 98 -5.133 7.251 8.543 1.00 1.90 H new ATOM 0 HH11 ARG A 98 -8.341 5.959 9.104 1.00 2.29 H new ATOM 0 HH12 ARG A 98 -8.034 5.615 10.810 1.00 2.29 H new ATOM 0 HH21 ARG A 98 -4.756 6.821 10.724 1.00 3.20 H new ATOM 0 HH22 ARG A 98 -6.025 6.098 11.718 1.00 3.20 H new ATOM 1615 N TYR A 99 -4.690 8.617 4.089 1.00 0.21 N ATOM 1616 CA TYR A 99 -3.205 8.738 4.167 1.00 0.22 C ATOM 1617 C TYR A 99 -2.700 9.752 3.129 1.00 0.19 C ATOM 1618 O TYR A 99 -1.956 10.655 3.456 1.00 0.21 O ATOM 1619 CB TYR A 99 -2.548 7.367 3.918 1.00 0.27 C ATOM 1620 CG TYR A 99 -3.064 6.316 4.899 1.00 0.29 C ATOM 1621 CD1 TYR A 99 -3.085 6.566 6.285 1.00 1.32 C ATOM 1622 CD2 TYR A 99 -3.508 5.072 4.416 1.00 1.17 C ATOM 1623 CE1 TYR A 99 -3.547 5.582 7.170 1.00 1.34 C ATOM 1624 CE2 TYR A 99 -3.969 4.091 5.307 1.00 1.18 C ATOM 1625 CZ TYR A 99 -3.987 4.348 6.682 1.00 0.40 C ATOM 1626 OH TYR A 99 -4.439 3.384 7.560 1.00 0.47 O ATOM 0 H TYR A 99 -5.039 7.741 3.700 1.00 0.21 H new ATOM 0 HA TYR A 99 -2.936 9.087 5.164 1.00 0.22 H new ATOM 0 HB2 TYR A 99 -2.751 7.045 2.897 1.00 0.27 H new ATOM 0 HB3 TYR A 99 -1.466 7.457 4.015 1.00 0.27 H new ATOM 0 HD1 TYR A 99 -2.745 7.517 6.666 1.00 1.32 H new ATOM 0 HD2 TYR A 99 -3.494 4.871 3.355 1.00 1.17 H new ATOM 0 HE1 TYR A 99 -3.563 5.778 8.232 1.00 1.34 H new ATOM 0 HE2 TYR A 99 -4.310 3.138 4.931 1.00 1.18 H new ATOM 0 HH TYR A 99 -4.709 2.586 7.059 1.00 0.47 H new ATOM 1636 N VAL A 100 -3.085 9.618 1.887 1.00 0.18 N ATOM 1637 CA VAL A 100 -2.601 10.591 0.859 1.00 0.19 C ATOM 1638 C VAL A 100 -3.068 12.002 1.232 1.00 0.21 C ATOM 1639 O VAL A 100 -2.365 12.972 1.026 1.00 0.22 O ATOM 1640 CB VAL A 100 -3.142 10.215 -0.525 1.00 0.19 C ATOM 1641 CG1 VAL A 100 -4.652 10.448 -0.575 1.00 0.22 C ATOM 1642 CG2 VAL A 100 -2.454 11.077 -1.590 1.00 0.20 C ATOM 0 H VAL A 100 -3.706 8.887 1.541 1.00 0.18 H new ATOM 0 HA VAL A 100 -1.512 10.563 0.828 1.00 0.19 H new ATOM 0 HB VAL A 100 -2.938 9.162 -0.718 1.00 0.19 H new ATOM 0 HG11 VAL A 100 -5.029 10.179 -1.562 1.00 0.22 H new ATOM 0 HG12 VAL A 100 -5.140 9.833 0.181 1.00 0.22 H new ATOM 0 HG13 VAL A 100 -4.865 11.499 -0.380 1.00 0.22 H new ATOM 0 HG21 VAL A 100 -2.837 10.812 -2.576 1.00 0.20 H new ATOM 0 HG22 VAL A 100 -2.657 12.130 -1.393 1.00 0.20 H new ATOM 0 HG23 VAL A 100 -1.378 10.903 -1.560 1.00 0.20 H new ATOM 1652 N ASP A 101 -4.247 12.126 1.784 1.00 0.23 N ATOM 1653 CA ASP A 101 -4.751 13.477 2.172 