USER MOD reduce.3.24.130724 H: found=0, std=0, add=913, rem=0, adj=30 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 Set 1.1: A 95 MET CE :methyl -154:sc= -0.2 (180deg=-1.26) USER MOD Set 1.2: A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot -120:sc= 0.0231 USER MOD Single : A 11 LYS NZ :NH3+ 135:sc= -0.162 (180deg=-0.912) 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= -0.0757 K(o=-0.076,f=-2.1!) USER MOD Single : A 21 GLN : amide:sc= -2.65! K(o=-2.7!,f=-0.28) USER MOD Single : A 27 GLN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 28 GLN : amide:sc= -0.177 K(o=-0.18,f=-1.3!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.0695 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.0262 USER MOD Single : A 40 GLN : amide:sc= -0.308 X(o=-0.31,f=0) USER MOD Single : A 41 SER OG : rot -63:sc= -0.0963 USER MOD Single : A 44 ASN : amide:sc= -0.638 K(o=-0.64,f=-0.052) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -125:sc= 0.212 (180deg=-3.35!) USER MOD Single : A 52 SER OG : rot -88:sc= 1.16 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.176 X(o=-0.18,f=-0.35) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 84:sc= 1.17 USER MOD Single : A 69 TYR OH : rot 180:sc= -0.421 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 68:sc= 0.909 USER MOD Single : A 79 CYS SG : rot 78:sc= 0.00182 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 73:sc= 0.286 USER MOD Single : A 87 CYS SG : rot 85:sc= -0.272 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 162:sc= -0.16 (180deg=-0.761) USER MOD Single : A 93 TYR OH : rot 180:sc= -0.156 USER MOD Single : A 94 SER OG : rot 82:sc= 0.291 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 82:sc= 0.0133 USER MOD Single : A 112 GLN : amide:sc= -0.261 K(o=-0.26,f=-0.9) USER MOD Single : A 117 LYS NZ :NH3+ -108:sc= -1.37 (180deg=-3.72!) USER MOD Single : A 118 SER OG : rot -44:sc= 0.378! USER MOD Single : A 119 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 123 LYS NZ :NH3+ -161:sc= -0.0834 (180deg=-0.655) USER MOD Single : A 125 GLN : amide:sc= -0.276 K(o=-0.28,f=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 128 N PRO A 8 7.170 5.276 -7.276 1.00 0.67 N ATOM 129 CA PRO A 8 6.641 4.619 -8.486 1.00 0.58 C ATOM 130 C PRO A 8 5.126 4.849 -8.599 1.00 0.52 C ATOM 131 O PRO A 8 4.535 5.569 -7.819 1.00 0.58 O ATOM 132 CB PRO A 8 6.975 3.119 -8.304 1.00 0.62 C ATOM 133 CG PRO A 8 7.774 2.975 -6.976 1.00 0.71 C ATOM 134 CD PRO A 8 7.819 4.366 -6.306 1.00 0.75 C ATOM 0 HA PRO A 8 7.077 5.016 -9.403 1.00 0.58 H new ATOM 0 HB2 PRO A 8 6.062 2.525 -8.268 1.00 0.62 H new ATOM 0 HB3 PRO A 8 7.562 2.752 -9.146 1.00 0.62 H new ATOM 0 HG2 PRO A 8 7.297 2.248 -6.319 1.00 0.71 H new ATOM 0 HG3 PRO A 8 8.783 2.612 -7.173 1.00 0.71 H new ATOM 0 HD2 PRO A 8 7.291 4.363 -5.353 1.00 0.75 H new ATOM 0 HD3 PRO A 8 8.845 4.673 -6.101 1.00 0.75 H new ATOM 142 N THR A 9 4.502 4.224 -9.563 1.00 0.48 N ATOM 143 CA THR A 9 3.025 4.377 -9.743 1.00 0.46 C ATOM 144 C THR A 9 2.328 3.166 -9.122 1.00 0.43 C ATOM 145 O THR A 9 2.954 2.173 -8.810 1.00 0.44 O ATOM 146 CB THR A 9 2.700 4.444 -11.250 1.00 0.47 C ATOM 147 OG1 THR A 9 3.717 3.769 -11.976 1.00 0.72 O ATOM 148 CG2 THR A 9 2.633 5.900 -11.710 1.00 0.73 C ATOM 0 H THR A 9 4.955 3.609 -10.239 1.00 0.48 H new ATOM 0 HA THR A 9 2.680 5.291 -9.259 1.00 0.46 H new ATOM 0 HB THR A 9 1.735 3.970 -11.430 1.00 0.47 H new ATOM 0 HG1 THR A 9 4.144 4.394 -12.598 1.00 0.72 H new ATOM 0 HG21 THR A 9 2.403 5.935 -12.775 1.00 0.73 H new ATOM 0 HG22 THR A 9 1.855 6.422 -11.153 1.00 0.73 H new ATOM 0 HG23 THR A 9 3.593 6.383 -11.530 1.00 0.73 H new ATOM 156 N LEU A 10 1.038 3.233 -8.948 1.00 0.41 N ATOM 157 CA LEU A 10 0.325 2.071 -8.358 1.00 0.40 C ATOM 158 C LEU A 10 0.321 0.939 -9.378 1.00 0.39 C ATOM 159 O LEU A 10 0.336 -0.223 -9.022 1.00 0.39 O ATOM 160 CB LEU A 10 -1.118 2.457 -8.004 1.00 0.41 C ATOM 161 CG LEU A 10 -1.940 1.205 -7.648 1.00 0.37 C ATOM 162 CD1 LEU A 10 -1.295 0.469 -6.471 1.00 0.41 C ATOM 163 CD2 LEU A 10 -3.348 1.630 -7.257 1.00 0.41 C ATOM 0 H LEU A 10 0.453 4.034 -9.186 1.00 0.41 H new ATOM 0 HA LEU A 10 0.830 1.754 -7.446 1.00 0.40 H new ATOM 0 HB2 LEU A 10 -1.119 3.151 -7.163 1.00 0.41 H new ATOM 0 HB3 LEU A 10 -1.579 2.975 -8.845 1.00 0.41 H new ATOM 0 HG LEU A 10 -1.973 0.540 -8.511 1.00 0.37 H new ATOM 0 HD11 LEU A 10 -1.885 -0.415 -6.227 1.00 0.41 H new ATOM 0 HD12 LEU A 10 -0.283 0.167 -6.741 1.00 0.41 H new ATOM 0 HD13 LEU A 10 -1.258 1.130 -5.605 1.00 0.41 H new ATOM 0 HD21 LEU A 10 -3.937 0.749 -7.003 1.00 0.41 H new ATOM 0 HD22 LEU A 10 -3.301 2.295 -6.395 1.00 0.41 H new ATOM 0 HD23 LEU A 10 -3.816 2.151 -8.092 1.00 0.41 H new ATOM 175 N LYS A 11 0.311 1.247 -10.645 1.00 0.42 N ATOM 176 CA LYS A 11 0.314 0.161 -11.654 1.00 0.44 C ATOM 177 C LYS A 11 1.619 -0.616 -11.527 1.00 0.43 C ATOM 178 O LYS A 11 1.679 -1.801 -11.789 1.00 0.45 O ATOM 179 CB LYS A 11 0.192 0.768 -13.063 1.00 0.49 C ATOM 180 CG LYS A 11 1.521 1.415 -13.481 1.00 0.83 C ATOM 181 CD LYS A 11 1.291 2.363 -14.661 1.00 0.98 C ATOM 182 CE LYS A 11 2.640 2.864 -15.182 1.00 1.64 C ATOM 183 NZ LYS A 11 3.448 1.706 -15.662 1.00 2.31 N ATOM 0 H LYS A 11 0.301 2.196 -11.019 1.00 0.42 H new ATOM 0 HA LYS A 11 -0.529 -0.510 -11.489 1.00 0.44 H new ATOM 0 HB2 LYS A 11 -0.084 -0.007 -13.778 1.00 0.49 H new ATOM 0 HB3 LYS A 11 -0.604 1.513 -13.078 1.00 0.49 H new ATOM 0 HG2 LYS A 11 1.949 1.963 -12.641 1.00 0.83 H new ATOM 0 HG3 LYS A 11 2.240 0.644 -13.758 1.00 0.83 H new ATOM 0 HD2 LYS A 11 0.751 1.848 -15.455 1.00 0.98 H new ATOM 0 HD3 LYS A 11 0.673 3.206 -14.350 1.00 0.98 H new ATOM 0 HE2 LYS A 11 2.487 3.576 -15.993 1.00 1.64 H new ATOM 0 HE3 LYS A 11 3.174 3.391 -14.392 1.00 1.64 H new ATOM 0 HZ1 LYS A 11 3.880 1.940 -16.579 1.00 2.31 H new ATOM 0 HZ2 LYS A 11 4.196 1.494 -14.971 1.00 2.31 H new ATOM 0 HZ3 LYS A 11 2.833 0.875 -15.771 1.00 2.31 H new ATOM 197 N ASP A 12 2.673 0.051 -11.140 1.00 0.43 N ATOM 198 CA ASP A 12 3.976 -0.648 -11.017 1.00 0.45 C ATOM 199 C ASP A 12 3.821 -1.829 -10.058 1.00 0.44 C ATOM 200 O ASP A 12 4.570 -2.786 -10.102 1.00 0.46 O ATOM 201 CB ASP A 12 5.024 0.324 -10.470 1.00 0.48 C ATOM 202 CG ASP A 12 6.417 -0.291 -10.617 1.00 1.16 C ATOM 203 OD1 ASP A 12 6.497 -1.500 -10.758 1.00 1.94 O ATOM 204 OD2 ASP A 12 7.380 0.458 -10.586 1.00 1.88 O ATOM 0 H ASP A 12 2.685 1.044 -10.906 1.00 0.43 H new ATOM 0 HA ASP A 12 4.295 -1.010 -11.994 1.00 0.45 H new ATOM 0 HB2 ASP A 12 4.974 1.270 -11.009 1.00 0.48 H new ATOM 0 HB3 ASP A 12 4.820 0.543 -9.422 1.00 0.48 H new ATOM 209 N ALA A 13 2.855 -1.754 -9.170 1.00 0.43 N ATOM 210 CA ALA A 13 2.655 -2.856 -8.187 1.00 0.45 C ATOM 211 C ALA A 13 2.286 -4.149 -8.917 1.00 0.49 C ATOM 212 O ALA A 13 2.682 -5.227 -8.520 1.00 0.57 O ATOM 213 CB ALA A 13 1.530 -2.476 -7.222 1.00 0.44 C ATOM 0 H ALA A 13 2.200 -0.976 -9.088 1.00 0.43 H new ATOM 0 HA ALA A 13 3.580 -3.013 -7.631 1.00 0.45 H new ATOM 0 HB1 ALA A 13 1.381 -3.280 -6.502 1.00 0.44 H new ATOM 0 HB2 ALA A 13 1.797 -1.561 -6.694 1.00 0.44 H new ATOM 0 HB3 ALA A 13 0.609 -2.316 -7.782 1.00 0.44 H new ATOM 219 N TYR A 14 1.530 -4.055 -9.976 1.00 0.54 N ATOM 220 CA TYR A 14 1.141 -5.288 -10.717 1.00 0.60 C ATOM 221 C TYR A 14 2.328 -5.785 -11.548 1.00 0.67 C ATOM 222 O TYR A 14 2.161 -6.490 -12.523 1.00 1.15 O ATOM 223 CB TYR A 14 -0.053 -4.986 -11.630 1.00 0.61 C ATOM 224 CG TYR A 14 -1.069 -4.144 -10.881 1.00 0.58 C ATOM 225 CD1 TYR A 14 -1.571 -4.580 -9.645 1.00 1.37 C ATOM 226 CD2 TYR A 14 -1.508 -2.924 -11.418 1.00 1.32 C ATOM 227 CE1 TYR A 14 -2.505 -3.801 -8.953 1.00 1.41 C ATOM 228 CE2 TYR A 14 -2.444 -2.147 -10.723 1.00 1.33 C ATOM 229 CZ TYR A 14 -2.941 -2.585 -9.491 1.00 0.70 C ATOM 230 OH TYR A 14 -3.862 -1.819 -8.806 1.00 0.82 O ATOM 0 H TYR A 14 1.166 -3.182 -10.359 1.00 0.54 H new ATOM 0 HA TYR A 14 0.856 -6.064 -10.007 1.00 0.60 H new ATOM 0 HB2 TYR A 14 0.284 -4.459 -12.523 1.00 0.61 H new ATOM 0 HB3 TYR A 14 -0.513 -5.916 -11.964 1.00 0.61 H new ATOM 0 HD1 TYR A 14 -1.236 -5.518 -9.227 1.00 1.37 H new ATOM 0 HD2 TYR A 14 -1.124 -2.584 -12.368 1.00 1.32 H new ATOM 0 HE1 TYR A 14 -2.890 -4.139 -8.002 1.00 1.41 H new ATOM 0 HE2 TYR A 14 -2.782 -1.209 -11.139 1.00 1.33 H new ATOM 0 HH TYR A 14 -4.056 -1.006 -9.317 1.00 0.82 H new ATOM 240 N GLU A 15 3.529 -5.428 -11.156 1.00 0.57 N ATOM 241 CA GLU A 15 4.754 -5.879 -11.895 1.00 0.60 C ATOM 242 C GLU A 15 5.495 -6.907 -11.011 1.00 0.53 C ATOM 243 O GLU A 15 6.164 -6.512 -10.077 1.00 0.57 O ATOM 244 CB GLU A 15 5.665 -4.665 -12.134 1.00 0.68 C ATOM 245 CG GLU A 15 6.671 -4.976 -13.250 1.00 0.89 C ATOM 246 CD GLU A 15 7.595 -6.114 -12.813 1.00 1.59 C ATOM 247 OE1 GLU A 15 8.391 -5.893 -11.915 1.00 2.32 O ATOM 248 OE2 GLU A 15 7.493 -7.187 -13.386 1.00 2.12 O ATOM 0 H GLU A 15 3.715 -4.836 -10.346 1.00 0.57 H new ATOM 0 HA GLU A 15 4.485 -6.327 -12.852 1.00 0.60 H new ATOM 0 HB2 GLU A 15 5.064 -3.797 -12.406 1.00 0.68 H new ATOM 0 HB3 GLU A 15 6.195 -4.411 -11.216 1.00 0.68 H new ATOM 0 HG2 GLU A 15 6.142 -5.254 -14.162 1.00 0.89 H new ATOM 0 HG3 GLU A 15 7.258 -4.087 -13.481 1.00 0.89 H new ATOM 255 N PRO A 16 5.347 -8.193 -11.282 1.00 0.51 N ATOM 256 CA PRO A 16 5.996 -9.222 -10.449 1.00 0.48 C ATOM 257 C PRO A 16 7.528 -9.068 -10.435 1.00 0.51 C ATOM 258 O PRO A 16 8.106 -8.244 -11.114 1.00 0.76 O ATOM 259 CB PRO A 16 5.572 -10.574 -11.070 1.00 0.53 C ATOM 260 CG PRO A 16 4.599 -10.264 -12.241 1.00 0.64 C ATOM 261 CD PRO A 16 4.541 -8.730 -12.404 1.00 0.60 C ATOM 0 HA PRO A 16 5.690 -9.139 -9.406 1.00 0.48 H new ATOM 0 HB2 PRO A 16 6.443 -11.121 -11.430 1.00 0.53 H new ATOM 0 HB3 PRO A 16 5.086 -11.203 -10.324 1.00 0.53 H new ATOM 0 HG2 PRO A 16 4.945 -10.734 -13.161 1.00 0.64 H new ATOM 0 HG3 PRO A 16 3.607 -10.665 -12.032 1.00 0.64 H new ATOM 0 HD2 PRO A 16 4.949 -8.420 -13.366 1.00 0.60 H new ATOM 0 HD3 PRO A 16 3.514 -8.367 -12.361 1.00 0.60 H new ATOM 269 N LEU A 17 8.158 -9.882 -9.640 1.00 0.63 N ATOM 270 CA LEU A 17 9.641 -9.878 -9.486 1.00 0.74 C ATOM 271 C LEU A 17 10.162 -11.307 -9.638 1.00 0.79 C ATOM 272 O LEU A 17 9.452 -12.266 -9.407 1.00 1.03 O ATOM 273 CB LEU A 17 9.988 -9.381 -8.076 1.00 0.79 C ATOM 274 CG LEU A 17 9.568 -7.910 -7.910 1.00 1.26 C ATOM 275 CD1 LEU A 17 9.950 -7.436 -6.506 1.00 1.12 C ATOM 276 CD2 LEU A 17 10.275 -7.021 -8.954 1.00 2.28 C ATOM 0 H LEU A 17 7.686 -10.580 -9.065 1.00 0.63 H new ATOM 0 HA LEU A 17 10.091 -9.232 -10.240 1.00 0.74 H new ATOM 0 HB2 LEU A 17 9.483 -9.997 -7.332 1.00 0.79 H new ATOM 0 HB3 LEU A 17 11.059 -9.483 -7.901 1.00 0.79 H new ATOM 0 HG LEU A 17 8.491 -7.833 -8.056 1.00 1.26 H new ATOM 0 HD11 LEU A 17 9.655 -6.394 -6.381 1.00 1.12 H new ATOM 0 HD12 LEU A 17 9.439 -8.049 -5.763 1.00 1.12 H new ATOM 0 HD13 LEU A 17 11.028 -7.527 -6.372 1.00 1.12 H new ATOM 0 HD21 LEU A 17 9.964 -5.985 -8.820 1.00 2.28 H new ATOM 0 HD22 LEU A 17 11.355 -7.096 -8.824 1.00 2.28 H new ATOM 0 HD23 LEU A 17 10.006 -7.353 -9.957 1.00 2.28 H new ATOM 288 N TYR A 18 11.405 -11.457 -10.021 1.00 0.78 N ATOM 289 CA TYR A 18 11.986 -12.826 -10.186 1.00 0.88 C ATOM 290 C TYR A 18 12.625 -13.240 -8.842 1.00 0.76 C ATOM 291 O TYR A 18 12.824 -12.400 -7.987 1.00 0.63 O ATOM 292 CB TYR A 18 13.043 -12.819 -11.326 1.00 1.09 C ATOM 293 CG TYR A 18 13.056 -11.473 -12.033 1.00 0.78 C ATOM 294 CD1 TYR A 18 11.881 -10.973 -12.609 1.00 1.46 C ATOM 295 CD2 TYR A 18 14.241 -10.730 -12.115 1.00 1.41 C ATOM 296 CE1 TYR A 18 11.894 -9.735 -13.264 1.00 1.64 C ATOM 297 CE2 TYR A 18 14.255 -9.497 -12.768 1.00 1.67 C ATOM 298 CZ TYR A 18 13.081 -8.996 -13.344 1.00 1.40 C ATOM 299 OH TYR A 18 13.094 -7.777 -13.990 1.00 1.95 O ATOM 0 H TYR A 18 12.044 -10.689 -10.227 1.00 0.78 H new ATOM 0 HA TYR A 18 11.211 -13.542 -10.458 1.00 0.88 H new ATOM 0 HB2 TYR A 18 14.030 -13.030 -10.915 1.00 1.09 H new ATOM 0 HB3 TYR A 18 12.820 -13.610 -12.042 1.00 1.09 H new ATOM 0 HD1 TYR A 18 10.965 -11.542 -12.548 1.00 1.46 H new ATOM 0 HD2 TYR A 18 15.148 -11.113 -11.671 1.00 1.41 H new ATOM 0 HE1 TYR A 18 10.988 -9.350 -13.708 1.00 1.64 H new ATOM 0 HE2 TYR A 18 15.171 -8.929 -12.829 1.00 1.67 H new ATOM 0 HH TYR A 18 13.996 -7.397 -13.953 1.00 1.95 H new ATOM 309 N PRO A 19 12.920 -14.515 -8.675 1.00 0.88 N ATOM 310 CA PRO A 19 13.518 -15.006 -7.416 1.00 0.87 C ATOM 311 C PRO A 19 14.864 -14.316 -7.135 1.00 0.80 C ATOM 312 O PRO A 19 15.198 -14.040 -6.000 1.00 0.77 O ATOM 313 CB PRO A 19 13.706 -16.528 -7.628 1.00 1.11 C ATOM 314 CG PRO A 19 13.219 -16.865 -9.067 1.00 1.24 C ATOM 315 CD PRO A 19 12.690 -15.558 -9.701 1.00 1.09 C ATOM 0 HA PRO A 19 12.886 -14.790 -6.555 1.00 0.87 H new ATOM 0 HB2 PRO A 19 14.753 -16.806 -7.503 1.00 1.11 H new ATOM 0 HB3 PRO A 19 13.136 -17.091 -6.889 1.00 1.11 H new ATOM 0 HG2 PRO A 19 14.036 -17.275 -9.661 1.00 1.24 H new ATOM 0 HG3 PRO A 19 12.435 -17.621 -9.038 1.00 1.24 H new ATOM 0 HD2 PRO A 19 13.218 -15.326 -10.626 1.00 1.09 H new ATOM 0 HD3 PRO A 19 11.632 -15.640 -9.950 1.00 1.09 H new ATOM 323 N GLN A 20 15.648 -14.057 -8.147 1.00 0.80 N ATOM 324 CA GLN A 20 16.973 -13.411 -7.905 1.00 0.77 C ATOM 325 C GLN A 20 16.767 -11.972 -7.415 1.00 0.68 C ATOM 326 O GLN A 20 17.529 -11.466 -6.616 1.00 0.67 O ATOM 327 CB GLN A 20 17.794 -13.411 -9.205 1.00 0.85 C ATOM 328 CG GLN A 20 16.858 -13.205 -10.394 1.00 1.41 C ATOM 329 CD GLN A 20 17.670 -12.821 -11.635 1.00 1.86 C ATOM 330 OE1 GLN A 20 18.818 -12.436 -11.530 1.00 2.60 O ATOM 331 NE2 GLN A 20 17.118 -12.910 -12.815 1.00 2.30 N ATOM 0 H GLN A 20 15.432 -14.262 -9.123 1.00 0.80 H new ATOM 0 HA GLN A 20 17.513 -13.972 -7.142 1.00 0.77 H new ATOM 0 HB2 GLN A 20 18.543 -12.619 -9.176 1.00 0.85 H new ATOM 0 HB3 GLN A 20 18.331 -14.354 -9.309 1.00 0.85 H new ATOM 0 HG2 GLN A 20 16.293 -14.117 -10.586 1.00 1.41 H new ATOM 0 HG3 GLN A 20 16.133 -12.423 -10.166 1.00 1.41 H new ATOM 0 HE21 GLN A 20 16.155 -13.233 -12.904 1.00 2.30 H new ATOM 0 HE22 GLN A 20 17.650 -12.657 -13.647 1.00 2.30 H new ATOM 340 N GLN A 21 15.749 -11.308 -7.887 1.00 0.64 N ATOM 341 CA GLN A 21 15.511 -9.904 -7.445 1.00 0.59 C ATOM 342 C GLN A 21 15.107 -9.895 -5.965 1.00 0.50 C ATOM 343 O GLN A 21 15.579 -9.088 -5.186 1.00 0.47 O ATOM 344 CB GLN A 21 14.384 -9.286 -8.293 1.00 0.64 C ATOM 345 CG GLN A 21 14.956 -8.742 -9.607 1.00 1.02 C ATOM 346 CD GLN A 21 15.710 -7.437 -9.337 1.00 1.57 C ATOM 347 OE1 GLN A 21 16.173 -6.788 -10.254 1.00 2.34 O ATOM 348 NE2 GLN A 21 15.852 -7.021 -8.108 1.00 1.94 N ATOM 0 H GLN A 21 15.073 -11.674 -8.557 1.00 0.64 H new ATOM 0 HA GLN A 21 16.423 -9.321 -7.573 1.00 0.59 H new ATOM 0 HB2 GLN A 21 13.621 -10.036 -8.502 1.00 0.64 H new ATOM 0 HB3 GLN A 21 13.898 -8.483 -7.738 1.00 0.64 H new ATOM 0 HG2 GLN A 21 15.627 -9.475 -10.055 1.00 1.02 H new ATOM 0 HG3 GLN A 21 14.151 -8.568 -10.321 1.00 1.02 H new ATOM 0 HE21 GLN A 21 15.464 -7.565 -7.337 1.00 1.94 H new ATOM 0 HE22 GLN A 21 16.351 -6.152 -7.918 1.00 1.94 H new ATOM 357 N LEU A 22 14.232 -10.779 -5.576 1.00 0.52 N ATOM 358 CA LEU A 22 13.790 -10.811 -4.157 1.00 0.46 C ATOM 359 C LEU A 22 14.921 -11.326 -3.263 1.00 0.42 C ATOM 360 O LEU A 22 15.036 -10.938 -2.117 1.00 0.40 O ATOM 361 CB LEU A 22 12.576 -11.737 -4.036 1.00 0.52 C ATOM 362 CG LEU A 22 11.956 -11.633 -2.633 1.00 0.59 C ATOM 363 CD1 LEU A 22 11.209 -10.298 -2.465 1.00 0.52 C ATOM 364 CD2 LEU A 22 10.975 -12.793 -2.443 1.00 0.93 C ATOM 0 H LEU A 22 13.804 -11.481 -6.180 1.00 0.52 H new ATOM 0 HA LEU A 22 13.523 -9.804 -3.838 1.00 0.46 H new ATOM 0 HB2 LEU A 22 11.833 -11.472 -4.789 1.00 0.52 H new ATOM 0 HB3 LEU A 22 12.876 -12.766 -4.232 1.00 0.52 H new ATOM 0 HG LEU A 22 12.750 -11.679 -1.887 1.00 0.59 H new ATOM 0 HD11 LEU A 22 10.778 -10.245 -1.465 1.00 0.52 H new ATOM 0 HD12 LEU A 22 11.906 -9.471 -2.604 1.00 0.52 H new ATOM 0 HD13 LEU A 22 10.413 -10.230 -3.207 1.00 0.52 H new ATOM 0 HD21 LEU A 22 10.527 -12.732 -1.451 1.00 0.93 H new ATOM 0 HD22 LEU A 22 10.192 -12.735 -3.199 1.00 0.93 H new ATOM 0 HD23 LEU A 22 11.507 -13.739 -2.543 1.00 0.93 H new ATOM 376 N GLU A 23 15.754 -12.204 -3.760 1.00 0.44 N ATOM 377 CA GLU A 23 16.853 -12.731 -2.899 1.00 0.42 C ATOM 378 C GLU A 23 17.927 -11.652 -2.729 1.00 0.38 C ATOM 379 O GLU A 23 18.601 -11.587 -1.720 1.00 0.37 O ATOM 380 CB GLU A 23 17.465 -13.980 -3.538 1.00 0.47 C ATOM 381 CG GLU A 23 16.490 -15.153 -3.412 1.00 1.13 C ATOM 382 CD GLU A 23 17.004 -16.334 -4.239 1.00 1.66 C ATOM 383 OE1 GLU A 23 18.161 -16.304 -4.623 1.00 2.28 O ATOM 384 OE2 GLU A 23 16.231 -17.249 -4.473 1.00 2.30 O ATOM 0 H GLU A 23 15.722 -12.574 -4.710 1.00 0.44 H new ATOM 0 HA GLU A 23 16.450 -12.998 -1.922 1.00 0.42 H new ATOM 0 HB2 GLU A 23 17.688 -13.791 -4.588 1.00 0.47 H new ATOM 0 HB3 GLU A 23 18.409 -14.225 -3.050 1.00 0.47 H new ATOM 0 HG2 GLU A 23 16.388 -15.444 -2.367 1.00 1.13 H new ATOM 0 HG3 GLU A 23 15.500 -14.856 -3.758 1.00 1.13 H new ATOM 391 N ILE A 24 18.087 -10.800 -3.707 1.00 0.39 N ATOM 392 CA ILE A 24 19.109 -9.724 -3.599 1.00 0.39 C ATOM 393 C ILE A 24 18.746 -8.819 -2.416 1.00 0.36 C ATOM 394 O ILE A 24 19.573 -8.522 -1.576 1.00 0.37 O ATOM 395 CB ILE A 24 19.133 -8.921 -4.916 1.00 0.44 C ATOM 396 CG1 ILE A 24 19.978 -9.672 -5.955 1.00 0.52 C ATOM 397 CG2 ILE A 24 19.734 -7.529 -4.686 1.00 0.48 C ATOM 398 CD1 ILE A 24 19.753 -9.064 -7.342 1.00 0.89 C ATOM 0 H ILE A 24 17.552 -10.805 -4.576 1.00 0.39 H new ATOM 0 HA ILE A 24 20.099 -10.147 -3.430 1.00 0.39 H new ATOM 0 HB ILE A 24 18.111 -8.809 -5.277 1.00 0.44 H new ATOM 0 HG12 ILE A 24 21.034 -9.615 -5.689 1.00 0.52 H new ATOM 0 HG13 ILE A 24 19.708 -10.728 -5.962 1.00 0.52 H new ATOM 0 HG21 ILE A 24 19.743 -6.977 -5.626 1.00 0.48 H new ATOM 0 HG22 ILE A 24 19.133 -6.990 -3.954 1.00 0.48 H new ATOM 0 HG23 ILE A 24 20.754 -7.630 -4.315 1.00 0.48 H new ATOM 0 HD11 ILE A 24 20.355 -9.600 -8.076 1.00 0.89 H new ATOM 0 HD12 ILE A 24 18.699 -9.145 -7.608 1.00 0.89 H new ATOM 0 HD13 ILE A 24 20.045 -8.014 -7.331 1.00 0.89 H new ATOM 410 N LEU A 25 17.519 -8.381 -2.339 1.00 0.34 N ATOM 411 CA LEU A 25 17.118 -7.503 -1.202 1.00 0.34 C ATOM 412 C LEU A 25 17.291 -8.272 0.112 1.00 0.32 C ATOM 413 O LEU A 25 17.547 -7.697 1.151 1.00 0.34 O ATOM 414 CB LEU A 25 15.653 -7.085 -1.363 1.00 0.36 C ATOM 415 CG LEU A 25 15.445 -6.405 -2.724 1.00 0.38 C ATOM 416 CD1 LEU A 25 13.945 -6.259 -2.991 1.00 0.44 C ATOM 417 CD2 LEU A 25 16.101 -5.015 -2.730 1.00 0.41 C ATOM 0 H LEU A 25 16.780 -8.591 -3.010 1.00 0.34 H new ATOM 0 HA LEU A 25 17.745 -6.611 -1.191 1.00 0.34 H new ATOM 0 HB2 LEU A 25 15.006 -7.959 -1.282 1.00 0.36 H new ATOM 0 HB3 LEU A 25 15.371 -6.404 -0.560 1.00 0.36 H new ATOM 0 HG LEU A 25 15.904 -7.016 -3.501 1.00 0.38 H new ATOM 0 HD11 LEU A 25 13.793 -5.777 -3.956 1.00 0.44 H new ATOM 0 HD12 LEU A 25 13.479 -7.245 -3.000 1.00 0.44 H new ATOM 0 HD13 LEU A 25 13.493 -5.652 -2.207 1.00 0.44 H new ATOM 0 HD21 LEU A 25 15.946 -4.544 -3.701 1.00 0.41 H new ATOM 0 HD22 LEU A 25 15.653 -4.398 -1.951 1.00 0.41 H new ATOM 0 HD23 LEU A 25 17.170 -5.116 -2.542 1.00 0.41 H new ATOM 429 N ARG A 26 17.161 -9.570 0.069 1.00 0.31 N ATOM 430 CA ARG A 26 17.325 -10.384 1.308 1.00 0.33 C ATOM 431 C ARG A 26 18.815 -10.522 1.622 1.00 0.31 C ATOM 432 O ARG A 26 19.229 -10.462 2.763 1.00 0.32 O ATOM 433 CB ARG A 26 16.718 -11.772 1.093 1.00 0.38 C ATOM 434 CG ARG A 26 16.656 -12.515 2.433 1.00 0.69 C ATOM 435 CD ARG A 26 16.050 -13.921 2.238 1.00 1.00 C ATOM 436 NE ARG A 26 15.112 -14.233 3.363 1.00 1.36 N ATOM 437 CZ ARG A 26 15.448 -14.012 4.608 1.00 1.86 C ATOM 438 NH1 ARG A 26 16.656 -13.623 4.909 1.00 2.36 N ATOM 439 NH2 ARG A 26 14.579 -14.219 5.560 1.00 2.46 N ATOM 0 H ARG A 26 16.948 -10.104 -0.774 1.00 0.31 H new ATOM 0 HA ARG A 26 16.817 -9.894 2.139 1.00 0.33 H new ATOM 0 HB2 ARG A 26 15.718 -11.682 0.668 1.00 0.38 H new ATOM 0 HB3 ARG A 26 17.318 -12.337 0.379 1.00 0.38 H new ATOM 0 HG2 ARG A 26 17.657 -12.598 2.857 1.00 0.69 H new ATOM 0 HG3 ARG A 26 16.055 -11.948 3.144 1.00 0.69 H new ATOM 0 HD2 ARG A 26 15.520 -13.969 1.287 1.00 1.00 H new ATOM 0 HD3 ARG A 26 16.844 -14.666 2.198 1.00 1.00 H new ATOM 0 HE ARG A 26 14.194 -14.625 3.155 1.00 1.36 H new ATOM 0 HH11 ARG A 26 17.347 -13.489 4.171 1.00 2.36 H new ATOM 0 HH12 ARG A 26 16.909 -13.453 5.882 1.00 2.36 H new ATOM 0 HH21 ARG A 26 13.642 -14.552 5.332 1.00 2.46 H new ATOM 0 HH22 ARG A 26 14.837 -14.048 6.532 1.00 2.46 H new ATOM 453 N GLN A 27 19.626 -10.682 0.612 1.00 0.31 N ATOM 454 CA GLN A 27 21.094 -10.799 0.836 1.00 0.32 C ATOM 455 C GLN A 27 21.592 -9.558 1.574 1.00 0.31 C ATOM 456 O GLN A 27 22.372 -9.641 2.501 1.00 0.33 O ATOM 457 CB GLN A 27 21.796 -10.876 -0.523 1.00 0.33 C ATOM 458 CG GLN A 27 23.280 -11.184 -0.309 1.00 0.99 C ATOM 459 CD GLN A 27 23.963 -11.387 -1.663 1.00 1.48 C ATOM 460 OE1 GLN A 27 23.518 -10.864 -2.665 1.00 2.02 O ATOM 461 NE2 GLN A 27 25.034 -12.130 -1.734 1.00 2.23 N ATOM 0 H GLN A 27 19.333 -10.737 -0.363 1.00 0.31 H new ATOM 0 HA GLN A 27 21.307 -11.691 1.424 1.00 0.32 H new ATOM 0 HB2 GLN A 27 21.337 -11.650 -1.139 1.00 0.33 H new ATOM 0 HB3 GLN A 27 21.682 -9.933 -1.058 1.00 0.33 H new ATOM 0 HG2 GLN A 27 23.757 -10.366 0.231 1.00 0.99 H new ATOM 0 HG3 GLN A 27 23.391 -12.079 0.304 1.00 0.99 H new ATOM 0 HE21 GLN A 27 25.407 -12.569 -0.892 1.00 2.23 H new ATOM 0 HE22 GLN A 27 25.498 -12.272 -2.631 1.00 2.23 H new ATOM 470 N GLN A 28 21.144 -8.403 1.160 1.00 0.30 N ATOM 471 CA GLN A 28 21.586 -7.146 1.823 1.00 0.31 C ATOM 472 C GLN A 28 20.999 -7.081 3.232 1.00 0.30 C ATOM 473 O GLN A 28 21.638 -6.620 4.158 1.00 0.34 O ATOM 474 CB GLN A 28 21.098 -5.943 1.012 1.00 0.33 C ATOM 475 CG GLN A 28 21.852 -5.881 -0.318 1.00 1.10 C ATOM 476 CD GLN A 28 23.302 -5.461 -0.067 1.00 1.61 C ATOM 477 OE1 GLN A 28 23.574 -4.672 0.816 1.00 2.28 O ATOM 478 NE2 GLN A 28 24.251 -5.957 -0.813 1.00 2.28 N ATOM 0 H GLN A 28 20.489 -8.278 0.388 1.00 0.30 H new ATOM 0 HA GLN A 28 22.674 -7.128 1.881 1.00 0.31 H new ATOM 0 HB2 GLN A 28 20.026 -6.024 0.831 1.00 0.33 H new ATOM 0 HB3 GLN A 28 21.257 -5.023 1.575 1.00 0.33 H new ATOM 0 HG2 GLN A 28 21.824 -6.854 -0.809 1.00 1.10 H new ATOM 0 HG3 GLN A 28 21.368 -5.171 -0.989 1.00 1.10 H new ATOM 0 HE21 GLN A 28 24.023 -6.619 -1.554 1.00 2.28 H new ATOM 0 HE22 GLN A 28 25.220 -5.682 -0.655 1.00 2.28 H new ATOM 487 N VAL A 29 19.789 -7.537 3.408 1.00 0.27 N ATOM 488 CA VAL A 29 19.179 -7.493 4.766 1.00 0.28 C ATOM 489 C VAL A 29 19.918 -8.478 5.678 1.00 0.30 C ATOM 490 O VAL A 29 20.355 -8.133 6.758 1.00 0.33 O ATOM 491 CB VAL A 29 17.695 -7.874 4.660 1.00 0.27 C ATOM 492 CG1 VAL A 29 17.119 -8.189 6.050 1.00 0.30 C ATOM 493 CG2 VAL A 29 16.924 -6.708 4.035 1.00 0.27 C ATOM 0 H VAL A 29 19.201 -7.935 2.676 1.00 0.27 H new ATOM 0 HA VAL A 29 19.260 -6.490 5.186 1.00 0.28 H new ATOM 0 HB VAL A 29 17.598 -8.762 4.036 1.00 0.27 H new ATOM 0 HG11 VAL A 29 16.067 -8.457 5.956 1.00 0.30 H new ATOM 0 HG12 VAL A 29 17.667 -9.022 6.491 1.00 0.30 H new ATOM 0 HG13 VAL A 29 17.214 -7.312 6.690 1.00 0.30 H new ATOM 0 HG21 VAL A 29 15.869 -6.970 3.956 1.00 0.27 H new ATOM 0 HG22 VAL A 29 17.032 -5.823 4.662 1.00 0.27 H new ATOM 0 HG23 VAL A 29 17.321 -6.500 3.042 1.00 0.27 H new ATOM 503 N VAL A 30 20.051 -9.702 5.253 1.00 0.31 N ATOM 504 CA VAL A 30 20.750 -10.716 6.088 1.00 0.35 C ATOM 505 C VAL A 30 22.218 -10.327 6.270 1.00 0.37 C ATOM 506 O VAL A 30 22.764 -10.412 7.352 1.00 0.42 O ATOM 507 CB VAL A 30 20.678 -12.066 5.378 1.00 0.35 C ATOM 508 CG1 VAL A 30 21.412 -13.123 6.199 1.00 0.40 C ATOM 509 CG2 VAL A 30 19.214 -12.470 5.210 1.00 0.35 C ATOM 0 H VAL A 30 19.703 -10.046 4.358 1.00 0.31 H new ATOM 0 HA VAL A 30 20.272 -10.772 7.066 1.00 0.35 H new ATOM 0 HB VAL A 30 21.150 -11.986 4.399 1.00 0.35 H new ATOM 0 HG11 VAL A 30 21.357 -14.084 5.687 1.00 0.40 H new ATOM 0 HG12 VAL A 30 22.456 -12.833 6.315 1.00 0.40 H new ATOM 0 HG13 VAL A 30 20.947 -13.208 7.181 1.00 0.40 H new ATOM 0 HG21 VAL A 30 19.158 -13.433 4.703 1.00 0.35 H new ATOM 0 HG22 VAL A 30 18.743 -12.548 6.190 1.00 0.35 H new ATOM 0 HG23 VAL A 30 18.695 -11.717 4.617 1.00 0.35 H new ATOM 519 N SER A 31 22.865 -9.921 5.215 1.00 0.36 N ATOM 520 CA SER A 31 24.306 -9.550 5.323 1.00 0.39 C ATOM 521 C SER A 31 24.498 -8.477 6.399 1.00 0.42 C ATOM 522 O SER A 31 25.535 -8.399 7.026 1.00 0.47 O ATOM 523 CB SER A 31 24.803 -9.022 3.977 1.00 0.38 C ATOM 524 OG SER A 31 26.148 -8.583 4.112 1.00 1.36 O ATOM 0 H SER A 31 22.461 -9.829 4.283 1.00 0.36 H new ATOM 0 HA SER A 31 24.878 -10.435 5.601 1.00 0.39 H new ATOM 0 HB2 SER A 31 24.738 -9.804 3.220 1.00 0.38 H new ATOM 0 HB3 SER A 31 24.172 -8.199 3.641 1.00 0.38 H new ATOM 0 HG SER A 31 26.470 -8.245 3.250 1.00 1.36 H new ATOM 530 N GLU A 32 23.516 -7.644 6.618 1.00 0.42 N ATOM 531 CA GLU A 32 23.663 -6.580 7.653 1.00 0.47 C ATOM 532 C GLU A 32 23.339 -7.155 9.035 1.00 0.49 C ATOM 533 O GLU A 32 23.576 -6.524 10.046 1.00 0.54 O ATOM 534 CB GLU A 32 22.705 -5.428 7.341 1.00 0.48 C ATOM 535 CG GLU A 32 23.139 -4.735 6.045 1.00 0.79 C ATOM 536 CD GLU A 32 24.377 -3.875 6.312 1.00 1.50 C ATOM 537 OE1 GLU A 32 24.242 -2.871 6.991 1.00 2.23 O ATOM 538 OE2 GLU A 32 25.439 -4.235 5.831 1.00 2.22 O ATOM 0 H GLU A 32 22.622 -7.654 6.127 1.00 0.42 H new ATOM 0 HA GLU A 32 24.689 -6.212 7.648 1.00 0.47 H new ATOM 0 HB2 GLU A 32 21.687 -5.805 7.240 1.00 0.48 H new ATOM 0 HB3 GLU A 32 22.700 -4.713 8.164 1.00 0.48 H new ATOM 0 HG2 GLU A 32 23.359 -5.479 5.279 1.00 0.79 H new ATOM 0 HG3 GLU A 32 22.328 -4.114 5.663 1.00 0.79 H new ATOM 545 N GLY A 33 22.803 -8.352 9.086 1.00 0.47 N ATOM 546 CA GLY A 33 22.460 -8.987 10.402 1.00 0.50 C ATOM 547 C GLY A 33 21.011 -9.484 10.367 1.00 0.50 C ATOM 548 O GLY A 33 20.577 -10.215 11.232 1.00 0.66 O ATOM 0 H GLY A 33 22.587 -8.921 8.268 1.00 0.47 H new ATOM 0 HA2 GLY A 33 23.136 -9.818 10.604 1.00 0.50 H new ATOM 0 HA3 GLY A 33 22.589 -8.267 11.210 1.00 0.50 H new ATOM 552 N GLY A 34 20.267 -9.086 9.369 1.00 0.43 N ATOM 553 CA GLY A 34 18.841 -9.524 9.263 1.00 0.43 C ATOM 554 C GLY A 34 17.934 -8.496 9.979 1.00 0.43 C ATOM 555 O GLY A 34 17.844 -7.374 9.522 1.00 0.41 O ATOM 0 H GLY A 34 20.586 -8.473 8.618 1.00 0.43 H new ATOM 0 HA2 GLY A 34 18.553 -9.612 8.215 1.00 0.43 H new ATOM 0 HA3 GLY A 34 18.717 -10.510 9.712 1.00 0.43 H new ATOM 559 N PRO A 35 17.286 -8.865 11.078 1.00 0.47 N ATOM 560 CA PRO A 35 16.418 -7.909 11.796 1.00 0.51 C ATOM 561 C PRO A 35 17.224 -6.659 12.177 1.00 0.52 C ATOM 562 O PRO A 35 16.763 -5.542 12.052 1.00 0.64 O ATOM 563 CB PRO A 35 15.937 -8.671 13.055 1.00 0.57 C ATOM 564 CG PRO A 35 16.488 -10.122 12.964 1.00 0.58 C ATOM 565 CD PRO A 35 17.353 -10.214 11.690 1.00 0.52 C ATOM 0 HA PRO A 35 15.577 -7.568 11.192 1.00 0.51 H new ATOM 0 HB2 PRO A 35 16.296 -8.181 13.960 1.00 0.57 H new ATOM 0 HB3 PRO A 35 14.848 -8.677 13.106 1.00 0.57 H new ATOM 0 HG2 PRO A 35 17.080 -10.363 13.847 1.00 0.58 H new ATOM 0 HG3 PRO A 35 15.669 -10.841 12.924 1.00 0.58 H new ATOM 0 HD2 PRO A 35 18.381 -10.487 11.930 1.00 0.52 H new ATOM 0 HD3 PRO A 35 16.972 -10.975 11.009 1.00 0.52 H new ATOM 573 N THR A 36 18.423 -6.852 12.651 1.00 0.50 N ATOM 574 CA THR A 36 19.274 -5.698 13.056 1.00 0.50 C ATOM 575 C THR A 36 19.728 -4.918 11.820 1.00 0.48 C ATOM 576 O THR A 36 20.525 -4.006 11.913 1.00 0.48 O ATOM 577 CB THR A 36 20.508 -6.228 13.791 1.00 0.51 C ATOM 578 OG1 THR A 36 21.357 -6.897 12.871 1.00 0.69 O ATOM 579 CG2 THR A 36 20.070 -7.200 14.888 1.00 0.80 C ATOM 0 H THR A 36 18.854 -7.768 12.776 1.00 0.50 H new ATOM 0 HA THR A 36 18.699 -5.037 13.704 1.00 0.50 H new ATOM 0 HB THR A 36 21.049 -5.396 14.241 1.00 0.51 H new ATOM 0 HG1 THR A 36 22.148 -7.235 13.341 1.00 0.69 H new ATOM 0 HG21 THR A 36 20.948 -7.578 15.412 1.00 0.80 H new ATOM 0 HG22 THR A 36 19.421 -6.683 15.595 1.00 0.80 H new ATOM 0 HG23 THR A 36 19.528 -8.033 14.441 1.00 0.80 H new ATOM 587 N ALA A 37 19.239 -5.269 10.662 1.00 0.48 N ATOM 588 CA ALA A 37 19.661 -4.543 9.430 1.00 0.48 C ATOM 589 C ALA A 37 19.175 -3.093 9.491 1.00 0.55 C ATOM 590 O ALA A 37 18.271 -2.761 10.231 1.00 1.10 O ATOM 591 CB ALA A 37 19.067 -5.226 8.198 1.00 0.42 C ATOM 0 H ALA A 37 18.569 -6.024 10.516 1.00 0.48 H new ATOM 0 HA ALA A 37 20.749 -4.558 9.364 1.00 0.48 H new ATOM 0 HB1 ALA A 37 19.378 -4.692 7.300 1.00 0.42 H new ATOM 0 HB2 ALA A 37 19.419 -6.256 8.148 1.00 0.42 H new ATOM 0 HB3 ALA A 37 17.979 -5.218 8.266 1.00 0.42 H new ATOM 597 N THR A 38 19.772 -2.228 8.717 1.00 0.45 N ATOM 598 CA THR A 38 19.348 -0.799 8.727 1.00 0.46 C ATOM 599 C THR A 38 17.918 -0.688 8.191 1.00 0.40 C ATOM 600 O THR A 38 17.389 -1.611 7.604 1.00 0.36 O ATOM 601 CB THR A 38 20.295 0.023 7.842 1.00 0.48 C ATOM 602 OG1 THR A 38 20.586 -0.708 6.659 1.00 0.66 O ATOM 603 CG2 THR A 38 21.595 0.309 8.598 1.00 0.66 C ATOM 0 H THR A 38 20.535 -2.449 8.078 1.00 0.45 H new ATOM 0 HA THR A 38 19.383 -0.416 9.747 1.00 0.46 H new ATOM 0 HB THR A 38 19.817 0.967 7.582 1.00 0.48 H new ATOM 0 HG1 THR A 38 21.189 -0.185 6.091 1.00 0.66 H new ATOM 0 HG21 THR A 38 22.263 0.893 7.965 1.00 0.66 H new ATOM 0 HG22 THR A 38 21.372 0.871 9.505 1.00 0.66 H new ATOM 0 HG23 THR A 38 22.076 -0.632 8.863 1.00 0.66 H new ATOM 611 N ILE A 39 17.290 0.435 8.398 1.00 0.47 N ATOM 612 CA ILE A 39 15.893 0.618 7.913 1.00 0.45 C ATOM 613 C ILE A 39 15.871 0.596 6.378 1.00 0.40 C ATOM 614 O ILE A 39 15.030 -0.037 5.771 1.00 0.38 O ATOM 615 CB ILE A 39 15.365 1.968 8.438 1.00 0.55 C ATOM 616 CG1 ILE A 39 14.939 1.809 9.903 1.00 0.73 C ATOM 617 CG2 ILE A 39 14.165 2.436 7.606 1.00 0.53 C ATOM 618 CD1 ILE A 39 14.703 3.187 10.526 1.00 0.73 C ATOM 0 H ILE A 39 17.686 1.239 8.885 1.00 0.47 H new ATOM 0 HA ILE A 39 15.258 -0.189 8.278 1.00 0.45 H new ATOM 0 HB ILE A 39 16.157 2.712 8.359 1.00 0.55 H new ATOM 0 HG12 ILE A 39 14.029 1.211 9.964 1.00 0.73 H new ATOM 0 HG13 ILE A 39 15.709 1.275 10.460 1.00 0.73 H new ATOM 0 HG21 ILE A 39 13.805 3.390 7.991 1.00 0.53 H new ATOM 0 HG22 ILE A 39 14.468 2.555 6.566 1.00 0.53 H new ATOM 0 HG23 ILE A 39 13.368 1.696 7.669 1.00 0.53 H new ATOM 0 HD11 ILE A 39 14.401 3.069 11.567 1.00 0.73 H new ATOM 0 HD12 ILE A 39 15.623 3.770 10.479 1.00 0.73 H new ATOM 0 HD13 ILE A 39 13.917 3.705 9.976 1.00 0.73 H new ATOM 630 N GLN A 40 16.775 1.291 5.749 1.00 0.42 N ATOM 631 CA GLN A 40 16.790 1.319 4.258 1.00 0.43 C ATOM 632 C GLN A 40 16.790 -0.111 3.713 1.00 0.35 C ATOM 633 O GLN A 40 16.292 -0.375 2.636 1.00 0.37 O ATOM 634 CB GLN A 40 18.045 2.049 3.776 1.00 0.53 C ATOM 635 CG GLN A 40 18.057 3.471 4.342 1.00 1.38 C ATOM 636 CD GLN A 40 19.364 4.164 3.956 1.00 1.91 C ATOM 637 OE1 GLN A 40 19.969 4.839 4.765 1.00 2.54 O ATOM 638 NE2 GLN A 40 19.828 4.026 2.744 1.00 2.43 N ATOM 0 H GLN A 40 17.505 1.842 6.201 1.00 0.42 H new ATOM 0 HA GLN A 40 15.903 1.840 3.898 1.00 0.43 H new ATOM 0 HB2 GLN A 40 18.937 1.511 4.096 1.00 0.53 H new ATOM 0 HB3 GLN A 40 18.065 2.080 2.687 1.00 0.53 H new ATOM 0 HG2 GLN A 40 17.207 4.034 3.956 1.00 1.38 H new ATOM 0 HG3 GLN A 40 17.955 3.443 5.427 1.00 1.38 H new ATOM 0 HE21 GLN A 40 19.320 3.459 2.065 1.00 2.43 H new ATOM 0 HE22 GLN A 40 20.699 4.485 2.476 1.00 2.43 H new ATOM 647 N SER A 41 17.346 -1.034 4.446 1.00 0.31 N ATOM 648 CA SER A 41 17.382 -2.446 3.967 1.00 0.28 C ATOM 649 C SER A 41 15.987 -3.062 4.083 1.00 0.24 C ATOM 650 O SER A 41 15.490 -3.679 3.162 1.00 0.25 O ATOM 651 CB SER A 41 18.360 -3.247 4.824 1.00 0.29 C ATOM 652 OG SER A 41 17.776 -3.485 6.097 1.00 1.32 O ATOM 0 H SER A 41 17.777 -0.873 5.356 1.00 0.31 H new ATOM 0 HA SER A 41 17.704 -2.467 2.926 1.00 0.28 H new ATOM 0 HB2 SER A 41 18.599 -4.193 4.337 1.00 0.29 H new ATOM 0 HB3 SER A 41 19.296 -2.701 4.936 1.00 0.29 H new ATOM 0 HG SER A 41 17.629 -2.631 6.554 1.00 1.32 H new ATOM 658 N ARG A 42 15.353 -2.898 5.210 1.00 0.22 N ATOM 659 CA ARG A 42 13.990 -3.470 5.394 1.00 0.21 C ATOM 660 C ARG A 42 13.003 -2.706 4.510 1.00 0.20 C ATOM 661 O ARG A 42 12.082 -3.270 3.954 1.00 0.20 O ATOM 662 CB ARG A 42 13.576 -3.325 6.863 1.00 0.24 C ATOM 663 CG ARG A 42 14.594 -4.036 7.781 1.00 0.52 C ATOM 664 CD ARG A 42 14.185 -5.500 7.986 1.00 0.82 C ATOM 665 NE ARG A 42 12.898 -5.565 8.757 1.00 1.50 N ATOM 666 CZ ARG A 42 12.783 -5.036 9.948 1.00 1.92 C ATOM 667 NH1 ARG A 42 13.834 -4.593 10.581 1.00 1.83 N ATOM 668 NH2 ARG A 42 11.616 -4.997 10.528 1.00 2.91 N ATOM 0 H ARG A 42 15.721 -2.391 6.015 1.00 0.22 H new ATOM 0 HA ARG A 42 13.990 -4.524 5.117 1.00 0.21 H new ATOM 0 HB2 ARG A 42 13.513 -2.269 7.127 1.00 0.24 H new ATOM 0 HB3 ARG A 42 12.583 -3.750 7.012 1.00 0.24 H new ATOM 0 HG2 ARG A 42 15.590 -3.987 7.340 1.00 0.52 H new ATOM 0 HG3 ARG A 42 14.646 -3.526 8.743 1.00 0.52 H new ATOM 0 HD2 ARG A 42 14.067 -5.993 7.021 1.00 0.82 H new ATOM 0 HD3 ARG A 42 14.969 -6.034 8.523 1.00 0.82 H new ATOM 0 HE ARG A 42 12.093 -6.034 8.341 1.00 1.50 H new ATOM 0 HH11 ARG A 42 14.755 -4.657 10.148 1.00 1.83 H new ATOM 0 HH12 ARG A 42 13.735 -4.182 11.509 1.00 1.83 H new ATOM 0 HH21 ARG A 42 10.798 -5.378 10.053 1.00 2.91 H new ATOM 0 HH22 ARG A 42 11.521 -4.586 11.457 1.00 2.91 H new ATOM 682 N PHE A 43 13.183 -1.420 4.397 1.00 0.22 N ATOM 683 CA PHE A 43 12.256 -0.596 3.572 1.00 0.24 C ATOM 684 C PHE A 43 12.089 -1.222 2.183 1.00 0.23 C ATOM 685 O PHE A 43 10.987 -1.503 1.750 1.00 0.23 O ATOM 686 CB PHE A 43 12.840 0.815 3.436 1.00 0.28 C ATOM 687 CG PHE A 43 11.762 1.787 3.012 1.00 0.38 C ATOM 688 CD1 PHE A 43 11.412 1.898 1.662 1.00 1.40 C ATOM 689 CD2 PHE A 43 11.121 2.583 3.970 1.00 1.18 C ATOM 690 CE1 PHE A 43 10.421 2.805 1.269 1.00 1.48 C ATOM 691 CE2 PHE A 43 10.129 3.488 3.577 1.00 1.22 C ATOM 692 CZ PHE A 43 9.780 3.599 2.226 1.00 0.70 C ATOM 0 H PHE A 43 13.938 -0.900 4.844 1.00 0.22 H new ATOM 0 HA PHE A 43 11.279 -0.551 4.054 1.00 0.24 H new ATOM 0 HB2 PHE A 43 13.272 1.131 4.386 1.00 0.28 H new ATOM 0 HB3 PHE A 43 13.647 0.813 2.704 1.00 0.28 H new ATOM 0 HD1 PHE A 43 11.906 1.284 0.923 1.00 1.40 H new ATOM 0 HD2 PHE A 43 11.393 2.498 5.012 1.00 1.18 H new ATOM 0 HE1 PHE A 43 10.151 2.892 0.227 1.00 1.48 H new ATOM 0 HE2 PHE A 43 9.633 4.100 4.315 1.00 1.22 H new ATOM 0 HZ PHE A 43 9.015 4.298 1.922 1.00 0.70 H new ATOM 702 N ASN A 44 13.164 -1.443 1.476 1.00 0.24 N ATOM 703 CA ASN A 44 13.046 -2.045 0.118 1.00 0.24 C ATOM 704 C ASN A 44 12.535 -3.482 0.234 1.00 0.22 C ATOM 705 O ASN A 44 11.783 -3.953 -0.596 1.00 0.23 O ATOM 706 CB ASN A 44 14.420 -2.047 -0.558 1.00 0.25 C ATOM 707 CG ASN A 44 15.014 -0.638 -0.508 1.00 0.95 C ATOM 708 OD1 ASN A 44 16.213 -0.475 -0.397 1.00 1.73 O ATOM 709 ND2 ASN A 44 14.221 0.395 -0.585 1.00 1.67 N ATOM 0 H ASN A 44 14.115 -1.234 1.779 1.00 0.24 H new ATOM 0 HA ASN A 44 12.345 -1.459 -0.477 1.00 0.24 H new ATOM 0 HB2 ASN A 44 15.083 -2.751 -0.056 1.00 0.25 H new ATOM 0 HB3 ASN A 44 14.328 -2.378 -1.592 1.00 0.25 H new ATOM 0 HD21 ASN A 44 14.608 1.338 -0.552 1.00 1.67 H new ATOM 0 HD22 ASN A 44 13.214 0.259 -0.678 1.00 1.67 H new ATOM 716 N TYR A 45 12.937 -4.183 1.257 1.00 0.21 N ATOM 