1.00 0.27 C ATOM 1654 C ASP A 101 -3.784 14.110 3.173 1.00 0.26 C ATOM 1655 O ASP A 101 -3.387 15.250 3.033 1.00 0.29 O ATOM 1656 CB ASP A 101 -6.132 13.343 2.820 1.00 0.30 C ATOM 1657 CG ASP A 101 -6.648 14.730 3.213 1.00 0.97 C ATOM 1658 OD1 ASP A 101 -6.302 15.683 2.534 1.00 1.79 O ATOM 1659 OD2 ASP A 101 -7.378 14.815 4.186 1.00 1.60 O ATOM 0 H ASP A 101 -4.881 11.352 1.983 1.00 0.23 H new ATOM 0 HA ASP A 101 -4.825 14.105 1.284 1.00 0.27 H new ATOM 0 HB2 ASP A 101 -6.826 12.868 2.127 1.00 0.30 H new ATOM 0 HB3 ASP A 101 -6.072 12.703 3.700 1.00 0.30 H new ATOM 1664 N THR A 102 -3.403 13.378 4.183 1.00 0.25 N ATOM 1665 CA THR A 102 -2.463 13.931 5.199 1.00 0.26 C ATOM 1666 C THR A 102 -1.124 14.266 4.538 1.00 0.26 C ATOM 1667 O THR A 102 -0.541 15.302 4.786 1.00 0.27 O ATOM 1668 CB THR A 102 -2.237 12.887 6.296 1.00 0.27 C ATOM 1669 OG1 THR A 102 -3.459 12.644 6.978 1.00 0.32 O ATOM 1670 CG2 THR A 102 -1.189 13.397 7.286 1.00 0.29 C ATOM 0 H THR A 102 -3.703 12.417 4.349 1.00 0.25 H new ATOM 0 HA THR A 102 -2.889 14.837 5.630 1.00 0.26 H new ATOM 0 HB THR A 102 -1.883 11.960 5.845 1.00 0.27 H new ATOM 0 HG1 THR A 102 -4.004 12.015 6.460 1.00 0.32 H new ATOM 0 HG21 THR A 102 -1.031 12.651 8.065 1.00 0.29 H new ATOM 0 HG22 THR A 102 -0.251 13.578 6.762 1.00 0.29 H new ATOM 0 HG23 THR A 102 -1.537 14.326 7.738 1.00 0.29 H new ATOM 1678 N LEU A 103 -0.626 13.390 3.709 1.00 0.25 N ATOM 1679 CA LEU A 103 0.682 13.648 3.046 1.00 0.27 C ATOM 1680 C LEU A 103 0.555 14.810 2.054 1.00 0.29 C ATOM 1681 O LEU A 103 1.416 15.664 1.982 1.00 0.31 O ATOM 1682 CB LEU A 103 1.136 12.382 2.306 1.00 0.29 C ATOM 1683 CG LEU A 103 2.636 12.477 1.950 1.00 0.34 C ATOM 1684 CD1 LEU A 103 3.501 12.053 3.147 1.00 0.36 C ATOM 1685 CD2 LEU A 103 2.941 11.550 0.765 1.00 0.41 C ATOM 0 H LEU A 103 -1.070 12.505 3.462 1.00 0.25 H new ATOM 0 HA LEU A 103 1.419 13.914 3.804 1.00 0.27 H new ATOM 0 HB2 LEU A 103 0.958 11.505 2.929 1.00 0.29 H new ATOM 0 HB3 LEU A 103 0.547 12.253 1.398 1.00 0.29 H new ATOM 0 HG LEU A 103 2.866 13.510 1.689 1.00 0.34 H new ATOM 0 HD11 LEU A 103 4.555 12.126 2.878 1.00 0.36 H new ATOM 0 HD12 LEU A 103 3.296 12.708 3.994 1.00 0.36 H new ATOM 0 HD13 LEU A 103 3.266 11.024 3.419 1.00 0.36 H new ATOM 0 HD21 LEU A 103 4.000 11.617 0.514 1.00 0.41 H new ATOM 0 HD22 LEU A 103 2.696 10.523 1.034 1.00 0.41 H new ATOM 0 HD23 LEU A 103 2.344 11.851 -0.096 1.00 0.41 H new ATOM 1697 N PHE A 104 -0.499 14.854 1.280 1.00 0.29 N ATOM 1698 CA PHE A 104 -0.646 15.965 0.295 1.00 0.32 C ATOM 1699 C PHE A 104 -0.594 17.311 1.020 1.00 0.37 C ATOM 1700 O PHE A 104 -0.101 18.289 0.493 1.00 0.41 O ATOM 1701 CB PHE A 104 -1.984 15.825 -0.443 1.00 0.33 C ATOM 1702 CG PHE A 104 -2.232 17.049 -1.304 1.00 0.40 C ATOM 1703 CD1 PHE A 104 -1.424 17.292 -2.422 1.00 1.23 C ATOM 1704 CD2 PHE A 104 -3.269 17.938 -0.985 1.00 1.17 C ATOM 1705 CE1 PHE A 104 -1.652 18.421 -3.220 1.00 1.29 C ATOM 1706 CE2 PHE A 104 -3.496 19.066 -1.784 1.00 1.19 C ATOM 1707 CZ PHE A 104 -2.687 19.307 -2.901 1.00 0.60 C ATOM 0 H PHE A 104 -1.259 14.173 1.287 1.00 0.29 H new ATOM 0 HA PHE A 104 0.170 15.916 -0.426 1.00 0.32 H new ATOM 0 HB2 PHE A 104 -1.974 14.929 -1.064 1.00 0.33 H new ATOM 0 HB3 PHE A 104 -2.795 15.706 0.276 1.00 0.33 H new ATOM 0 HD1 PHE A 104 -0.625 16.609 -2.669 1.00 1.23 H new ATOM 0 HD2 PHE A 104 -3.893 17.753 -0.123 1.00 1.17 H new ATOM 0 HE1 PHE A 104 -1.028 18.607 -4.082 1.00 1.29 H new ATOM 0 HE2 PHE A 104 -4.295 19.750 -1.538 1.00 1.19 H new ATOM 0 HZ PHE A 104 -2.862 20.177 -3.517 1.00 0.60 H new ATOM 1717 N GLU A 105 -1.095 17.376 2.222 1.00 0.42 N ATOM 1718 CA GLU A 105 -1.062 18.669 2.960 1.00 0.52 C ATOM 1719 C GLU A 105 0.382 19.166 3.046 1.00 0.56 C ATOM 1720 O GLU A 105 0.647 20.338 2.869 1.00 0.61 O ATOM 1721 CB GLU A 105 -1.622 18.474 4.371 1.00 0.58 C ATOM 1722 CG GLU A 105 -3.143 18.305 4.309 1.00 1.20 C ATOM 1723 CD GLU A 105 -3.805 19.666 4.081 1.00 1.75 C ATOM 1724 OE1 GLU A 105 -4.018 20.370 5.055 1.00 2.31 O ATOM 1725 OE2 GLU A 105 -4.089 19.980 2.938 1.00 2.47 O ATOM 0 H GLU A 105 -1.523 16.597 2.722 1.00 0.42 H new ATOM 0 HA GLU A 105 -1.671 19.403 2.432 1.00 0.52 H new ATOM 0 HB2 GLU A 105 -1.168 17.598 4.834 1.00 0.58 H new ATOM 0 HB3 GLU A 105 -1.368 19.331 4.994 1.00 0.58 H new ATOM 0 HG2 GLU A 105 -3.410 17.621 3.504 1.00 1.20 H new ATOM 0 HG3 GLU A 105 -3.508 17.863 5.236 1.00 1.20 H new ATOM 1838 N GLN A 112 2.794 12.692 -9.089 1.00 0.54 N ATOM 1839 CA GLN A 112 2.291 11.337 -8.709 1.00 0.49 C ATOM 1840 C GLN A 112 1.288 11.467 -7.564 1.00 0.39 C ATOM 1841 O GLN A 112 0.324 10.733 -7.479 1.00 0.37 O ATOM 1842 CB GLN A 112 3.464 10.457 -8.265 1.00 0.54 C ATOM 1843 CG GLN A 112 4.273 10.017 -9.489 1.00 1.05 C ATOM 1844 CD GLN A 112 3.435 9.062 -10.345 1.00 1.82 C ATOM 1845 OE1 GLN A 112 3.340 9.230 -11.544 