717 CA TYR A 45 12.475 -5.590 1.426 1.00 0.20 C ATOM 718 C TYR A 45 10.947 -5.618 1.498 1.00 0.21 C ATOM 719 O TYR A 45 10.313 -6.566 1.076 1.00 0.22 O ATOM 720 CB TYR A 45 13.066 -6.162 2.717 1.00 0.20 C ATOM 721 CG TYR A 45 12.831 -7.657 2.775 1.00 0.21 C ATOM 722 CD1 TYR A 45 13.441 -8.499 1.835 1.00 1.33 C ATOM 723 CD2 TYR A 45 12.008 -8.205 3.771 1.00 1.12 C ATOM 724 CE1 TYR A 45 13.229 -9.882 1.890 1.00 1.43 C ATOM 725 CE2 TYR A 45 11.797 -9.588 3.824 1.00 1.05 C ATOM 726 CZ TYR A 45 12.407 -10.426 2.884 1.00 0.43 C ATOM 727 OH TYR A 45 12.199 -11.789 2.938 1.00 0.57 O ATOM 0 H TYR A 45 13.566 -3.843 1.984 1.00 0.21 H new ATOM 0 HA TYR A 45 12.805 -6.192 0.579 1.00 0.20 H new ATOM 0 HB2 TYR A 45 14.134 -5.951 2.762 1.00 0.20 H new ATOM 0 HB3 TYR A 45 12.609 -5.680 3.581 1.00 0.20 H new ATOM 0 HD1 TYR A 45 14.075 -8.081 1.067 1.00 1.33 H new ATOM 0 HD2 TYR A 45 11.537 -7.559 4.497 1.00 1.12 H new ATOM 0 HE1 TYR A 45 13.700 -10.529 1.165 1.00 1.43 H new ATOM 0 HE2 TYR A 45 11.163 -10.008 4.591 1.00 1.05 H new ATOM 0 HH TYR A 45 11.605 -12.000 3.688 1.00 0.57 H new ATOM 737 N ALA A 46 10.349 -4.585 2.024 1.00 0.22 N ATOM 738 CA ALA A 46 8.862 -4.552 2.119 1.00 0.24 C ATOM 739 C ALA A 46 8.270 -4.243 0.742 1.00 0.25 C ATOM 740 O ALA A 46 7.178 -4.665 0.417 1.00 0.28 O ATOM 741 CB ALA A 46 8.436 -3.466 3.109 1.00 0.26 C ATOM 0 H ALA A 46 10.826 -3.762 2.392 1.00 0.22 H new ATOM 0 HA ALA A 46 8.500 -5.521 2.464 1.00 0.24 H new ATOM 0 HB1 ALA A 46 7.348 -3.443 3.178 1.00 0.26 H new ATOM 0 HB2 ALA A 46 8.857 -3.683 4.091 1.00 0.26 H new ATOM 0 HB3 ALA A 46 8.799 -2.497 2.765 1.00 0.26 H new ATOM 747 N TRP A 47 8.979 -3.504 -0.066 1.00 0.26 N ATOM 748 CA TRP A 47 8.451 -3.163 -1.418 1.00 0.29 C ATOM 749 C TRP A 47 8.374 -4.428 -2.279 1.00 0.29 C ATOM 750 O TRP A 47 7.375 -4.689 -2.920 1.00 0.29 O ATOM 751 CB TRP A 47 9.381 -2.140 -2.078 1.00 0.33 C ATOM 752 CG TRP A 47 8.941 -1.874 -3.485 1.00 0.34 C ATOM 753 CD1 TRP A 47 9.668 -2.162 -4.590 1.00 0.38 C ATOM 754 CD2 TRP A 47 7.701 -1.269 -3.959 1.00 0.35 C ATOM 755 NE1 TRP A 47 8.954 -1.774 -5.710 1.00 0.40 N ATOM 756 CE2 TRP A 47 7.736 -1.219 -5.374 1.00 0.38 C ATOM 757 CE3 TRP A 47 6.560 -0.765 -3.307 1.00 0.36 C ATOM 758 CZ2 TRP A 47 6.679 -0.687 -6.114 1.00 0.42 C ATOM 759 CZ3 TRP A 47 5.495 -0.229 -4.050 1.00 0.42 C ATOM 760 CH2 TRP A 47 5.554 -0.191 -5.450 1.00 0.44 C ATOM 0 H TRP A 47 9.900 -3.122 0.150 1.00 0.26 H new ATOM 0 HA TRP A 47 7.451 -2.739 -1.324 1.00 0.29 H new ATOM 0 HB2 TRP A 47 9.377 -1.212 -1.506 1.00 0.33 H new ATOM 0 HB3 TRP A 47 10.405 -2.513 -2.074 1.00 0.33 H new ATOM 0 HD1 TRP A 47 10.646 -2.620 -4.596 1.00 0.38 H new ATOM 0 HE1 TRP A 47 9.287 -1.885 -6.668 1.00 0.40 H new ATOM 0 HE3 TRP A 47 6.503 -0.790 -2.229 1.00 0.36 H new ATOM 0 HZ2 TRP A 47 6.730 -0.659 -7.192 1.00 0.42 H new ATOM 0 HZ3 TRP A 47 4.625 0.156 -3.539 1.00 0.42 H new ATOM 0 HH2 TRP A 47 4.731 0.221 -6.015 1.00 0.44 H new ATOM 771 N GLY A 48 9.422 -5.209 -2.322 1.00 0.29 N ATOM 772 CA GLY A 48 9.397 -6.438 -3.164 1.00 0.30 C ATOM 773 C GLY A 48 8.302 -7.383 -2.679 1.00 0.27 C ATOM 774 O GLY A 48 7.626 -8.019 -3.463 1.00 0.29 O ATOM 0 H GLY A 48 10.290 -5.048 -1.812 1.00 0.29 H new ATOM 0 HA2 GLY A 48 9.222 -6.171 -4.206 1.00 0.30 H new ATOM 0 HA3 GLY A 48 10.365 -6.938 -3.121 1.00 0.30 H new ATOM 778 N LEU A 49 8.120 -7.486 -1.394 1.00 0.25 N ATOM 779 CA LEU A 49 7.069 -8.395 -0.866 1.00 0.24 C ATOM 780 C LEU A 49 5.693 -7.920 -1.338 1.00 0.24 C ATOM 781 O LEU A 49 4.778 -8.703 -1.493 1.00 0.29 O ATOM 782 CB LEU A 49 7.119 -8.389 0.666 1.00 0.23 C ATOM 783 CG LEU A 49 8.419 -9.052 1.152 1.00 0.23 C ATOM 784 CD1 LEU A 49 8.614 -8.758 2.648 1.00 0.24 C ATOM 785 CD2 LEU A 49 8.362 -10.578 0.929 1.00 0.26 C ATOM 0 H LEU A 49 8.653 -6.980 -0.687 1.00 0.25 H new ATOM 0 HA LEU A 49 7.243 -9.406 -1.233 1.00 0.24 H new ATOM 0 HB2 LEU A 49 7.063 -7.365 1.036 1.00 0.23 H new ATOM 0 HB3 LEU A 49 6.257 -8.921 1.068 1.00 0.23 H new ATOM 0 HG LEU A 49 9.256 -8.646 0.584 1.00 0.23 H new ATOM 0 HD11 LEU A 49 9.535 -9.227 2.994 1.00 0.24 H new ATOM 0 HD12 LEU A 49 8.676 -7.681 2.802 1.00 0.24 H new ATOM 0 HD13 LEU A 49 7.770 -9.157 3.210 1.00 0.24 H new ATOM 0 HD21 LEU A 49 9.290 -11.032 1.278 1.00 0.26 H new ATOM 0 HD22 LEU A 49 7.522 -10.996 1.484 1.00 0.26 H new ATOM 0 HD23 LEU A 49 8.234 -10.786 -0.133 1.00 0.26 H new ATOM 797 N ILE A 50 5.537 -6.643 -1.567 1.00 0.24 N ATOM 798 CA ILE A 50 4.215 -6.129 -2.026 1.00 0.26 C ATOM 799 C ILE A 50 4.037 -6.396 -3.524 1.00 0.27 C ATOM 800 O ILE A 50 2.932 -6.585 -3.993 1.00 0.29 O ATOM 801 CB ILE A 50 4.120 -4.624 -1.746 1.00 0.28 C ATOM 802 CG1 ILE A 50 4.051 -4.402 -0.232 1.00 0.32 C ATOM 803 CG2 ILE A 50 2.858 -4.049 -2.401 1.00 0.32 C ATOM 804 CD1 ILE A 50 4.239 -2.918 0.087 1.00 0.73 C ATOM 0 H ILE A 50 6.265 -5.937 -1.456 1.00 0.24 H new ATOM 0 HA ILE A 50 3.424 -6.645 -1.482 1.00 0.26 H new ATOM 0 HB ILE A 50 4.996 -4.123 -2.158 1.00 0.28 H new ATOM 0 HG12 ILE A 50 3.090 -4.746 0.151 1.00 0.32 H new ATOM 0 HG13 ILE A 50 4.822 -4.990 0.266 1.00 0.32 H new ATOM 0 HG21 ILE A 50 2.797 -2.980 -2.198 1.00 0.32 H new ATOM 0 HG22 ILE A 50 2.901 -4.212 -3.478 1.00 0.32 H new ATOM 0 HG23 ILE A 50 1.978 -4.546 -1.993 1.00 0.32 H new ATOM 0 HD11 ILE A 50 4.189 -2.768 1.166 1.00 0.73 H new ATOM 0 HD12 ILE A 50 5.210 -2.587 -0.280 1.00 0.73 H new ATOM 0 HD13 ILE A 50 3.452 -2.339 -0.397 1.00 0.73 H new ATOM 816 N LYS A 51 5.097 -6.416 -4.290 1.00 0.28 N ATOM 817 CA LYS A 51 4.949 -6.672 -5.752 1.00 0.31 C ATOM 818 C LYS A 51 4.633 -8.147 -5.987 1.00 0.31 C ATOM 819 O LYS A 51 4.305 -8.554 -7.084 1.00 0.36 O ATOM 820 CB LYS A 51 6.268 -6.317 -6.456 1.00 0.37 C ATOM 821 CG LYS A 51 6.610 -4.814 -6.241 1.00 0.72 C ATOM 822 CD LYS A 51 6.632 -4.059 -7.580 1.00 0.79 C ATOM 823 CE LYS A 51 7.928 -4.374 -8.333 1.00 0.87 C ATOM 824 NZ LYS A 51 7.958 -3.607 -9.610 1.00 1.58 N ATOM 0 H LYS A 51 6.053 -6.267 -3.968 1.00 0.28 H new ATOM 0 HA LYS A 51 4.138 -6.063 -6.150 1.00 0.31 H new ATOM 0 HB2 LYS A 51 7.074 -6.939 -6.067 1.00 0.37 H new ATOM 0 HB3 LYS A 51 6.187 -6.529 -7.522 1.00 0.37 H new ATOM 0 HG2 LYS A 51 5.875 -4.361 -5.576 1.00 0.72 H new ATOM 0 HG3 LYS A 51 7.580 -4.724 -5.752 1.00 0.72 H new ATOM 0 HD2 LYS A 51 5.771 -4.346 -8.184 1.00 0.79 H new ATOM 0 HD3 LYS A 51 6.555 -2.986 -7.404 1.00 0.79 H new ATOM 0 HE2 LYS A 51 8.790 -4.114 -7.719 1.00 0.87 H new ATOM 0 HE3 LYS A 51 7.993 -5.443 -8.536 1.00 0.87 H new ATOM 0 HZ1 LYS A 51 8.100 -4.262 -10.405 1.00 1.58 H new ATOM 0 HZ2 LYS A 51 7.057 -3.103 -9.733 1.00 1.58 H new ATOM 0 HZ3 LYS A 51 8.738 -2.920 -9.584 1.00 1.58 H new ATOM 838 N SER A 52 4.731 -8.954 -4.969 1.00 0.32 N ATOM 839 CA SER A 52 4.438 -10.403 -5.139 1.00 0.34 C ATOM 840 C SER A 52 2.956 -10.589 -5.478 1.00 0.35 C ATOM 841 O SER A 52 2.137 -9.728 -5.225 1.00 0.36 O ATOM 842 CB SER A 52 4.761 -11.142 -3.842 1.00 0.36 C ATOM 843 OG SER A 52 4.764 -12.542 -4.087 1.00 1.14 O ATOM 0 H SER A 52 5.001 -8.673 -4.027 1.00 0.32 H new ATOM 0 HA SER A 52 5.048 -10.805 -5.948 1.00 0.34 H new ATOM 0 HB2 SER A 52 5.732 -10.826 -3.462 1.00 0.36 H new ATOM 0 HB3 SER A 52 4.024 -10.897 -3.077 1.00 0.36 H new ATOM 0 HG SER A 52 3.857 -12.896 -3.974 1.00 1.14 H new ATOM 849 N THR A 53 2.611 -11.706 -6.059 1.00 0.38 N ATOM 850 CA THR A 53 1.185 -11.953 -6.429 1.00 0.41 C ATOM 851 C THR A 53 0.425 -12.537 -5.234 1.00 0.40 C ATOM 852 O THR A 53 -0.749 -12.285 -5.054 1.00 0.52 O ATOM 853 CB THR A 53 1.130 -12.940 -7.596 1.00 0.46 C ATOM 854 OG1 THR A 53 1.807 -14.135 -7.235 1.00 0.51 O ATOM 855 CG2 THR A 53 1.803 -12.320 -8.822 1.00 0.49 C ATOM 0 H THR A 53 3.256 -12.461 -6.294 1.00 0.38 H new ATOM 0 HA THR A 53 0.722 -11.010 -6.719 1.00 0.41 H new ATOM 0 HB THR A 53 0.091 -13.168 -7.832 1.00 0.46 H new ATOM 0 HG1 THR A 53 1.771 -14.769 -7.981 1.00 0.51 H new ATOM 0 HG21 THR A 53 1.764 -13.024 -9.653 1.00 0.49 H new ATOM 0 HG22 THR A 53 1.283 -11.403 -9.098 1.00 0.49 H new ATOM 0 HG23 THR A 53 2.843 -12.091 -8.589 1.00 0.49 H new ATOM 863 N ASP A 54 1.079 -13.320 -4.418 1.00 0.39 N ATOM 864 CA ASP A 54 0.378 -13.918 -3.244 1.00 0.38 C ATOM 865 C ASP A 54 0.142 -12.848 -2.173 1.00 0.37 C ATOM 866 O ASP A 54 0.883 -11.895 -2.038 1.00 0.36 O ATOM 867 CB ASP A 54 1.204 -15.070 -2.668 1.00 0.38 C ATOM 868 CG ASP A 54 2.568 -14.540 -2.216 1.00 1.31 C ATOM 869 OD1 ASP A 54 2.937 -13.462 -2.652 1.00 1.86 O ATOM 870 OD2 ASP A 54 3.220 -15.221 -1.442 1.00 2.18 O ATOM 0 H ASP A 54 2.063 -13.571 -4.512 1.00 0.39 H new ATOM 0 HA ASP A 54 -0.586 -14.308 -3.570 1.00 0.38 H new ATOM 0 HB2 ASP A 54 0.680 -15.523 -1.826 1.00 0.38 H new ATOM 0 HB3 ASP A 54 1.335 -15.850 -3.419 1.00 0.38 H new ATOM 875 N VAL A 55 -0.909 -13.025 -1.414 1.00 0.37 N ATOM 876 CA VAL A 55 -1.265 -12.060 -0.333 1.00 0.37 C ATOM 877 C VAL A 55 -0.408 -12.315 0.911 1.00 0.35 C ATOM 878 O VAL A 55 -0.275 -11.469 1.773 1.00 0.35 O ATOM 879 CB VAL A 55 -2.747 -12.228 0.017 1.00 0.39 C ATOM 880 CG1 VAL A 55 -2.969 -13.554 0.751 1.00 0.42 C ATOM 881 CG2 VAL A 55 -3.195 -11.068 0.909 1.00 0.40 C ATOM 0 H VAL A 55 -1.548 -13.815 -1.501 1.00 0.37 H new ATOM 0 HA VAL A 55 -1.079 -11.044 -0.681 1.00 0.37 H new ATOM 0 HB VAL A 55 -3.332 -12.230 -0.903 1.00 0.39 H new ATOM 0 HG11 VAL A 55 -4.026 -13.662 0.995 1.00 0.42 H new ATOM 0 HG12 VAL A 55 -2.657 -14.380 0.112 1.00 0.42 H new ATOM 0 HG13 VAL A 55 -2.382 -13.564 1.669 1.00 0.42 H new ATOM 0 HG21 VAL A 55 -4.249 -11.187 1.158 1.00 0.40 H new ATOM 0 HG22 VAL A 55 -2.604 -11.064 1.825 1.00 0.40 H new ATOM 0 HG23 VAL A 55 -3.051 -10.126 0.380 1.00 0.40 H new ATOM 891 N ASN A 56 0.185 -13.467 0.996 1.00 0.34 N ATOM 892 CA ASN A 56 1.047 -13.786 2.171 1.00 0.34 C ATOM 893 C ASN A 56 2.166 -12.746 2.296 1.00 0.31 C ATOM 894 O ASN A 56 2.399 -12.186 3.352 1.00 0.31 O ATOM 895 CB ASN A 56 1.667 -15.170 1.972 1.00 0.36 C ATOM 896 CG ASN A 56 0.575 -16.164 1.570 1.00 1.34 C ATOM 897 OD1 ASN A 56 -0.504 -16.157 2.130 1.00 2.14 O ATOM 898 ND2 ASN A 56 0.810 -17.023 0.617 1.00 2.11 N ATOM 0 H ASN A 56 0.112 -14.209 0.300 1.00 0.34 H new ATOM 0 HA ASN A 56 0.442 -13.772 3.078 1.00 0.34 H new ATOM 0 HB2 ASN A 56 2.437 -15.128 1.202 1.00 0.36 H new ATOM 0 HB3 ASN A 56 2.153 -15.498 2.891 1.00 0.36 H new ATOM 0 HD21 ASN A 56 0.088 -17.689 0.341 1.00 2.11 H new ATOM 0 HD22 ASN A 56 1.715 -17.029 0.147 1.00 2.11 H new ATOM 905 N ASP A 57 2.868 -12.495 1.228 1.00 0.30 N ATOM 906 CA ASP A 57 3.986 -11.511 1.270 1.00 0.30 C ATOM 907 C ASP A 57 3.449 -10.092 1.504 1.00 0.29 C ATOM 908 O ASP A 57 4.106 -9.266 2.106 1.00 0.28 O ATOM 909 CB ASP A 57 4.730 -11.563 -0.064 1.00 0.33 C ATOM 910 CG ASP A 57 5.523 -12.869 -0.158 1.00 0.42 C ATOM 911 OD1 ASP A 57 5.022 -13.879 0.308 1.00 1.23 O ATOM 912 OD2 ASP A 57 6.617 -12.836 -0.696 1.00 1.09 O ATOM 0 H ASP A 57 2.715 -12.933 0.320 1.00 0.30 H new ATOM 0 HA ASP A 57 4.658 -11.763 2.090 1.00 0.30 H new ATOM 0 HB2 ASP A 57 4.022 -11.495 -0.890 1.00 0.33 H new ATOM 0 HB3 ASP A 57 5.403 -10.710 -0.150 1.00 0.33 H new ATOM 917 N GLU A 58 2.271 -9.795 1.026 1.00 0.33 N ATOM 918 CA GLU A 58 1.714 -8.422 1.219 1.00 0.36 C ATOM 919 C GLU A 58 1.461 -8.172 2.710 1.00 0.34 C ATOM 920 O GLU A 58 1.765 -7.118 3.231 1.00 0.34 O ATOM 921 CB GLU A 58 0.386 -8.292 0.443 1.00 0.42 C ATOM 922 CG GLU A 58 0.629 -7.718 -0.959 1.00 0.92 C ATOM 923 CD GLU A 58 1.439 -8.708 -1.798 1.00 1.66 C ATOM 924 OE1 GLU A 58 1.708 -9.792 -1.309 1.00 2.45 O ATOM 925 OE2 GLU A 58 1.774 -8.366 -2.920 1.00 2.21 O ATOM 0 H GLU A 58 1.671 -10.440 0.512 1.00 0.33 H new ATOM 0 HA GLU A 58 2.428 -7.687 0.846 1.00 0.36 H new ATOM 0 HB2 GLU A 58 -0.091 -9.269 0.363 1.00 0.42 H new ATOM 0 HB3 GLU A 58 -0.299 -7.646 0.992 1.00 0.42 H new ATOM 0 HG2 GLU A 58 -0.324 -7.511 -1.446 1.00 0.92 H new ATOM 0 HG3 GLU A 58 1.162 -6.770 -0.885 1.00 0.92 H new ATOM 932 N ARG A 59 0.907 -9.130 3.397 1.00 0.33 N ATOM 933 CA ARG A 59 0.638 -8.937 4.848 1.00 0.34 C ATOM 934 C ARG A 59 1.966 -8.782 5.589 1.00 0.30 C ATOM 935 O ARG A 59 2.040 -8.148 6.623 1.00 0.31 O ATOM 936 CB ARG A 59 -0.124 -10.148 5.398 1.00 0.40 C ATOM 937 CG ARG A 59 -1.598 -10.068 4.981 1.00 0.68 C ATOM 938 CD ARG A 59 -2.378 -11.249 5.583 1.00 0.95 C ATOM 939 NE ARG A 59 -3.527 -11.604 4.689 1.00 1.62 N ATOM 940 CZ ARG A 59 -4.365 -10.693 4.269 1.00 2.13 C ATOM 941 NH1 ARG A 59 -4.334 -9.486 4.763 1.00 2.23 N ATOM 942 NH2 ARG A 59 -5.278 -11.009 3.391 1.00 3.12 N ATOM 0 H ARG A 59 0.630 -10.036 3.018 1.00 0.33 H new ATOM 0 HA ARG A 59 0.033 -8.041 4.992 1.00 0.34 H new ATOM 0 HB2 ARG A 59 0.320 -11.070 5.022 1.00 0.40 H new ATOM 0 HB3 ARG A 59 -0.045 -10.176 6.485 1.00 0.40 H new ATOM 0 HG2 ARG A 59 -2.030 -9.126 5.319 1.00 0.68 H new ATOM 0 HG3 ARG A 59 -1.679 -10.084 3.894 1.00 0.68 H new ATOM 0 HD2 ARG A 59 -1.719 -12.109 5.703 1.00 0.95 H new ATOM 0 HD3 ARG A 59 -2.744 -10.987 6.576 1.00 0.95 H new ATOM 0 HE ARG A 59 -3.658 -12.574 4.403 1.00 1.62 H new ATOM 0 HH11 ARG A 59 -3.652 -9.247 5.483 1.00 2.23 H new ATOM 0 HH12 ARG A 59 -4.992 -8.781 4.429 1.00 2.23 H new ATOM 0 HH21 ARG A 59 -5.335 -11.963 3.036 1.00 3.12 H new ATOM 0 HH22 ARG A 59 -5.934 -10.301 3.060 1.00 3.12 H new ATOM 956 N LEU A 60 3.021 -9.342 5.062 1.00 0.28 N ATOM 957 CA LEU A 60 4.343 -9.209 5.737 1.00 0.27 C ATOM 958 C LEU A 60 4.904 -7.809 5.466 1.00 0.25 C ATOM 959 O LEU A 60 5.425 -7.157 6.349 1.00 0.26 O ATOM 960 CB LEU A 60 5.303 -10.272 5.186 1.00 0.29 C ATOM 961 CG LEU A 60 6.702 -10.110 5.802 1.00 0.30 C ATOM 962 CD1 LEU A 60 6.621 -10.168 7.337 1.00 0.32 C ATOM 963 CD2 LEU A 60 7.601 -11.242 5.293 1.00 0.34 C ATOM 0 H LEU A 60 3.025 -9.883 4.197 1.00 0.28 H new ATOM 0 HA LEU A 60 4.229 -9.352 6.812 1.00 0.27 H new ATOM 0 HB2 LEU A 60 4.916 -11.267 5.405 1.00 0.29 H new ATOM 0 HB3 LEU A 60 5.365 -10.186 4.101 1.00 0.29 H new ATOM 0 HG LEU A 60 7.114 -9.144 5.512 1.00 0.30 H new ATOM 0 HD11 LEU A 60 7.619 -10.052 7.759 1.00 0.32 H new ATOM 0 HD12 LEU A 60 5.979 -9.365 7.698 1.00 0.32 H new ATOM 0 HD13 LEU A 60 6.207 -11.129 7.643 1.00 0.32 H new ATOM 0 HD21 LEU A 60 8.597 -11.137 5.724 1.00 0.34 H new ATOM 0 HD22 LEU A 60 7.178 -12.203 5.587 1.00 0.34 H new ATOM 0 HD23 LEU A 60 7.669 -11.192 4.206 1.00 0.34 H new ATOM 975 N GLY A 61 4.802 -7.345 4.249 1.00 0.22 N ATOM 976 CA GLY A 61 5.330 -5.990 3.918 1.00 0.21 C ATOM 977 C GLY A 61 4.561 -4.926 4.705 1.00 0.20 C ATOM 978 O GLY A 61 5.137 -3.994 5.231 1.00 0.21 O ATOM 0 H GLY A 61 4.376 -7.846 3.470 1.00 0.22 H new ATOM 0 HA2 GLY A 61 6.392 -5.935 4.157 1.00 0.21 H new ATOM 0 HA3 GLY A 61 5.234 -5.804 2.848 1.00 0.21 H new ATOM 982 N VAL A 62 3.265 -5.054 4.790 1.00 0.20 N ATOM 983 CA VAL A 62 2.467 -4.046 5.544 1.00 0.21 C ATOM 984 C VAL A 62 3.005 -3.956 6.977 1.00 0.22 C ATOM 985 O VAL A 62 3.232 -2.883 7.500 1.00 0.25 O ATOM 986 CB VAL A 62 0.981 -4.475 5.546 1.00 0.23 C ATOM 987 CG1 VAL A 62 0.264 -3.969 6.811 1.00 0.28 C ATOM 988 CG2 VAL A 62 0.281 -3.904 4.304 1.00 0.31 C ATOM 0 H VAL A 62 2.725 -5.811 4.371 1.00 0.20 H new ATOM 0 HA VAL A 62 2.549 -3.066 5.073 1.00 0.21 H new ATOM 0 HB VAL A 62 0.937 -5.564 5.533 1.00 0.23 H new ATOM 0 HG11 VAL A 62 -0.779 -4.284 6.788 1.00 0.28 H new ATOM 0 HG12 VAL A 62 0.749 -4.384 7.695 1.00 0.28 H new ATOM 0 HG13 VAL A 62 0.314 -2.881 6.847 1.00 0.28 H new ATOM 0 HG21 VAL A 62 -0.766 -4.206 4.305 1.00 0.31 H new ATOM 0 HG22 VAL A 62 0.345 -2.816 4.318 1.00 0.31 H new ATOM 0 HG23 VAL A 62 0.767 -4.284 3.405 1.00 0.31 H new ATOM 998 N LYS A 63 3.197 -5.074 7.616 1.00 0.24 N ATOM 999 CA LYS A 63 3.705 -5.054 9.013 1.00 0.28 C ATOM 1000 C LYS A 63 5.057 -4.333 9.060 1.00 0.26 C ATOM 1001 O LYS A 63 5.283 -3.477 9.892 1.00 0.29 O ATOM 1002 CB LYS A 63 3.858 -6.499 9.503 1.00 0.33 C ATOM 1003 CG LYS A 63 4.716 -6.541 10.774 1.00 0.47 C ATOM 1004 CD LYS A 63 4.554 -7.891 11.472 1.00 0.58 C ATOM 1005 CE LYS A 63 4.945 -9.024 10.519 1.00 1.60 C ATOM 1006 NZ LYS A 63 5.148 -10.278 11.299 1.00 2.36 N ATOM 0 H LYS A 63 3.024 -6.002 7.230 1.00 0.24 H new ATOM 0 HA LYS A 63 3.005 -4.523 9.658 1.00 0.28 H new ATOM 0 HB2 LYS A 63 2.876 -6.928 9.704 1.00 0.33 H new ATOM 0 HB3 LYS A 63 4.318 -7.108 8.725 1.00 0.33 H new ATOM 0 HG2 LYS A 63 5.763 -6.377 10.521 1.00 0.47 H new ATOM 0 HG3 LYS A 63 4.421 -5.737 11.448 1.00 0.47 H new ATOM 0 HD2 LYS A 63 5.178 -7.925 12.365 1.00 0.58 H new ATOM 0 HD3 LYS A 63 3.522 -8.019 11.799 1.00 0.58 H new ATOM 0 HE2 LYS A 63 4.166 -9.170 9.771 1.00 1.60 H new ATOM 0 HE3 LYS A 63 5.858 -8.764 9.983 1.00 1.60 H new ATOM 0 HZ1 LYS A 63 5.414 -11.049 10.654 1.00 2.36 H new ATOM 0 HZ2 LYS A 63 5.906 -10.134 11.997 1.00 2.36 H new ATOM 0 HZ3 LYS A 63 4.267 -10.527 11.791 1.00 2.36 H new ATOM 1020 N ILE A 64 5.958 -4.674 8.182 1.00 0.25 N ATOM 1021 CA ILE A 64 7.288 -4.008 8.192 1.00 0.25 C ATOM 1022 C ILE A 64 7.096 -2.496 8.028 1.00 0.22 C ATOM 1023 O ILE A 64 7.641 -1.705 8.773 1.00 0.22 O ATOM 1024 CB ILE A 64 8.138 -4.562 7.038 1.00 0.28 C ATOM 1025 CG1 ILE A 64 8.593 -5.983 7.383 1.00 0.33 C ATOM 1026 CG2 ILE A 64 9.370 -3.678 6.816 1.00 0.32 C ATOM 1027 CD1 ILE A 64 9.144 -6.666 6.129 1.00 0.35 C ATOM 0 H ILE A 64 5.831 -5.383 7.460 1.00 0.25 H new ATOM 0 HA ILE A 64 7.797 -4.202 9.136 1.00 0.25 H new ATOM 0 HB ILE A 64 7.538 -4.572 6.128 1.00 0.28 H new ATOM 0 HG12 ILE A 64 9.359 -5.952 8.158 1.00 0.33 H new ATOM 0 HG13 ILE A 64 7.757 -6.556 7.783 1.00 0.33 H new ATOM 0 HG21 ILE A 64 9.964 -4.081 5.996 1.00 0.32 H new ATOM 0 HG22 ILE A 64 9.051 -2.665 6.570 1.00 0.32 H new ATOM 0 HG23 ILE A 64 9.972 -3.658 7.724 1.00 0.32 H new ATOM 0 HD11 ILE A 64 9.467 -7.677 6.377 1.00 0.35 H new ATOM 0 HD12 ILE A 64 8.366 -6.711 5.367 1.00 0.35 H new ATOM 0 HD13 ILE A 64 9.992 -6.097 5.748 1.00 0.35 H new ATOM 1039 N LEU A 65 6.326 -2.093 7.057 1.00 0.20 N ATOM 1040 CA LEU A 65 6.095 -0.638 6.835 1.00 0.19 C ATOM 1041 C LEU A 65 5.498 -0.003 8.093 1.00 0.19 C ATOM 1042 O LEU A 65 5.728 1.156 8.378 1.00 0.20 O ATOM 1043 CB LEU A 65 5.126 -0.444 5.662 1.00 0.22 C ATOM 1044 CG LEU A 65 5.825 -0.792 4.333 1.00 0.29 C ATOM 1045 CD1 LEU A 65 4.773 -1.115 3.270 1.00 0.69 C ATOM 1046 CD2 LEU A 65 6.675 0.393 3.846 1.00 0.42 C ATOM 0 H LEU A 65 5.844 -2.711 6.404 1.00 0.20 H new ATOM 0 HA LEU A 65 7.048 -0.160 6.608 1.00 0.19 H new ATOM 0 HB2 LEU A 65 4.249 -1.077 5.797 1.00 0.22 H new ATOM 0 HB3 LEU A 65 4.774 0.587 5.638 1.00 0.22 H new ATOM 0 HG LEU A 65 6.471 -1.655 4.497 1.00 0.29 H new ATOM 0 HD11 LEU A 65 5.268 -1.361 2.331 1.00 0.69 H new ATOM 0 HD12 LEU A 65 4.174 -1.965 3.597 1.00 0.69 H new ATOM 0 HD13 LEU A 65 4.126 -0.250 3.123 1.00 0.69 H new ATOM 0 HD21 LEU A 65 7.161 0.130 2.907 1.00 0.42 H new ATOM 0 HD22 LEU A 65 6.034 1.261 3.692 1.00 0.42 H new ATOM 0 HD23 LEU A 65 7.433 0.629 4.593 1.00 0.42 H new ATOM 1058 N THR A 66 4.752 -0.749 8.864 1.00 0.21 N ATOM 1059 CA THR A 66 4.164 -0.183 10.108 1.00 0.25 C ATOM 1060 C THR A 66 5.221 -0.189 11.217 1.00 0.28 C ATOM 1061 O THR A 66 5.197 0.626 12.118 1.00 0.31 O ATOM 1062 CB THR A 66 2.961 -1.045 10.524 1.00 0.29 C ATOM 1063 OG1 THR A 66 2.293 -1.508 9.358 1.00 0.43 O ATOM 1064 CG2 THR A 66 1.994 -0.216 11.366 1.00 0.36 C ATOM 0 H THR A 66 4.526 -1.727 8.684 1.00 0.21 H new ATOM 0 HA THR A 66 3.836 0.842 9.936 1.00 0.25 H new ATOM 0 HB THR A 66 3.311 -1.893 11.112 1.00 0.29 H new ATOM 0 HG1 THR A 66 2.742 -2.312 9.021 1.00 0.43 H new ATOM 0 HG21 THR A 66 1.144 -0.833 11.657 1.00 0.36 H new ATOM 0 HG22 THR A 66 2.505 0.143 12.259 1.00 0.36 H new ATOM 0 HG23 THR A 66 1.642 0.635 10.783 1.00 0.36 H new ATOM 1072 N ASP A 67 6.163 -1.090 11.141 1.00 0.29 N ATOM 1073 CA ASP A 67 7.236 -1.136 12.174 1.00 0.34 C ATOM 1074 C ASP A 67 8.213 0.006 11.903 1.00 0.32 C ATOM 1075 O ASP A 67 8.594 0.742 12.791 1.00 0.35 O ATOM 1076 CB ASP A 67 7.972 -2.475 12.090 1.00 0.40 C ATOM 1077 CG ASP A 67 8.987 -2.576 13.231 1.00 1.30 C ATOM 1078 OD1 ASP A 67 9.095 -1.625 13.987 1.00 2.12 O ATOM 1079 OD2 ASP A 67 9.638 -3.603 13.329 1.00 1.94 O ATOM 0 H ASP A 67 6.235 -1.796 10.408 1.00 0.29 H new ATOM 0 HA ASP A 67 6.805 -1.032 13.170 1.00 0.34 H new ATOM 0 HB2 ASP A 67 7.259 -3.297 12.150 1.00 0.40 H new ATOM 0 HB3 ASP A 67 8.480 -2.563 11.129 1.00 0.40 H new ATOM 1084 N ILE A 68 8.611 0.160 10.671 1.00 0.30 N ATOM 1085 CA ILE A 68 9.554 1.254 10.307 1.00 0.29 C ATOM 1086 C ILE A 68 8.856 2.600 10.522 1.00 0.27 C ATOM 1087 O ILE A 68 9.480 3.601 10.814 1.00 0.31 O ATOM 1088 CB ILE A 68 9.947 1.100 8.832 1.00 0.30 C ATOM 1089 CG1 ILE A 68 10.573 -0.283 8.613 1.00 0.34 C ATOM 1090 CG2 ILE A 68 10.959 2.181 8.449 1.00 0.33 C ATOM 1091 CD1 ILE A 68 10.665 -0.577 7.113 1.00 0.35 C ATOM 0 H ILE A 68 8.320 -0.432 9.893 1.00 0.30 H new ATOM 0 HA ILE A 68 10.449 1.207 10.927 1.00 0.29 H new ATOM 0 HB ILE A 68 9.057 1.203 8.211 1.00 0.30 H new ATOM 0 HG12 ILE A 68 11.566 -0.319 9.062 1.00 0.34 H new ATOM 0 HG13 ILE A 68 9.972 -1.047 9.107 1.00 0.34 H new ATOM 0 HG21 ILE A 68 11.234 2.067 7.401 1.00 0.33 H new ATOM 0 HG22 ILE A 68 10.516 3.165 8.603 1.00 0.33 H new ATOM 0 HG23 ILE A 68 11.849 2.083 9.071 1.00 0.33 H new ATOM 0 HD11 ILE A 68 11.110 -1.560 6.962 1.00 0.35 H new ATOM 0 HD12 ILE A 68 9.666 -0.560 6.677 1.00 0.35 H new ATOM 0 HD13 ILE A 68 11.284 0.180 6.631 1.00 0.35 H new ATOM 1103 N TYR A 69 7.559 2.616 10.393 1.00 0.26 N ATOM 1104 CA TYR A 69 6.801 3.882 10.601 1.00 0.26 C ATOM 1105 C TYR A 69 7.006 4.354 12.044 1.00 0.28 C ATOM 1106 O TYR A 69 7.339 5.495 12.298 1.00 0.34 O ATOM 1107 CB TYR A 69 5.310 3.636 10.350 1.00 0.29 C ATOM 1108 CG TYR A 69 4.520 4.871 10.723 1.00 0.27 C ATOM 1109 CD1 TYR A 69 4.181 5.104 12.062 1.00 1.22 C ATOM 1110 CD2 TYR A 69 4.130 5.783 9.734 1.00 1.25 C ATOM 1111 CE1 TYR A 69 3.452 6.247 12.411 1.00 1.23 C ATOM 1112 CE2 TYR A 69 3.401 6.926 10.084 1.00 1.28 C ATOM 1113 CZ TYR A 69 3.062 7.158 11.422 1.00 0.38 C ATOM 1114 OH TYR A 69 2.343 8.285 11.767 1.00 0.47 O ATOM 0 H TYR A 69 6.989 1.805 10.152 1.00 0.26 H new ATOM 0 HA TYR A 69 7.160 4.643 9.909 1.00 0.26 H new ATOM 0 HB2 TYR A 69 5.144 3.389 9.301 1.00 0.29 H new ATOM 0 HB3 TYR A 69 4.968 2.783 10.936 1.00 0.29 H new ATOM 0 HD1 TYR A 69 4.482 4.402 12.825 1.00 1.22 H new ATOM 0 HD2 TYR A 69 4.392 5.605 8.701 1.00 1.25 H new ATOM 0 HE1 TYR A 69 3.190 6.426 13.443 1.00 1.23 H new ATOM 0 HE2 TYR A 69 3.100 7.629 9.321 1.00 1.28 H new ATOM 0 HH TYR A 69 2.154 8.812 10.962 1.00 0.47 H new ATOM 1124 N LYS A 70 6.801 3.479 12.988 1.00 0.31 N ATOM 1125 CA LYS A 70 6.969 3.854 14.420 1.00 0.38 C ATOM 1126 C LYS A 70 8.451 3.979 14.777 1.00 0.38 C ATOM 1127 O LYS A 70 8.804 4.637 15.736 1.00 0.45 O ATOM 1128 CB LYS A 70 6.342 2.778 15.308 1.00 0.50 C ATOM 1129 CG LYS A 70 4.878 2.575 14.919 1.00 0.79 C ATOM 1130 CD LYS A 70 4.268 1.487 15.803 1.00 0.88 C ATOM 1131 CE LYS A 70 2.799 1.287 15.429 1.00 1.50 C ATOM 1132 NZ LYS A 70 2.254 0.115 16.170 1.00 2.26 N ATOM 0 H LYS A 70 6.522 2.511 12.827 1.00 0.31 H new ATOM 0 HA LYS A 70 6.479 4.814 14.582 1.00 0.38 H new ATOM 0 HB2 LYS A 70 6.889 1.841 15.202 1.00 0.50 H new ATOM 0 HB3 LYS A 70 6.412 3.071 16.355 1.00 0.50 H new ATOM 0 HG2 LYS A 70 4.326 3.507 15.036 1.00 0.79 H new ATOM 0 HG3 LYS A 70 4.804 2.291 13.869 1.00 0.79 H new ATOM 0 HD2 LYS A 70 4.816 0.553 15.678 1.00 0.88 H new ATOM 0 HD3 LYS A 70 4.352 1.768 16.853 