1.00 2.54 O ATOM 1846 NE2 GLN A 112 2.817 8.064 -9.775 1.00 2.56 N ATOM 0 HA GLN A 112 1.803 10.880 -9.569 1.00 0.49 H new ATOM 0 HB2 GLN A 112 4.103 11.007 -7.574 1.00 0.54 H new ATOM 0 HB3 GLN A 112 3.093 9.583 -7.729 1.00 0.54 H new ATOM 0 HG2 GLN A 112 4.564 10.888 -10.077 1.00 1.05 H new ATOM 0 HG3 GLN A 112 5.192 9.525 -9.172 1.00 1.05 H new ATOM 0 HE21 GLN A 112 2.897 7.923 -8.768 1.00 2.56 H new ATOM 0 HE22 GLN A 112 2.254 7.425 -10.337 1.00 2.56 H new ATOM 1855 N VAL A 113 1.504 12.408 -6.693 1.00 0.37 N ATOM 1856 CA VAL A 113 0.562 12.609 -5.557 1.00 0.32 C ATOM 1857 C VAL A 113 -0.764 13.090 -6.133 1.00 0.32 C ATOM 1858 O VAL A 113 -1.817 12.554 -5.852 1.00 0.30 O ATOM 1859 CB VAL A 113 1.129 13.674 -4.612 1.00 0.35 C ATOM 1860 CG1 VAL A 113 0.178 13.882 -3.432 1.00 0.41 C ATOM 1861 CG2 VAL A 113 2.495 13.221 -4.091 1.00 0.40 C ATOM 0 H VAL A 113 2.296 13.051 -6.717 1.00 0.37 H new ATOM 0 HA VAL A 113 0.422 11.681 -5.002 1.00 0.32 H new ATOM 0 HB VAL A 113 1.238 14.612 -5.156 1.00 0.35 H new ATOM 0 HG11 VAL A 113 0.587 14.640 -2.764 1.00 0.41 H new ATOM 0 HG12 VAL A 113 -0.794 14.210 -3.801 1.00 0.41 H new ATOM 0 HG13 VAL A 113 0.062 12.944 -2.888 1.00 0.41 H new ATOM 0 HG21 VAL A 113 2.898 13.979 -3.419 1.00 0.40 H new ATOM 0 HG22 VAL A 113 2.385 12.280 -3.552 1.00 0.40 H new ATOM 0 HG23 VAL A 113 3.176 13.081 -4.930 1.00 0.40 H new ATOM 1871 N GLY A 114 -0.702 14.097 -6.953 1.00 0.37 N ATOM 1872 CA GLY A 114 -1.940 14.629 -7.579 1.00 0.40 C ATOM 1873 C GLY A 114 -2.586 13.516 -8.402 1.00 0.38 C ATOM 1874 O GLY A 114 -3.791 13.362 -8.427 1.00 0.38 O ATOM 0 H GLY A 114 0.158 14.577 -7.218 1.00 0.37 H new ATOM 0 HA2 GLY A 114 -2.630 14.982 -6.813 1.00 0.40 H new ATOM 0 HA3 GLY A 114 -1.706 15.483 -8.215 1.00 0.40 H new ATOM 1878 N ALA A 115 -1.786 12.737 -9.076 1.00 0.38 N ATOM 1879 CA ALA A 115 -2.338 11.627 -9.902 1.00 0.38 C ATOM 1880 C ALA A 115 -2.716 10.444 -9.006 1.00 0.33 C ATOM 1881 O ALA A 115 -3.689 9.758 -9.260 1.00 0.34 O ATOM 1882 CB ALA A 115 -1.291 11.187 -10.921 1.00 0.43 C ATOM 0 H ALA A 115 -0.770 12.822 -9.090 1.00 0.38 H new ATOM 0 HA ALA A 115 -3.231 11.975 -10.422 1.00 0.38 H new ATOM 0 HB1 ALA A 115 -1.692 10.375 -11.527 1.00 0.43 H new ATOM 0 HB2 ALA A 115 -1.034 12.028 -11.565 1.00 0.43 H new ATOM 0 HB3 ALA A 115 -0.398 10.844 -10.400 1.00 0.43 H new ATOM 1888 N LEU A 116 -1.977 10.192 -7.964 1.00 0.31 N ATOM 1889 CA LEU A 116 -2.340 9.047 -7.087 1.00 0.29 C ATOM 1890 C LEU A 116 -3.631 9.389 -6.340 1.00 0.26 C ATOM 1891 O LEU A 116 -4.571 8.619 -6.328 1.00 0.25 O ATOM 1892 CB LEU A 116 -1.204 8.782 -6.089 1.00 0.32 C ATOM 1893 CG LEU A 116 -1.566 7.612 -5.160 1.00 0.27 C ATOM 1894 CD1 LEU A 116 -1.755 6.323 -5.976 1.00 0.49 C ATOM 1895 CD2 LEU A 116 -0.434 7.418 -4.146 1.00 0.68 C ATOM 0 H LEU A 116 -1.150 10.720 -7.684 1.00 0.31 H new ATOM 0 HA LEU A 116 -2.493 8.150 -7.687 1.00 0.29 H new ATOM 0 HB2 LEU A 116 -0.284 8.555 -6.628 1.00 0.32 H new ATOM 0 HB3 LEU A 116 -1.015 9.678 -5.498 1.00 0.32 H new ATOM 0 HG LEU A 116 -2.498 7.835 -4.642 1.00 0.27 H new ATOM 0 HD11 LEU A 116 -2.011 5.502 -5.306 1.00 0.49 H new ATOM 0 HD12 LEU A 116 -2.558 6.465 -6.699 1.00 0.49 H new ATOM 0 HD13 LEU A 116 -0.830 6.087 -6.502 1.00 0.49 H new ATOM 0 HD21 LEU A 116 -0.679 6.590 -3.481 1.00 0.68 H new ATOM 0 HD22 LEU A 116 0.494 7.197 -4.674 1.00 0.68 H new ATOM 0 HD23 LEU A 116 -0.310 8.329 -3.561 1.00 0.68 H new ATOM 1907 N LYS A 117 -3.683 10.526 -5.697 1.00 0.27 N ATOM 1908 CA LYS A 117 -4.917 10.883 -4.942 1.00 0.28 C ATOM 1909 C LYS A 117 -6.115 10.884 -5.905 1.00 0.28 C ATOM 1910 O LYS A 117 -7.236 10.602 -5.530 1.00 0.29 O ATOM 1911 CB LYS A 117 -4.742 12.273 -4.279 1.00 0.33 C ATOM 1912 CG LYS A 117 -5.132 13.409 -5.246 1.00 0.78 C ATOM 1913 CD LYS A 117 -4.723 14.761 -4.653 1.00 0.86 C ATOM 1914 CE LYS A 117 -5.325 15.893 -5.492 1.00 1.44 C ATOM 1915 NZ LYS A 117 -6.791 15.983 -5.233 1.00 2.16 N ATOM 0 H LYS A 117 -2.932 11.216 -5.662 1.00 0.27 H new ATOM 0 HA LYS A 117 -5.097 10.150 -4.156 1.00 0.28 H new ATOM 0 HB2 LYS A 117 -5.357 12.330 -3.381 1.00 0.33 H new ATOM 0 HB3 LYS A 117 -3.706 12.400 -3.964 1.00 0.33 H new ATOM 0 HG2 LYS A 117 -4.644 13.262 -6.209 1.00 0.78 H new ATOM 0 HG3 LYS A 117 -6.207 13.391 -5.427 1.00 0.78 H new ATOM 0 HD2 LYS A 117 -5.067 14.836 -3.622 1.00 0.86 H new ATOM 0 HD3 LYS A 117 -3.637 14.847 -4.633 1.00 0.86 H new ATOM 0 HE2 LYS A 117 -4.843 16.839 -5.244 1.00 1.44 H new ATOM 0 HE3 LYS A 117 -5.143 15.710 -6.551 1.00 1.44 H new ATOM 0 HZ1 LYS A 117 -7.139 16.916 -5.531 1.00 2.16 H new ATOM 0 HZ2 LYS A 117 -7.285 15.242 -5.770 1.00 2.16 H new ATOM 0 HZ3 LYS A 117 -6.973 15.854 -4.217 1.00 2.16 H new ATOM 1929 N SER A 118 -5.871 11.226 -7.143 1.00 0.29 N ATOM 1930 CA SER A 118 -6.970 11.284 -8.148 1.00 0.31 C ATOM 1931 C SER A 118 -7.454 