1.00 0.88 H new ATOM 0 HE2 LYS A 70 2.226 2.182 15.670 1.00 1.50 H new ATOM 0 HE3 LYS A 70 2.704 1.128 14.355 1.00 1.50 H new ATOM 0 HZ1 LYS A 70 1.255 -0.022 15.916 1.00 2.26 H new ATOM 0 HZ2 LYS A 70 2.795 -0.737 15.919 1.00 2.26 H new ATOM 0 HZ3 LYS A 70 2.331 0.285 17.193 1.00 2.26 H new ATOM 1146 N GLU A 71 9.328 3.353 14.029 1.00 0.40 N ATOM 1147 CA GLU A 71 10.788 3.435 14.351 1.00 0.52 C ATOM 1148 C GLU A 71 11.471 4.470 13.455 1.00 0.55 C ATOM 1149 O GLU A 71 12.583 4.269 13.010 1.00 1.13 O ATOM 1150 CB GLU A 71 11.427 2.069 14.092 1.00 0.63 C ATOM 1151 CG GLU A 71 10.799 1.026 15.018 1.00 0.99 C ATOM 1152 CD GLU A 71 11.222 1.302 16.462 1.00 1.55 C ATOM 1153 OE1 GLU A 71 12.416 1.363 16.707 1.00 2.13 O ATOM 1154 OE2 GLU A 71 10.346 1.447 17.298 1.00 2.27 O ATOM 0 H GLU A 71 9.096 2.790 13.211 1.00 0.40 H new ATOM 0 HA GLU A 71 10.907 3.726 15.394 1.00 0.52 H new ATOM 0 HB2 GLU A 71 11.283 1.780 13.051 1.00 0.63 H new ATOM 0 HB3 GLU A 71 12.502 2.121 14.262 1.00 0.63 H new ATOM 0 HG2 GLU A 71 9.713 1.057 14.934 1.00 0.99 H new ATOM 0 HG3 GLU A 71 11.113 0.025 14.721 1.00 0.99 H new ATOM 1161 N ALA A 72 10.832 5.578 13.193 1.00 0.59 N ATOM 1162 CA ALA A 72 11.496 6.605 12.323 1.00 0.57 C ATOM 1163 C ALA A 72 10.705 7.919 12.275 1.00 0.65 C ATOM 1164 O ALA A 72 9.889 8.115 11.397 1.00 1.23 O ATOM 1165 CB ALA A 72 11.615 6.055 10.898 1.00 0.60 C ATOM 0 H ALA A 72 9.900 5.818 13.532 1.00 0.59 H new ATOM 0 HA ALA A 72 12.478 6.813 12.749 1.00 0.57 H new ATOM 0 HB1 ALA A 72 12.097 6.797 10.261 1.00 0.60 H new ATOM 0 HB2 ALA A 72 12.212 5.143 10.909 1.00 0.60 H new ATOM 0 HB3 ALA A 72 10.621 5.833 10.509 1.00 0.60 H new ATOM 1171 N GLU A 73 10.926 8.817 13.209 1.00 0.71 N ATOM 1172 CA GLU A 73 10.178 10.109 13.198 1.00 0.77 C ATOM 1173 C GLU A 73 10.543 10.896 11.924 1.00 0.65 C ATOM 1174 O GLU A 73 11.072 11.986 11.996 1.00 1.06 O ATOM 1175 CB GLU A 73 10.582 10.923 14.431 1.00 1.08 C ATOM 1176 CG GLU A 73 9.587 12.067 14.644 1.00 1.79 C ATOM 1177 CD GLU A 73 8.261 11.504 15.159 1.00 2.15 C ATOM 1178 OE1 GLU A 73 8.301 10.580 15.955 1.00 2.60 O ATOM 1179 OE2 GLU A 73 7.228 12.008 14.751 1.00 2.62 O ATOM 0 H GLU A 73 11.591 8.708 13.975 1.00 0.71 H new ATOM 0 HA GLU A 73 9.105 9.920 13.213 1.00 0.77 H new ATOM 0 HB2 GLU A 73 10.606 10.280 15.311 1.00 1.08 H new ATOM 0 HB3 GLU A 73 11.588 11.323 14.301 1.00 1.08 H new ATOM 0 HG2 GLU A 73 9.990 12.785 15.358 1.00 1.79 H new ATOM 0 HG3 GLU A 73 9.427 12.603 13.708 1.00 1.79 H new ATOM 1186 N SER A 74 10.275 10.351 10.759 1.00 0.75 N ATOM 1187 CA SER A 74 10.622 11.068 9.492 1.00 0.62 C ATOM 1188 C SER A 74 10.148 10.236 8.289 1.00 0.55 C ATOM 1189 O SER A 74 9.179 10.574 7.639 1.00 0.63 O ATOM 1190 CB SER A 74 12.141 11.270 9.418 1.00 0.82 C ATOM 1191 OG SER A 74 12.496 12.430 10.159 1.00 1.55 O ATOM 0 H SER A 74 9.831 9.441 10.633 1.00 0.75 H new ATOM 0 HA SER A 74 10.130 12.040 9.475 1.00 0.62 H new ATOM 0 HB2 SER A 74 12.656 10.397 9.819 1.00 0.82 H new ATOM 0 HB3 SER A 74 12.455 11.377 8.380 1.00 0.82 H new ATOM 0 HG SER A 74 12.335 12.271 11.113 1.00 1.55 H new ATOM 1197 N ARG A 75 10.833 9.158 7.983 1.00 0.48 N ATOM 1198 CA ARG A 75 10.432 8.302 6.824 1.00 0.45 C ATOM 1199 C ARG A 75 8.914 8.035 6.854 1.00 0.42 C ATOM 1200 O ARG A 75 8.356 7.494 5.920 1.00 0.50 O ATOM 1201 CB ARG A 75 11.203 6.964 6.913 1.00 0.52 C ATOM 1202 CG ARG A 75 11.665 6.505 5.516 1.00 0.81 C ATOM 1203 CD ARG A 75 12.989 7.186 5.156 1.00 1.10 C ATOM 1204 NE ARG A 75 14.031 6.782 6.142 1.00 1.49 N ATOM 1205 CZ ARG A 75 15.293 6.998 5.888 1.00 2.08 C ATOM 1206 NH1 ARG A 75 15.646 7.579 4.774 1.00 2.63 N ATOM 1207 NH2 ARG A 75 16.202 6.634 6.751 1.00 2.72 N ATOM 0 H ARG A 75 11.657 8.835 8.490 1.00 0.48 H new ATOM 0 HA ARG A 75 10.671 8.812 5.891 1.00 0.45 H new ATOM 0 HB2 ARG A 75 12.067 7.080 7.567 1.00 0.52 H new ATOM 0 HB3 ARG A 75 10.566 6.201 7.359 1.00 0.52 H new ATOM 0 HG2 ARG A 75 11.787 5.422 5.501 1.00 0.81 H new ATOM 0 HG3 ARG A 75 10.906 6.750 4.773 1.00 0.81 H new ATOM 0 HD2 ARG A 75 13.295 6.903 4.149 1.00 1.10 H new ATOM 0 HD3 ARG A 75 12.868 8.269 5.160 1.00 1.10 H new ATOM 0 HE ARG A 75 13.757 6.336 7.017 1.00 1.49 H new ATOM 0 HH11 ARG A 75 14.935 7.865 4.100 1.00 2.63 H new ATOM 0 HH12 ARG A 75 16.633 7.747 4.577 1.00 2.63 H new ATOM 0 HH21 ARG A 75 15.926 6.181 7.622 1.00 2.72 H new ATOM 0 HH22 ARG A 75 17.189 6.802 6.554 1.00 2.72 H new ATOM 1221 N ARG A 76 8.247 8.400 7.916 1.00 0.41 N ATOM 1222 CA ARG A 76 6.779 8.157 7.998 1.00 0.47 C ATOM 1223 C ARG A 76 6.095 8.670 6.727 1.00 0.43 C ATOM 1224 O ARG A 76 5.193 8.045 6.205 1.00 0.45 O ATOM 1225 CB ARG A 76 6.209 8.898 9.211 1.00 0.57 C ATOM 1226 CG ARG A 76 6.681 8.218 10.501 1.00 1.08 C ATOM 1227 CD ARG A 76 6.465 9.161 11.687 1.00 1.14 C ATOM 1228 NE ARG A 76 5.052 9.636 11.692 1.00 1.76 N ATOM 1229 CZ ARG A 76 4.562 10.220 12.752 1.00 2.01 C ATOM 1230 NH1 ARG A 76 5.312 10.397 13.805 1.00 1.55 N ATOM 1231 NH2 ARG A 76 3.323 10.630 12.757 1.00 3.05 N ATOM 0 H ARG A 76 8.657 8.857 8.731 1.00 0.41 H new ATOM 0 HA ARG A 76 6.598 7.087 8.099 1.00 0.47 H new ATOM 0 HB2 ARG A 76 6.532 9.939 9.198 1.00 0.57 H new ATOM 0 HB3 ARG A 76 5.120 8.902 9.168 1.00 0.57 H new ATOM 0 HG2 ARG A 76 6.131 7.290 10.657 1.00 1.08 H new ATOM 0 HG3 ARG A 76 7.736 7.954 10.420 1.00 1.08 H new ATOM 0 HD2 ARG A 76 6.690 8.646 12.621 1.00 1.14 H new ATOM 0 HD3 ARG A 76 7.145 10.010 11.619 1.00 1.14 H new ATOM 0 HE ARG A 76 4.467 9.505 10.867 1.00 1.76 H new ATOM 0 HH11 ARG A 76 6.281 10.079 13.800 1.00 1.55 H new ATOM 0 HH12 ARG A 76 4.929 10.853 14.633 1.00 1.55 H new ATOM 0 HH21 ARG A 76 2.738 10.494 11.933 1.00 3.05 H new ATOM 0 HH22 ARG A 76 2.940 11.086 13.585 1.00 3.05 H new ATOM 1245 N ARG A 77 6.502 9.807 6.228 1.00 0.40 N ATOM 1246 CA ARG A 77 5.851 10.345 5.000 1.00 0.43 C ATOM 1247 C ARG A 77 5.889 9.288 3.891 1.00 0.39 C ATOM 1248 O ARG A 77 4.899 9.046 3.227 1.00 0.39 O ATOM 1249 CB ARG A 77 6.558 11.632 4.542 1.00 0.48 C ATOM 1250 CG ARG A 77 8.064 11.397 4.390 1.00 1.10 C ATOM 1251 CD ARG A 77 8.793 12.743 4.330 1.00 1.24 C ATOM 1252 NE ARG A 77 8.375 13.481 3.105 1.00 1.80 N ATOM 1253 CZ ARG A 77 8.633 14.755 2.989 1.00 2.30 C ATOM 1254 NH1 ARG A 77 9.253 15.386 3.948 1.00 2.43 N ATOM 1255 NH2 ARG A 77 8.271 15.399 1.913 1.00 3.22 N ATOM 0 H ARG A 77 7.251 10.382 6.614 1.00 0.40 H new ATOM 0 HA ARG A 77 4.812 10.586 5.223 1.00 0.43 H new ATOM 0 HB2 ARG A 77 6.139 11.965 3.592 1.00 0.48 H new ATOM 0 HB3 ARG A 77 6.380 12.428 5.265 1.00 0.48 H new ATOM 0 HG2 ARG A 77 8.436 10.808 5.228 1.00 1.10 H new ATOM 0 HG3 ARG A 77 8.263 10.824 3.484 1.00 1.10 H new ATOM 0 HD2 ARG A 77 8.564 13.332 5.218 1.00 1.24 H new ATOM 0 HD3 ARG A 77 9.871 12.584 4.322 1.00 1.24 H new ATOM 0 HE ARG A 77 7.887 12.990 2.356 1.00 1.80 H new ATOM 0 HH11 ARG A 77 9.536 14.884 4.789 1.00 2.43 H new ATOM 0 HH12 ARG A 77 9.454 16.382 3.857 1.00 2.43 H new ATOM 0 HH21 ARG A 77 7.786 14.907 1.163 1.00 3.22 H new ATOM 0 HH22 ARG A 77 8.473 16.395 1.822 1.00 3.22 H new ATOM 1269 N GLU A 78 7.011 8.656 3.672 1.00 0.36 N ATOM 1270 CA GLU A 78 7.080 7.627 2.597 1.00 0.36 C ATOM 1271 C GLU A 78 6.276 6.391 3.002 1.00 0.30 C ATOM 1272 O GLU A 78 5.563 5.820 2.203 1.00 0.32 O ATOM 1273 CB GLU A 78 8.538 7.214 2.367 1.00 0.40 C ATOM 1274 CG GLU A 78 9.412 8.457 2.197 1.00 0.91 C ATOM 1275 CD GLU A 78 10.783 8.049 1.651 1.00 1.56 C ATOM 1276 OE1 GLU A 78 11.505 7.372 2.365 1.00 2.13 O ATOM 1277 OE2 GLU A 78 11.088 8.423 0.531 1.00 2.33 O ATOM 0 H GLU A 78 7.878 8.807 4.188 1.00 0.36 H new ATOM 0 HA GLU A 78 6.665 8.050 1.682 1.00 0.36 H new ATOM 0 HB2 GLU A 78 8.894 6.621 3.210 1.00 0.40 H new ATOM 0 HB3 GLU A 78 8.611 6.584 1.481 1.00 0.40 H new ATOM 0 HG2 GLU A 78 8.933 9.161 1.516 1.00 0.91 H new ATOM 0 HG3 GLU A 78 9.527 8.967 3.154 1.00 0.91 H new ATOM 1284 N CYS A 79 6.371 5.977 4.237 1.00 0.27 N ATOM 1285 CA CYS A 79 5.607 4.775 4.679 1.00 0.25 C ATOM 1286 C CYS A 79 4.110 5.007 4.478 1.00 0.23 C ATOM 1287 O CYS A 79 3.403 4.155 3.978 1.00 0.24 O ATOM 1288 CB CYS A 79 5.890 4.510 6.159 1.00 0.29 C ATOM 1289 SG CYS A 79 7.633 4.069 6.370 1.00 1.19 S ATOM 0 H CYS A 79 6.943 6.418 4.957 1.00 0.27 H new ATOM 0 HA CYS A 79 5.917 3.914 4.087 1.00 0.25 H new ATOM 0 HB2 CYS A 79 5.654 5.395 6.750 1.00 0.29 H new ATOM 0 HB3 CYS A 79 5.253 3.704 6.524 1.00 0.29 H new ATOM 0 HG CYS A 79 8.363 5.143 6.312 1.00 1.19 H new ATOM 1295 N LEU A 80 3.617 6.151 4.864 1.00 0.23 N ATOM 1296 CA LEU A 80 2.165 6.425 4.691 1.00 0.23 C ATOM 1297 C LEU A 80 1.786 6.202 3.224 1.00 0.21 C ATOM 1298 O LEU A 80 0.746 5.652 2.919 1.00 0.21 O ATOM 1299 CB LEU A 80 1.864 7.874 5.096 1.00 0.26 C ATOM 1300 CG LEU A 80 2.020 8.041 6.621 1.00 0.27 C ATOM 1301 CD1 LEU A 80 2.174 9.527 6.961 1.00 0.34 C ATOM 1302 CD2 LEU A 80 0.785 7.493 7.350 1.00 0.42 C ATOM 0 H LEU A 80 4.156 6.905 5.290 1.00 0.23 H new ATOM 0 HA LEU A 80 1.583 5.753 5.322 1.00 0.23 H new ATOM 0 HB2 LEU A 80 2.540 8.553 4.577 1.00 0.26 H new ATOM 0 HB3 LEU A 80 0.851 8.141 4.795 1.00 0.26 H new ATOM 0 HG LEU A 80 2.903 7.488 6.941 1.00 0.27 H new ATOM 0 HD11 LEU A 80 2.284 9.644 8.039 1.00 0.34 H new ATOM 0 HD12 LEU A 80 3.057 9.925 6.461 1.00 0.34 H new ATOM 0 HD13 LEU A 80 1.291 10.070 6.625 1.00 0.34 H new ATOM 0 HD21 LEU A 80 0.912 7.619 8.425 1.00 0.42 H new ATOM 0 HD22 LEU A 80 -0.101 8.036 7.023 1.00 0.42 H new ATOM 0 HD23 LEU A 80 0.667 6.434 7.120 1.00 0.42 H new ATOM 1314 N TYR A 81 2.620 6.625 2.313 1.00 0.22 N ATOM 1315 CA TYR A 81 2.304 6.434 0.868 1.00 0.23 C ATOM 1316 C TYR A 81 2.333 4.941 0.522 1.00 0.22 C ATOM 1317 O TYR A 81 1.414 4.416 -0.075 1.00 0.22 O ATOM 1318 CB TYR A 81 3.339 7.173 0.018 1.00 0.26 C ATOM 1319 CG TYR A 81 2.972 7.049 -1.443 1.00 0.30 C ATOM 1320 CD1 TYR A 81 1.936 7.829 -1.971 1.00 1.26 C ATOM 1321 CD2 TYR A 81 3.666 6.155 -2.270 1.00 1.05 C ATOM 1322 CE1 TYR A 81 1.594 7.716 -3.324 1.00 1.31 C ATOM 1323 CE2 TYR A 81 3.323 6.043 -3.623 1.00 1.04 C ATOM 1324 CZ TYR A 81 2.287 6.823 -4.150 1.00 0.46 C ATOM 1325 OH TYR A 81 1.949 6.712 -5.483 1.00 0.55 O ATOM 0 H TYR A 81 3.505 7.094 2.506 1.00 0.22 H new ATOM 0 HA TYR A 81 1.310 6.831 0.663 1.00 0.23 H new ATOM 0 HB2 TYR A 81 3.379 8.223 0.306 1.00 0.26 H new ATOM 0 HB3 TYR A 81 4.332 6.757 0.191 1.00 0.26 H new ATOM 0 HD1 TYR A 81 1.401 8.518 -1.334 1.00 1.26 H new ATOM 0 HD2 TYR A 81 4.465 5.553 -1.864 1.00 1.05 H new ATOM 0 HE1 TYR A 81 0.795 8.318 -3.731 1.00 1.31 H new ATOM 0 HE2 TYR A 81 3.858 5.354 -4.260 1.00 1.04 H new ATOM 0 HH TYR A 81 2.528 6.049 -5.913 1.00 0.55 H new ATOM 1335 N TYR A 82 3.380 4.252 0.892 1.00 0.23 N ATOM 1336 CA TYR A 82 3.461 2.792 0.579 1.00 0.23 C ATOM 1337 C TYR A 82 2.389 2.019 1.361 1.00 0.22 C ATOM 1338 O TYR A 82 1.932 0.981 0.926 1.00 0.24 O ATOM 1339 CB TYR A 82 4.848 2.257 0.958 1.00 0.25 C ATOM 1340 CG TYR A 82 5.870 2.707 -0.064 1.00 0.25 C ATOM 1341 CD1 TYR A 82 5.882 2.131 -1.339 1.00 1.30 C ATOM 1342 CD2 TYR A 82 6.806 3.695 0.264 1.00 1.13 C ATOM 1343 CE1 TYR A 82 6.828 2.543 -2.286 1.00 1.33 C ATOM 1344 CE2 TYR A 82 7.751 4.110 -0.682 1.00 1.12 C ATOM 1345 CZ TYR A 82 7.762 3.534 -1.957 1.00 0.31 C ATOM 1346 OH TYR A 82 8.694 3.940 -2.891 1.00 0.36 O ATOM 0 H TYR A 82 4.181 4.634 1.396 1.00 0.23 H new ATOM 0 HA TYR A 82 3.293 2.655 -0.489 1.00 0.23 H new ATOM 0 HB2 TYR A 82 5.128 2.617 1.948 1.00 0.25 H new ATOM 0 HB3 TYR A 82 4.826 1.168 1.009 1.00 0.25 H new ATOM 0 HD1 TYR A 82 5.161 1.368 -1.593 1.00 1.30 H new ATOM 0 HD2 TYR A 82 6.799 4.138 1.249 1.00 1.13 H new ATOM 0 HE1 TYR A 82 6.837 2.097 -3.270 1.00 1.33 H new ATOM 0 HE2 TYR A 82 8.471 4.874 -0.428 