9.880 -8.506 1.00 0.29 C ATOM 1932 O SER A 118 -8.577 9.700 -8.924 1.00 0.30 O ATOM 1933 CB SER A 118 -6.479 12.000 -9.405 1.00 0.34 C ATOM 1934 OG SER A 118 -6.187 13.353 -9.079 1.00 1.35 O ATOM 0 H SER A 118 -4.948 11.470 -7.503 1.00 0.29 H new ATOM 0 HA SER A 118 -7.806 11.835 -7.717 1.00 0.31 H new ATOM 0 HB2 SER A 118 -5.590 11.506 -9.797 1.00 0.34 H new ATOM 0 HB3 SER A 118 -7.239 11.956 -10.185 1.00 0.34 H new ATOM 0 HG SER A 118 -5.252 13.426 -8.793 1.00 1.35 H new ATOM 1940 N MET A 119 -6.643 8.871 -8.334 1.00 0.26 N ATOM 1941 CA MET A 119 -7.106 7.489 -8.652 1.00 0.25 C ATOM 1942 C MET A 119 -8.039 7.031 -7.520 1.00 0.23 C ATOM 1943 O MET A 119 -9.102 6.482 -7.738 1.00 0.24 O ATOM 1944 CB MET A 119 -5.870 6.577 -8.731 1.00 0.26 C ATOM 1945 CG MET A 119 -6.171 5.336 -9.571 1.00 0.61 C ATOM 1946 SD MET A 119 -6.134 5.769 -11.329 1.00 1.03 S ATOM 1947 CE MET A 119 -4.366 5.487 -11.593 1.00 0.69 C ATOM 0 H MET A 119 -5.686 8.942 -7.989 1.00 0.26 H new ATOM 0 HA MET A 119 -7.641 7.452 -9.601 1.00 0.25 H new ATOM 0 HB2 MET A 119 -5.035 7.124 -9.167 1.00 0.26 H new ATOM 0 HB3 MET A 119 -5.566 6.279 -7.727 1.00 0.26 H new ATOM 0 HG2 MET A 119 -5.438 4.557 -9.363 1.00 0.61 H new ATOM 0 HG3 MET A 119 -7.149 4.933 -9.306 1.00 0.61 H new ATOM 0 HE1 MET A 119 -4.115 5.698 -12.633 1.00 0.69 H new ATOM 0 HE2 MET A 119 -3.791 6.144 -10.940 1.00 0.69 H new ATOM 0 HE3 MET A 119 -4.125 4.449 -11.365 1.00 0.69 H new ATOM 1957 N VAL A 120 -7.628 7.299 -6.314 1.00 0.21 N ATOM 1958 CA VAL A 120 -8.419 6.963 -5.094 1.00 0.20 C ATOM 1959 C VAL A 120 -9.673 7.825 -5.032 1.00 0.22 C ATOM 1960 O VAL A 120 -10.762 7.332 -4.812 1.00 0.22 O ATOM 1961 CB VAL A 120 -7.554 7.294 -3.882 1.00 0.20 C ATOM 1962 CG1 VAL A 120 -8.339 7.002 -2.602 1.00 0.20 C ATOM 1963 CG2 VAL A 120 -6.291 6.432 -3.913 1.00 0.23 C ATOM 0 H VAL A 120 -6.738 7.757 -6.115 1.00 0.21 H new ATOM 0 HA VAL A 120 -8.705 5.911 -5.113 1.00 0.20 H new ATOM 0 HB VAL A 120 -7.278 8.348 -3.906 1.00 0.20 H new ATOM 0 HG11 VAL A 120 -7.722 7.238 -1.735 1.00 0.20 H new ATOM 0 HG12 VAL A 120 -9.242 7.612 -2.582 1.00 0.20 H new ATOM 0 HG13 VAL A 120 -8.613 5.947 -2.576 1.00 0.20 H new ATOM 0 HG21 VAL A 120 -5.670 6.665 -3.048 1.00 0.23 H new ATOM 0 HG22 VAL A 120 -6.569 5.378 -3.886 1.00 0.23 H new ATOM 0 HG23 VAL A 120 -5.733 6.637 -4.827 1.00 0.23 H new ATOM 1973 N GLU A 121 -9.539 9.104 -5.214 1.00 0.25 N ATOM 1974 CA GLU A 121 -10.733 9.983 -5.147 1.00 0.29 C ATOM 1975 C GLU A 121 -11.664 9.663 -6.315 1.00 0.28 C ATOM 1976 O GLU A 121 -12.870 9.756 -6.200 1.00 0.31 O ATOM 1977 CB GLU A 121 -10.284 11.445 -5.220 1.00 0.35 C ATOM 1978 CG GLU A 121 -11.502 12.372 -5.253 1.00 1.07 C ATOM 1979 CD GLU A 121 -12.375 12.132 -4.018 1.00 1.63 C ATOM 1980 OE1 GLU A 121 -12.136 12.782 -3.013 1.00 2.27 O ATOM 1981 OE2 GLU A 121 -13.267 11.303 -4.097 1.00 2.20 O ATOM 0 H GLU A 121 -8.657 9.579 -5.406 1.00 0.25 H new ATOM 0 HA GLU A 121 -11.266 9.816 -4.211 1.00 0.29 H new ATOM 0 HB2 GLU A 121 -9.659 11.684 -4.360 1.00 0.35 H new ATOM 0 HB3 GLU A 121 -9.675 11.602 -6.110 1.00 0.35 H new ATOM 0 HG2 GLU A 121 -11.177 13.412 -5.283 1.00 1.07 H new ATOM 0 HG3 GLU A 121 -12.081 12.193 -6.159 1.00 1.07 H new ATOM 1988 N ASP A 122 -11.122 9.288 -7.438 1.00 0.28 N ATOM 1989 CA ASP A 122 -11.992 8.968 -8.598 1.00 0.30 C ATOM 1990 C ASP A 122 -12.647 7.609 -8.369 1.00 0.28 C ATOM 1991 O ASP A 122 -13.790 7.383 -8.732 1.00 0.31 O ATOM 1992 CB ASP A 122 -11.155 8.925 -9.878 1.00 0.34 C ATOM 1993 CG ASP A 122 -10.728 10.345 -10.252 1.00 1.16 C ATOM 1994 OD1 ASP A 122 -10.601 11.160 -9.353 1.00 1.89 O ATOM 1995 OD2 ASP A 122 -10.533 10.595 -11.430 1.00 1.92 O ATOM 0 H ASP A 122 -10.120 9.190 -7.601 1.00 0.28 H new ATOM 0 HA ASP A 122 -12.760 9.735 -8.701 1.00 0.30 H new ATOM 0 HB2 ASP A 122 -10.277 8.296 -9.731 1.00 0.34 H new ATOM 0 HB3 ASP A 122 -11.733 8.481 -10.689 1.00 0.34 H new ATOM 2000 N LYS A 123 -11.944 6.693 -7.759 1.00 0.27 N ATOM 2001 CA LYS A 123 -12.525 5.352 -7.508 1.00 0.27 C ATOM 2002 C LYS A 123 -13.535 5.428 -6.366 1.00 0.26 C ATOM 2003 O LYS A 123 -14.560 4.773 -6.394 1.00 0.28 O ATOM 2004 CB LYS A 123 -11.392 4.393 -7.116 1.00 0.27 C ATOM 2005 CG LYS A 123 -11.885 2.935 -7.153 1.00 0.93 C ATOM 2006 CD LYS A 123 -11.707 2.354 -8.560 1.00 1.10 C ATOM 2007 CE LYS A 123 -12.322 0.957 -8.613 1.00 1.43 C ATOM 2008 NZ LYS A 123 -12.208 0.416 -9.996 1.00 1.95 N ATOM 0 H LYS A 123 -10.989 6.821 -7.424 1.00 0.27 H new ATOM 0 HA LYS A 123 -13.029 4.997 -8.407 1.00 0.27 H new ATOM 0 HB2 LYS A 123 -10.551 4.516 -7.798 1.00 0.27 H new ATOM 0 HB3 LYS A 123 -11.031 4.636 -6.117 1.00 0.27 H new ATOM 0 HG2 LYS A 123 -11.329 2.337 -6.431 1.00 0.93 H new ATOM 0 HG3 LYS A 123 -12.935 2.890 -6.863 1.00 0.93 H new ATOM 0 HD2 LYS A 123 -12.184 3.001 -9.296 1.00 1.10 H new ATOM 0 HD3 LYS A 123 -10.648 2.307 -8.815 1.00 1.10 H new ATOM 0 HE2 LYS A 123 -11.813 0.297 -7.910 1.00 1.43 H new ATOM 0 HE3 LYS A 123 -13.369 0.997 -8.312 1.00 1.43 H new ATOM 0 HZ1 LYS A 123 -12.627 -0.535 -10.032 1.00 1.95 H new ATOM 0 HZ2 LYS A 123 -12.712 1.042 -10.656 1.00 1.95 H new ATOM 0 HZ3 LYS A 123 -11.205 0.363 -10.267 1.00 1.95 H new ATOM 2022 N ILE A 124 -13.271 6.211 -5.347 1.00 0.27 N ATOM 2023 CA ILE A 124 -14.250 6.274 -4.231 1.00 0.29 C ATOM 2024 C ILE A 124 -15.521 6.951 -4.772 1.00 0.35 C ATOM 2025 O ILE A 124 -16.611 6.769 -4.273 1.00 0.43 O ATOM 2026 CB ILE A 124 -13.646 7.064 -3.046 1.00 0.29 C ATOM 2027 CG1 ILE A 124 -12.721 6.149 -2.229 1.00 0.27 C ATOM 2028 CG2 ILE A 124 -14.757 7.599 -2.135 1.00 0.34 C ATOM 2029 CD1 ILE A 124 -11.930 6.981 -1.210 1.00 0.30 C ATOM 0 H ILE A 124 -12.440 6.793 -5.245 1.00 0.27 H new ATOM 0 HA ILE A 124 -14.495 5.278 -3.862 1.00 0.29 H new ATOM 0 HB ILE A 124 -13.077 7.904 -3.445 1.00 0.29 H new ATOM 0 HG12 ILE A 124 -13.309 5.390 -1.713 1.00 0.27 H new ATOM 0 HG13 ILE A 124 -12.035 5.624 -2.894 1.00 0.27 H new ATOM 0 HG21 ILE A 124 -14.314 8.152 -1.307 1.00 0.34 H new ATOM 0 HG22 ILE A 124 -15.408 8.261 -2.706 1.00 0.34 H new ATOM 0 HG23 ILE A 124 -15.340 6.765 -1.744 1.00 0.34 H new ATOM 0 HD11 ILE A 124 -11.276 6.326 -0.634 1.00 0.30 H new ATOM 0 HD12 ILE A 124 -11.329 7.723 -1.735 1.00 0.30 H new ATOM 0 HD13 ILE A 124 -12.623 7.486 -0.536 1.00 0.30 H new ATOM 2041 N GLN A 125 -15.355 7.749 -5.790 1.00 0.35 N ATOM 2042 CA GLN A 125 -16.529 8.462 -6.375 1.00 0.40 C ATOM 2043 C GLN A 125 -17.455 7.435 -7.043 1.00 0.43 C ATOM 2044 O GLN A 125 -18.662 7.569 -7.011 1.00 0.54 O ATOM 2045 CB GLN A 125 -16.062 9.526 -7.383 1.00 0.53 C ATOM 2046 CG GLN A 125 -15.797 10.853 -6.661 1.00 1.22 C ATOM 2047 CD GLN A 125 -17.122 11.576 -6.409 1.00 1.81 C ATOM 2048 OE1 GLN A 125 -17.137 12.751 -6.099 1.00 2.27 O ATOM 2049 NE2 GLN A 125 -18.242 10.918 -6.532 1.00 2.64 N ATOM 0 H GLN A 125 -14.461 7.939 -6.242 1.00 0.35 H new ATOM 0 HA GLN A 125 -17.079 8.975 -5.586 1.00 0.40 H new ATOM 0 HB2 GLN A 125 -15.156 9.189 -7.886 1.00 0.53 H new ATOM 0 HB3 GLN A 125 -16.820 9.667 -8.153 1.00 0.53 H new ATOM 0 HG2 GLN A 125 -15.287 10.668 -5.716 1.00 1.22 H new ATOM 0 HG3 GLN A 125 -15.138 11.480 -7.262 1.00 1.22 H new ATOM 0 HE21 GLN A 125 -18.228 9.932 -6.792 1.00 2.64 H new ATOM 0 HE22 GLN A 125 -19.131 11.390 -6.368 1.00 2.64 H new