1.00 1.12 H new ATOM 0 HH TYR A 82 9.266 4.635 -2.502 1.00 0.36 H new ATOM 1356 N LEU A 83 1.969 2.509 2.498 1.00 0.21 N ATOM 1357 CA LEU A 83 0.921 1.784 3.267 1.00 0.20 C ATOM 1358 C LEU A 83 -0.389 1.862 2.493 1.00 0.20 C ATOM 1359 O LEU A 83 -1.131 0.902 2.425 1.00 0.25 O ATOM 1360 CB LEU A 83 0.758 2.424 4.656 1.00 0.20 C ATOM 1361 CG LEU A 83 1.857 1.908 5.612 1.00 0.22 C ATOM 1362 CD1 LEU A 83 2.090 2.928 6.731 1.00 0.24 C ATOM 1363 CD2 LEU A 83 1.430 0.574 6.241 1.00 0.25 C ATOM 0 H LEU A 83 2.305 3.373 2.923 1.00 0.21 H new ATOM 0 HA LEU A 83 1.207 0.741 3.400 1.00 0.20 H new ATOM 0 HB2 LEU A 83 0.817 3.509 4.574 1.00 0.20 H new ATOM 0 HB3 LEU A 83 -0.226 2.188 5.060 1.00 0.20 H new ATOM 0 HG LEU A 83 2.774 1.765 5.041 1.00 0.22 H new ATOM 0 HD11 LEU A 83 2.866 2.560 7.403 1.00 0.24 H new ATOM 0 HD12 LEU A 83 2.405 3.877 6.298 1.00 0.24 H new ATOM 0 HD13 LEU A 83 1.165 3.073 7.289 1.00 0.24 H new ATOM 0 HD21 LEU A 83 2.213 0.221 6.912 1.00 0.25 H new ATOM 0 HD22 LEU A 83 0.507 0.716 6.803 1.00 0.25 H new ATOM 0 HD23 LEU A 83 1.267 -0.163 5.455 1.00 0.25 H new ATOM 1375 N THR A 84 -0.685 2.982 1.889 1.00 0.19 N ATOM 1376 CA THR A 84 -1.944 3.088 1.109 1.00 0.19 C ATOM 1377 C THR A 84 -1.928 2.033 0.005 1.00 0.22 C ATOM 1378 O THR A 84 -2.914 1.371 -0.253 1.00 0.24 O ATOM 1379 CB THR A 84 -2.016 4.487 0.482 1.00 0.20 C ATOM 1380 OG1 THR A 84 -1.789 5.465 1.487 1.00 0.22 O ATOM 1381 CG2 THR A 84 -3.390 4.715 -0.149 1.00 0.18 C ATOM 0 H THR A 84 -0.109 3.824 1.904 1.00 0.19 H new ATOM 0 HA THR A 84 -2.808 2.929 1.754 1.00 0.19 H new ATOM 0 HB THR A 84 -1.254 4.568 -0.293 1.00 0.20 H new ATOM 0 HG1 THR A 84 -0.840 5.468 1.733 1.00 0.22 H new ATOM 0 HG21 THR A 84 -3.427 5.711 -0.590 1.00 0.18 H new ATOM 0 HG22 THR A 84 -3.563 3.968 -0.924 1.00 0.18 H new ATOM 0 HG23 THR A 84 -4.161 4.628 0.617 1.00 0.18 H new ATOM 1389 N ILE A 85 -0.810 1.876 -0.650 1.00 0.23 N ATOM 1390 CA ILE A 85 -0.719 0.868 -1.741 1.00 0.27 C ATOM 1391 C ILE A 85 -0.717 -0.539 -1.143 1.00 0.29 C ATOM 1392 O ILE A 85 -1.462 -1.404 -1.564 1.00 0.31 O ATOM 1393 CB ILE A 85 0.567 1.093 -2.538 1.00 0.29 C ATOM 1394 CG1 ILE A 85 0.490 2.467 -3.219 1.00 0.31 C ATOM 1395 CG2 ILE A 85 0.719 -0.021 -3.587 1.00 0.32 C ATOM 1396 CD1 ILE A 85 1.807 2.778 -3.934 1.00 0.61 C ATOM 0 H ILE A 85 0.045 2.404 -0.475 1.00 0.23 H new ATOM 0 HA ILE A 85 -1.578 0.973 -2.404 1.00 0.27 H new ATOM 0 HB ILE A 85 1.433 1.068 -1.877 1.00 0.29 H new ATOM 0 HG12 ILE A 85 -0.332 2.481 -3.934 1.00 0.31 H new ATOM 0 HG13 ILE A 85 0.280 3.237 -2.477 1.00 0.31 H new ATOM 0 HG21 ILE A 85 1.635 0.138 -4.156 1.00 0.32 H new ATOM 0 HG22 ILE A 85 0.766 -0.988 -3.086 1.00 0.32 H new ATOM 0 HG23 ILE A 85 -0.136 -0.003 -4.263 1.00 0.32 H new ATOM 0 HD11 ILE A 85 1.739 3.755 -4.413 1.00 0.61 H new ATOM 0 HD12 ILE A 85 2.622 2.785 -3.210 1.00 0.61 H new ATOM 0 HD13 ILE A 85 2.000 2.016 -4.690 1.00 0.61 H new ATOM 1408 N GLY A 86 0.108 -0.778 -0.163 1.00 0.30 N ATOM 1409 CA GLY A 86 0.147 -2.130 0.457 1.00 0.33 C ATOM 1410 C GLY A 86 -1.217 -2.442 1.071 1.00 0.33 C ATOM 1411 O GLY A 86 -1.636 -3.581 1.132 1.00 0.39 O ATOM 0 H GLY A 86 0.755 -0.097 0.234 1.00 0.30 H new ATOM 0 HA2 GLY A 86 0.402 -2.879 -0.292 1.00 0.33 H new ATOM 0 HA3 GLY A 86 0.921 -2.169 1.223 1.00 0.33 H new ATOM 1415 N CYS A 87 -1.915 -1.437 1.529 1.00 0.29 N ATOM 1416 CA CYS A 87 -3.248 -1.675 2.141 1.00 0.30 C ATOM 1417 C CYS A 87 -4.291 -1.907 1.042 1.00 0.35 C ATOM 1418 O CYS A 87 -5.163 -2.744 1.169 1.00 0.42 O ATOM 1419 CB CYS A 87 -3.646 -0.455 2.974 1.00 0.29 C ATOM 1420 SG CYS A 87 -2.643 -0.402 4.480 1.00 1.29 S ATOM 0 H CYS A 87 -1.617 -0.462 1.504 1.00 0.29 H new ATOM 0 HA CYS A 87 -3.200 -2.557 2.780 1.00 0.30 H new ATOM 0 HB2 CYS A 87 -3.501 0.457 2.395 1.00 0.29 H new ATOM 0 HB3 CYS A 87 -4.704 -0.505 3.230 1.00 0.29 H new ATOM 0 HG CYS A 87 -1.510 0.184 4.227 1.00 1.29 H new ATOM 1426 N TYR A 88 -4.221 -1.160 -0.029 1.00 0.33 N ATOM 1427 CA TYR A 88 -5.219 -1.323 -1.126 1.00 0.40 C ATOM 1428 C TYR A 88 -5.247 -2.774 -1.619 1.00 0.43 C ATOM 1429 O TYR A 88 -6.269 -3.267 -2.052 1.00 0.52 O ATOM 1430 CB TYR A 88 -4.849 -0.402 -2.290 1.00 0.46 C ATOM 1431 CG TYR A 88 -5.857 -0.570 -3.402 1.00 0.48 C ATOM 1432 CD1 TYR A 88 -7.069 0.130 -3.358 1.00 1.37 C ATOM 1433 CD2 TYR A 88 -5.584 -1.430 -4.473 1.00 1.24 C ATOM 1434 CE1 TYR A 88 -8.007 -0.029 -4.385 1.00 1.37 C ATOM 1435 CE2 TYR A 88 -6.523 -1.588 -5.501 1.00 1.28 C ATOM 1436 CZ TYR A 88 -7.734 -0.888 -5.456 1.00 0.59 C ATOM 1437 OH TYR A 88 -8.660 -1.045 -6.468 1.00 0.66 O ATOM 0 H TYR A 88 -3.514 -0.443 -0.191 1.00 0.33 H new ATOM 0 HA TYR A 88 -6.205 -1.063 -0.742 1.00 0.40 H new ATOM 0 HB2 TYR A 88 -4.829 0.635 -1.956 1.00 0.46 H new ATOM 0 HB3 TYR A 88 -3.849 -0.639 -2.652 1.00 0.46 H new ATOM 0 HD1 TYR A 88 -7.280 0.793 -2.532 1.00 1.37 H new ATOM 0 HD2 TYR A 88 -4.650 -1.971 -4.507 1.00 1.24 H new ATOM 0 HE1 TYR A 88 -8.942 0.511 -4.351 1.00 1.37 H new ATOM 0 HE2 TYR A 88 -6.312 -2.250 -6.328 1.00 1.28 H new ATOM 0 HH TYR A 88 -8.313 -1.675 -7.134 1.00 0.66 H new ATOM 1447 N LYS A 89 -4.141 -3.465 -1.559 1.00 0.43 N ATOM 1448 CA LYS A 89 -4.135 -4.880 -2.033 1.00 0.51 C ATOM 1449 C LYS A 89 -4.867 -5.755 -1.008 1.00 0.36 C ATOM 1450 O LYS A 89 -5.363 -6.818 -1.325 1.00 0.37 O ATOM 1451 CB LYS A 89 -2.682 -5.361 -2.220 1.00 0.70 C ATOM 1452 CG LYS A 89 -2.606 -6.413 -3.347 1.00 1.00 C ATOM 1453 CD LYS A 89 -2.509 -5.722 -4.714 1.00 1.24 C ATOM 1454 CE LYS A 89 -2.364 -6.782 -5.808 1.00 1.56 C ATOM 1455 NZ LYS A 89 -3.473 -7.771 -5.690 1.00 2.05 N ATOM 0 H LYS A 89 -3.250 -3.116 -1.206 1.00 0.43 H new ATOM 0 HA LYS A 89 -4.647 -4.953 -2.993 1.00 0.51 H new ATOM 0 HB2 LYS A 89 -2.040 -4.514 -2.460 1.00 0.70 H new ATOM 0 HB3 LYS A 89 -2.311 -5.789 -1.289 1.00 0.70 H new ATOM 0 HG2 LYS A 89 -1.740 -7.057 -3.195 1.00 1.00 H new ATOM 0 HG3 LYS A 89 -3.488 -7.053 -3.317 1.00 1.00 H new ATOM 0 HD2 LYS A 89 -3.398 -5.118 -4.893 1.00 1.24 H new ATOM 0 HD3 LYS A 89 -1.655 -5.045 -4.732 1.00 1.24 H new ATOM 0 HE2 LYS A 89 -2.385 -6.311 -6.791 1.00 1.56 H new ATOM 0 HE3 LYS A 89 -1.402 -7.286 -5.716 1.00 1.56 H new ATOM 0 HZ1 LYS A 89 -3.563 -8.300 -6.581 1.00 2.05 H new ATOM 0 HZ2 LYS A 89 -3.267 -8.432 -4.914 1.00 2.05 H new ATOM 0 HZ3 LYS A 89 -4.364 -7.272 -5.492 1.00 2.05 H new ATOM 1469 N LEU A 90 -4.956 -5.296 0.213 1.00 0.32 N ATOM 1470 CA LEU A 90 -5.676 -6.066 1.275 1.00 0.47 C ATOM 1471 C LEU A 90 -7.019 -5.386 1.527 1.00 0.56 C ATOM 1472 O LEU A 90 -7.650 -5.593 2.543 1.00 0.89 O ATOM 1473 CB LEU A 90 -4.861 -6.049 2.574 1.00 0.55 C ATOM 1474 CG LEU A 90 -3.416 -6.472 2.301 1.00 0.57 C ATOM 1475 CD1 LEU A 90 -2.617 -6.404 3.606 1.00 0.71 C ATOM 1476 CD2 LEU A 90 -3.387 -7.906 1.757 1.00 0.56 C ATOM 0 H LEU A 90 -4.557 -4.411 0.525 1.00 0.32 H new ATOM 0 HA LEU A 90 -5.817 -7.098 0.954 1.00 0.47 H new ATOM 0 HB2 LEU A 90 -4.878 -5.050 3.009 1.00 0.55 H new ATOM 0 HB3 LEU A 90 -5.312 -6.722 3.303 1.00 0.55 H new ATOM 0 HG LEU A 90 -2.975 -5.802 1.563 1.00 0.57 H new ATOM 0 HD11 LEU A 90 -1.586 -6.704 3.418 1.00 0.71 H new ATOM 0 HD12 LEU A 90 -2.633 -5.384 3.990 1.00 0.71 H new ATOM 0 HD13 LEU A 90 -3.062 -7.075 4.341 1.00 0.71 H new ATOM 0 HD21 LEU A 90 -2.356 -8.201 1.565 1.00 0.56 H new ATOM 0 HD22 LEU A 90 -3.827 -8.582 2.490 1.00 0.56 H new ATOM 0 HD23 LEU A 90 -3.957 -7.955 0.829 1.00 0.56 H new ATOM 1488 N GLY A 91 -7.448 -4.558 0.612 1.00 0.56 N ATOM 1489 CA GLY A 91 -8.731 -3.817 0.775 1.00 0.91 C ATOM 1490 C GLY A 91 -8.953 -3.358 2.213 1.00 0.69 C ATOM 1491 O GLY A 91 -10.072 -3.116 2.621 1.00 0.69 O ATOM 0 H GLY A 91 -6.953 -4.361 -0.258 1.00 0.56 H new ATOM 0 HA2 GLY A 91 -8.734 -2.950 0.114 1.00 0.91 H new ATOM 0 HA3 GLY A 91 -9.559 -4.456 0.467 1.00 0.91 H new ATOM 1495 N GLU A 92 -7.912 -3.147 2.961 1.00 0.54 N ATOM 1496 CA GLU A 92 -8.101 -2.604 4.334 1.00 0.42 C ATOM 1497 C GLU A 92 -8.256 -1.092 4.160 1.00 0.34 C ATOM 1498 O GLU A 92 -7.617 -0.303 4.828 1.00 0.39 O ATOM 1499 CB GLU A 92 -6.861 -2.900 5.183 1.00 0.44 C ATOM 1500 CG GLU A 92 -6.813 -4.389 5.530 1.00 0.55 C ATOM 1501 CD GLU A 92 -5.566 -4.673 6.370 1.00 1.42 C ATOM 1502 OE1 GLU A 92 -5.340 -3.947 7.324 1.00 2.06 O ATOM 1503 OE2 GLU A 92 -4.857 -5.611 6.043 1.00 2.18 O ATOM 0 H GLU A 92 -6.946 -3.324 2.687 1.00 0.54 H new ATOM 0 HA GLU A 92 -8.963 -3.048 4.831 1.00 0.42 H new ATOM 0 HB2 GLU A 92 -5.960 -2.615 4.639 1.00 0.44 H new ATOM 0 HB3 GLU A 92 -6.884 -2.305 6.096 1.00 0.44 H new ATOM 0 HG2 GLU A 92 -7.709 -4.675 6.081 1.00 0.55 H new ATOM 0 HG3 GLU A 92 -6.795 -4.986 4.618 1.00 0.55 H new ATOM 1510 N TYR A 93 -9.053 -0.694 3.198 1.00 0.33 N ATOM 1511 CA TYR A 93 -9.205 0.757 2.891 1.00 0.31 C ATOM 1512 C TYR A 93 -9.422 1.592 4.156 1.00 0.25 C ATOM 1513 O TYR A 93 -9.277 2.798 4.119 1.00 0.27 O ATOM 1514 CB TYR A 93 -10.374 1.001 1.926 1.00 0.41 C ATOM 1515 CG TYR A 93 -10.454 -0.077 0.868 1.00 0.53 C ATOM 1516 CD1 TYR A 93 -9.667 0.011 -0.286 1.00 1.42 C ATOM 1517 CD2 TYR A 93 -11.346 -1.146 1.027 1.00 1.28 C ATOM 1518 CE1 TYR A 93 -9.772 -0.970 -1.281 1.00 1.57 C ATOM 1519 CE2 TYR A 93 -11.446 -2.129 0.035 1.00 1.35 C ATOM 1520 CZ TYR A 93 -10.662 -2.040 -1.121 1.00 0.95 C ATOM 1521 OH TYR A 93 -10.765 -3.006 -2.101 1.00 1.19 O ATOM 0 H TYR A 93 -9.606 -1.318 2.611 1.00 0.33 H new ATOM 0 HA TYR A 93 -8.273 1.070 2.421 1.00 0.31 H new ATOM 0 HB2 TYR A 93 -11.309 1.033 2.486 1.00 0.41 H new ATOM 0 HB3 TYR A 93 -10.256 1.973 1.448 1.00 0.41 H new ATOM 0 HD1 TYR A 93 -8.979 0.834 -0.410 1.00 1.42 H new ATOM 0 HD2 TYR A 93 -11.957 -1.212 1.915 1.00 1.28 H new ATOM 0 HE1 TYR A 93 -9.166 -0.901 -2.172 1.00 1.57 H new ATOM 0 HE2 TYR A 93 -12.128 -2.956 0.162 1.00 1.35 H new ATOM 0 HH TYR A 93 -11.427 -3.676 -1.831 1.00 1.19 H new ATOM 1531 N SER A 94 -9.741 1.011 5.280 1.00 0.24 N ATOM 1532 CA SER A 94 -9.924 1.854 6.495 1.00 0.28 C ATOM 1533 C SER A 94 -8.574 2.437 6.898 1.00 0.29 C ATOM 1534 O SER A 94 -8.464 3.590 7.264 1.00 0.39 O ATOM 1535 CB SER A 94 -10.474 0.992 7.634 1.00 0.30 C ATOM 1536 OG SER A 94 -9.538 -0.034 7.943 1.00 1.12 O ATOM 0 H SER A 94 -9.881 0.009 5.410 1.00 0.24 H new ATOM 0 HA SER A 94 -10.626 2.661 6.286 1.00 0.28 H new ATOM 0 HB2 SER A 94 -10.659 1.608 8.514 1.00 0.30 H new ATOM 0 HB3 SER A 94 -11.429 0.553 7.345 1.00 0.30 H new ATOM 0 HG SER A 94 -8.840 0.326 8.530 1.00 1.12 H new ATOM 1542 N MET A 95 -7.542 1.646 6.822 1.00 0.27 N ATOM 1543 CA MET A 95 -6.190 2.145 7.185 1.00 0.36 C ATOM 1544 C MET A 95 -5.660 3.017 6.046 1.00 0.26 C ATOM 1545 O MET A 95 -5.116 4.082 6.261 1.00 0.26 O ATOM 1546 CB MET A 95 -5.252 0.954 7.398 1.00 0.48 C ATOM 1547 CG MET A 95 -5.987 -0.151 8.152 1.00 0.81 C ATOM 1548 SD MET A 95 -6.658 0.503 9.700 1.00 1.25 S ATOM 1549 CE MET A 95 -5.081 0.940 10.469 1.00 0.83 C ATOM 0 H MET A 95 -7.578 0.672 6.523 1.00 0.27 H new ATOM 0 HA MET A 95 -6.243 2.732 8.102 1.00 0.36 H new ATOM 0 HB2 MET A 95 -4.900 0.580 6.437 1.00 0.48 H new ATOM 0 HB3 MET A 95 -4.372 1.268 7.960 1.00 0.48 H new ATOM 0 HG2 MET A 95 -6.793 -0.550 7.536 1.00 0.81 H new ATOM 0 HG3 MET A 95 -5.306 -0.976 8.360 1.00 0.81 H new ATOM 0 HE1 MET A 95 -5.189 0.925 11.554 1.00 0.83 H new ATOM 0 HE2 MET A 95 -4.319 0.221 10.170 1.00 0.83 H new ATOM 0 HE3 MET A 95 -4.784 1.938 10.148 1.00 0.83 H new ATOM 1559 N ALA A 96 -5.824 2.569 4.831 1.00 0.23 N ATOM 1560 CA ALA A 96 -5.340 3.362 3.671 1.00 0.20 C ATOM 1561 C ALA A 96 -5.993 4.749 3.700 1.00 0.18 C ATOM 1562 O ALA A 96 -5.344 5.757 3.499 1.00 0.19 O ATOM 1563 CB ALA A 96 -5.715 2.636 2.373 1.00 0.23 C ATOM 0 H ALA A 96 -6.274 1.685 4.594 1.00 0.23 H new ATOM 0 HA ALA A 96 -4.257 3.473 3.722 1.00 0.20 H new ATOM 0 HB1 ALA A 96 -5.362 3.213 1.518 1.00 0.23 H new ATOM 0 HB2 ALA A 96 -5.251 1.650 2.361 1.00 0.23 H new ATOM 0 HB3 ALA A 96 -6.798 2.528 2.316 1.00 0.23 H new ATOM 1569 N LYS A 97 -7.277 4.804 3.937 1.00 0.19 N ATOM 1570 CA LYS A 97 -7.982 6.118 3.969 1.00 0.21 C ATOM 1571 C LYS A 97 -7.331 7.042 4.998 1.00 0.21 C ATOM 1572 O LYS A 97 -7.077 8.198 4.725 1.00 0.22 O ATOM 1573 CB LYS A 97 -9.456 5.902 4.339 1.00 0.29 C ATOM 1574 CG LYS A 97 -10.132 7.255 4.604 1.00 0.44 C ATOM 1575 CD LYS A 97 -11.652 7.083 4.618 1.00 0.78 C ATOM 1576 CE LYS A 97 -12.302 8.356 5.166 1.00 1.07 C ATOM 1577 NZ LYS A 97 -13.783 8.192 5.187 1.00 2.10 N ATOM 0 H LYS A 97 -7.870 3.992 4.110 1.00 0.19 H new ATOM 0 HA LYS A 97 -7.914 6.579 2.983 1.00 0.21 H new ATOM 0 HB2 LYS A 97 -9.970 5.381 3.531 1.00 0.29 H new ATOM 0 HB3 LYS A 97 -9.529 5.270 5.224 1.00 0.29 H new ATOM 0 HG2 LYS A 97 -9.794 7.660 5.558 1.00 0.44 H new ATOM 0 HG3 LYS A 97 -9.845 7.972 3.834 1.00 0.44 H new ATOM 0 HD2 LYS A 97 -12.016 6.880 3.611 1.00 0.78 H new ATOM 0 HD3 LYS A 97 -11.927 6.227 5.234 1.00 0.78 H new ATOM 0 HE2 LYS A 97 -11.934 8.560 6.172 1.00 1.07 H new ATOM 0 HE3 LYS A 97 -12.029 9.211 4.547 1.00 1.07 H new ATOM 0 HZ1 LYS A 97 -14.223 9.058 5.560 1.00 2.10 H new ATOM 0 HZ2 LYS A 97 -14.127 8.017 4.221 1.00 2.10 H new ATOM 0 HZ3 LYS A 97 -14.035 7.387 5.795 1.00 2.10 H new ATOM 1591 N ARG A 98 -7.086 6.574 6.189 1.00 0.22 N ATOM 1592 CA ARG A 98 -6.484 7.462 7.219 1.00 0.25 C ATOM 1593 C ARG A 98 -5.067 7.890 6.816 1.00 0.20 C ATOM 1594 O ARG A 98 -4.666 9.012 7.050 1.00 0.21 O ATOM 1595 CB ARG A 98 -6.437 6.698 8.554 1.00 0.33 C ATOM 1596 CG ARG A 98 -6.429 7.688 9.717 1.00 1.18 C ATOM 1597 CD ARG A 98 -6.079 6.960 11.018 1.00 1.28 C ATOM 1598 NE ARG A 98 -5.954 7.953 12.123 1.00 1.90 N ATOM 1599 CZ ARG A 98 -5.945 7.553 13.365 1.00 2.29 C ATOM 1600 NH1 ARG A 98 -6.043 6.282 13.643 1.00 2.29 N ATOM 1601 NH2 ARG A 98 -5.838 8.425 14.331 1.00 3.20 N ATOM 0 H ARG A 98 -7.276 5.619 6.492 1.00 0.22 H new ATOM 0 HA ARG A 98 -7.091 8.362 7.316 1.00 0.25 H new ATOM 0 HB2 ARG A 98 -7.299 6.035 8.635 1.00 0.33 H new ATOM 0 HB3 ARG A 98 -5.547 6.070 8.593 1.00 0.33 H new ATOM 0 HG2 ARG A 98 -5.705 8.480 9.527 1.00 1.18 H new ATOM 0 HG3 ARG A 98 -7.405 8.164 9.808 1.00 1.18 H new ATOM 0 HD2 ARG A 98 -6.851 6.228 11.257 1.00 1.28 H new ATOM 0 HD3 ARG A 98 -5.145 6.411 10.900 1.00 1.28 H new ATOM 0 HE ARG A 98 -5.875 8.947 11.908 1.00 1.90 H new ATOM 0 HH11 ARG A 98 -6.127 5.600 12.889 1.00 2.29 H new ATOM 0 HH12 ARG A 98 -6.036 5.970 14.614 1.00 2.29 H new ATOM 0 HH21 ARG A 98 -5.761 9.419 14.115 1.00 3.20 H new ATOM 0 HH22 ARG A 98 -5.831 8.112 15.302 1.00 3.20 H new ATOM 1615 N TYR A 99 -4.295 7.010 6.237 1.00 0.21 N ATOM 1616 CA TYR A 99 -2.902 7.394 5.861 1.00 0.22 C ATOM 1617 C TYR A 99 -2.910 8.331 4.647 1.00 0.19 C ATOM 1618 O TYR A 99 -2.300 9.382 4.667 1.00 0.21 O ATOM 1619 CB TYR A 99 -2.084 6.138 5.521 1.00 0.27 C ATOM 1620 CG TYR A 99 -2.030 5.163 6.694 1.00 0.29 C ATOM 1621 CD1 TYR A 99 -1.762 5.613 8.002 1.00 1.17 C ATOM 1622 CD2 TYR A 99 -2.217 3.789 6.463 1.00 1.32 C ATOM 1623 CE1 TYR A 99 -1.694 4.698 9.058 1.00 1.18 C ATOM 1624 CE2 TYR A 99 -2.142 2.881 7.524 1.00 1.34 C ATOM 1625 CZ TYR A 99 -1.883 3.335 8.820 1.00 0.40 C ATOM 1626 OH TYR A 99 -1.809 2.436 9.864 1.00 0.47 O ATOM 0 H TYR A 99 -4.563 6.053 6.010 1.00 0.21 H new ATOM 0 HA TYR A 99 -2.450 7.910 6.708 1.00 0.22 H new ATOM 0 HB2 TYR A 99 -2.523 5.642 4.655 1.00 0.27 H new ATOM 0 HB3 TYR A 99 -1.071 6.428 5.242 1.00 0.27 H new ATOM 0 HD1 TYR A 99 -1.609 6.666 8.190 1.00 1.17 H new ATOM 0 HD2 TYR A 99 -2.419 3.434 5.463 1.00 1.32 H new ATOM 0 HE1 TYR A 99 -1.495 5.047 10.060 1.00 1.18 H new ATOM 0 HE2 TYR A 99 -2.285 1.826 7.341 1.00 1.34 H new ATOM 0 HH TYR A 99 -1.965 1.529 9.527 1.00 0.47 H new ATOM 1636 N VAL A 100 -3.572 7.962 3.587 1.00 0.18 N ATOM 1637 CA VAL A 100 -3.581 8.844 2.384 1.00 0.19 C ATOM 1638 C VAL A 100 -4.138 10.219 2.768 1.00 0.21 C ATOM 1639 O VAL A 100 -3.725 11.235 2.244 1.00 0.22 O ATOM 1640 CB VAL A 100 -4.430 8.209 1.274 1.00 0.19 C ATOM 1641 CG1 VAL A 100 -5.916 8.297 1.626 1.00 0.22 C ATOM 1642 CG2 VAL A 100 -4.173 8.944 -0.044 1.00 0.20 C ATOM 0 H VAL A 100 -4.103 7.096 3.500 1.00 0.18 H new ATOM 0 HA VAL A 100 -2.564 8.964 2.011 1.00 0.19 H new ATOM 0 HB VAL A 100 -4.154 7.160 1.172 1.00 0.19 H new ATOM 0 HG11 VAL A 100 -6.506 7.843 0.830 1.00 0.22 H new ATOM 0 HG12 VAL A 100 -6.100 7.768 2.561 1.00 0.22 H new ATOM 0 HG13 VAL A 100 -6.202 9.343 1.738 1.00 0.22 H new ATOM 0 HG21 VAL A 100 -4.775 8.495 -0.834 1.00 0.20 H new ATOM 0 HG22 VAL A 100 -4.444 9.994 0.066 1.00 0.20 H new ATOM 0 HG23 VAL A 100 -3.117 8.867 -0.304 1.00 0.20 H new ATOM 1652 N ASP A 101 -5.070 10.258 3.680 1.00 0.23 N ATOM 1653 CA ASP A 101 -5.650 11.566 4.099 1.00 0.27 C ATOM 1654 C ASP A 101 -4.560 12.424 4.747 1.00 0.26 C ATOM 1655 O ASP A 101 -4.348 13.561 4.376 1.00 0.29 O ATOM 1656 CB ASP A 101 -6.772 11.322 5.110 1.00 0.30 C ATOM 1657 CG ASP A 101 -7.404 12.658 5.505 1.00 0.97 C ATOM 1658 OD1 ASP A 101 -7.780 13.400 4.612 1.00 1.60 O ATOM 1659 OD2 ASP A 101 -7.502 12.917 6.693 1.00 1.79 O ATOM 0 H ASP A 101 -5.455 9.441 4.153 1.00 0.23 H new ATOM 0 HA ASP A 101 -6.049 12.083 3.227 1.00 0.27 H new ATOM 0 HB2 ASP A 101 -7.527 10.664 4.679 1.00 0.30 H new ATOM 0 HB3 ASP A 101 -6.377 10.819 5.993 1.00 0.30 H new ATOM 1664 N THR A 102 -3.867 11.885 5.713 1.00 0.25 N ATOM 1665 CA THR A 102 -2.791 12.665 6.389 1.00 0.26 C ATOM 1666 C THR A 102 -1.739 13.088 5.360 1.00 0.26 C ATOM 1667 O THR A 102 -1.333 14.232 5.307 1.00 0.27 O ATOM 1668 CB THR A 102 -2.134 11.790 7.462 1.00 0.27 C ATOM 1669 OG1 THR A 102 -3.080 11.511 8.485 1.00 0.32 O ATOM 1670 CG2 THR A 102 -0.931 12.518 8.065 1.00 0.29 C ATOM 0 H THR A 102 -4.000 10.936 6.064 1.00 0.25 H new ATOM 0 HA THR A 102 -3.220 13.554 6.851 1.00 0.26 H new ATOM 0 HB THR A 102 -1.796 10.858 7.008 1.00 0.27 H new ATOM 0 HG1 THR A 102 -3.653 10.766 8.207 1.00 0.32 H new ATOM 0 HG21 THR A 102 -0.470 11.889 8.827 1.00 0.29 H new ATOM 0 HG22 THR A 102 -0.204 12.731 7.281 1.00 0.29 H new ATOM 0 HG23 THR A 102 -1.261 13.453 8.517 1.00 0.29 H new ATOM 1678 N LEU A 103 -1.289 12.171 4.549 1.00 0.25 N ATOM 1679 CA LEU A 103 -0.255 12.513 3.532 1.00 0.27 C ATOM 1680 C LEU A 103 -0.823 13.506 2.512 1.00 0.29 C ATOM 1681 O LEU A 103 -0.110 14.339 1.988 1.00 0.31 O ATOM 1682 CB LEU A 103 0.184 11.233 2.808 1.00 0.29 C ATOM 1683 CG LEU A 103 1.424 11.505 1.930 1.00 0.34 C ATOM 1684 CD1 LEU A 103 2.704 11.439 2.774 1.00 0.36 C ATOM 1685 CD2 LEU A 103 1.508 10.447 0.824 1.00 0.41 C ATOM 0 H LEU A 103 -1.593 11.197 4.547 1.00 0.25 H new ATOM 0 HA LEU A 103 0.600 12.969 4.031 1.00 0.27 H new ATOM 0 HB2 LEU A 103 0.411 10.456 3.537 1.00 0.29 H new ATOM 0 HB3 LEU A 103 -0.632 10.860 2.189 1.00 0.29 H new ATOM 0 HG LEU A 103 1.330 12.500 1.495 1.00 0.34 H new ATOM 0 HD11 LEU A 103 3.569 11.633 2.139 1.00 0.36 H new ATOM 0 HD12 LEU A 103 2.658 12.189 3.564 1.00 0.36 H new ATOM 0 HD13 LEU A 103 2.796 10.448 3.219 1.00 0.36 H new ATOM 0 HD21 LEU A 103 2.383 10.638 0.203 1.00 0.41 H new ATOM 0 HD22 LEU A 103 1.591 9.457 1.273 1.00 0.41 H new ATOM 0 HD23 LEU A 103 0.610 10.492 0.208 1.00 0.41 H new ATOM 1697 N PHE A 104 -2.090 13.423 2.210 1.00 0.29 N ATOM 1698 CA PHE A 104 -2.672 14.361 1.207 1.00 0.32 C ATOM 1699 C PHE A 104 -2.565 15.801 1.720 1.00 0.37 C ATOM 1700 O PHE A 104 -2.436 16.734 0.952 1.00 0.41 O ATOM 1701 CB PHE A 104 -4.144 14.002 0.968 1.00 0.33 C ATOM 1702 CG PHE A 104 -4.790 15.040 0.080 1.00 0.40 C ATOM 1703 CD1 PHE A 104 -4.727 14.909 -1.313 1.00 1.23 C ATOM 1704 CD2 PHE A 104 -5.455 16.133 0.650 1.00 1.17 C ATOM 1705 CE1 PHE A 104 -5.327 15.870 -2.135 1.00 1.29 C ATOM 1706 CE2 PHE A 104 -6.055 17.095 -0.172 1.00 1.19 C ATOM 1707 CZ PHE A 104 -5.991 16.963 -1.565 1.00 0.60 C ATOM 0 H PHE A 104 -2.744 12.751 2.611 1.00 0.29 H new ATOM 0 HA PHE A 104 -2.122 14.276 0.270 1.00 0.32 H new ATOM 0 HB2 PHE A 104 -4.217 13.018 0.504 1.00 0.33 H new ATOM 0 HB3 PHE A 104 -4.673 13.945 1.920 1.00 0.33 H new ATOM 0 HD1 PHE A 104 -4.215 14.066 -1.753 1.00 1.23 H new ATOM 0 HD2 PHE A 104 -5.505 16.234 1.724 1.00 1.17 H new ATOM 0 HE1 PHE A 104 -5.278 15.768 -3.209 1.00 1.29 H new ATOM 0 HE2 PHE A 104 -6.567 17.938 0.268 1.00 1.19 H new ATOM 0 HZ PHE A 104 -6.454 17.704 -2.199 1.00 0.60 H new ATOM 1717 N GLU A 105 -2.620 15.990 3.009 1.00 0.42 N ATOM 1718 CA GLU A 105 -2.525 17.371 3.563 1.00 0.52 C ATOM 1719 C GLU A 105 -1.223 18.028 3.099 1.00 0.56 C ATOM 1720 O GLU A 105 -1.194 19.202 2.785 1.00 0.61 O ATOM 1721 CB GLU A 105 -2.550 17.312 5.093 1.00 0.58 C ATOM 1722 CG GLU A 105 -3.929 16.849 5.568 1.00 1.20 C ATOM 1723 CD GLU A 105 -4.951 17.965 5.344 1.00 1.75 C ATOM 1724 OE1 GLU A 105 -4.771 19.029 5.913 1.00 2.31 O ATOM 1725 OE2 GLU A 105 -5.896 17.736 4.607 1.00 2.47 O ATOM 0 H GLU A 105 -2.726 15.250 3.702 1.00 0.42 H new ATOM 0 HA GLU A 105 -3.371 17.959 3.207 1.00 0.52 H new ATOM 0 HB2 GLU A 105 -1.782 16.628 5.453 1.00 0.58 H new ATOM 0 HB3 GLU A 105 -2.322 18.294 5.508 1.00 0.58 H new ATOM 0 HG2 GLU A 105 -4.230 15.953 5.025 1.00 1.20 H new ATOM 0 HG3 GLU A 105 -3.891 16.584 6.625 1.00 1.20 H new ATOM 1838 N GLN A 112 -0.919 12.324 -8.437 1.00 0.54 N ATOM 1839 CA GLN A 112 -0.935 10.853 -8.187 1.00 0.49 C ATOM 1840 C GLN A 112 -1.650 10.568 -6.867 1.00 0.39 C ATOM 1841 O GLN A 112 -2.214 9.511 -6.666 1.00 0.37 O ATOM 1842 CB GLN A 112 0.504 10.335 -8.111 1.00 0.54 C ATOM 1843 CG GLN A 112 1.144 10.390 -9.500 1.00 1.05 C ATOM 1844 CD GLN A 112 0.526 9.311 -10.392 1.00 1.82 C ATOM 1845 OE1 GLN A 112 0.466 8.157 -10.018 1.00 2.54 O ATOM 1846 NE2 GLN A 112 0.061 9.641 -11.567 1.00 2.56 N ATOM 0 HA GLN A 112 -1.460 10.351 -8.999 1.00 0.49 H new ATOM 0 HB2 GLN A 112 1.081 10.937 -7.410 1.00 0.54 H new ATOM 0 HB3 GLN A 112 0.513 9.312 -7.736 1.00 0.54 H new ATOM 0 HG2 GLN A 112 0.991 11.374 -9.943 1.00 1.05 H new ATOM 0 HG3 GLN A 112 2.221 10.239 -9.422 1.00 1.05 H new ATOM 0 HE21 GLN A 112 0.111 10.610 -11.882 1.00 2.56 H new ATOM 0 HE22 GLN A 112 -0.352 8.930 -12.170 1.00 2.56 H new ATOM 1855 N VAL A 113 -1.637 11.513 -5.972 1.00 0.37 N ATOM 1856 CA VAL A 113 -2.320 11.318 -4.662 1.00 0.32 C ATOM 1857 C VAL A 113 -3.825 11.461 -4.876 1.00 0.32 C ATOM 1858 O VAL A 113 -4.615 10.680 -4.383 1.00 0.30 O ATOM 1859 CB VAL A 113 -1.835 12.375 -3.666 1.00 0.35 C ATOM 1860 CG1 VAL A 113 -2.266 11.985 -2.251 1.00 0.41 C ATOM 1861 CG2 VAL A 113 -0.308 12.466 -3.723 1.00 0.40 C ATOM 0 H VAL A 113 -1.181 12.417 -6.091 1.00 0.37 H new ATOM 0 HA VAL A 113 -2.092 10.329 -4.263 1.00 0.32 H new ATOM 0 HB VAL A 113 -2.270 13.340 -3.925 1.00 0.35 H new ATOM 0 HG11 VAL A 113 -1.919 12.739 -1.544 1.00 0.41 H new ATOM 0 HG12 VAL A 113 -3.353 11.919 -2.207 1.00 0.41 H new ATOM 0 HG13 VAL A 113 -1.833 11.019 -1.992 1.00 0.41 H new ATOM 0 HG21 VAL A 113 0.038 13.218 -3.014 1.00 0.40 H new ATOM 0 HG22 VAL A 113 0.124 11.499 -3.466 1.00 0.40 H new ATOM 0 HG23 VAL A 113 0.002 12.746 -4.730 1.00 0.40 H new ATOM 1871 N GLY A 114 -4.223 12.452 -5.625 1.00 0.37 N ATOM 1872 CA GLY A 114 -5.675 12.646 -5.892 1.00 0.40 C ATOM 1873 C GLY A 114 -6.204 11.401 -6.599 1.00 0.38 C ATOM 1874 O GLY A 114 -7.333 10.993 -6.419 1.00 0.38 O ATOM 0 H GLY A 114 -3.605 13.135 -6.063 1.00 0.37 H new ATOM 0 HA2 GLY A 114 -6.214 12.810 -4.959 1.00 0.40 H new ATOM 0 HA3 GLY A 114 -5.832 13.529 -6.511 1.00 0.40 H new ATOM 1878 N ALA A 115 -5.383 10.790 -7.404 1.00 0.38 N ATOM 1879 CA ALA A 115 -5.810 9.559 -8.122 1.00 0.38 C ATOM 1880 C ALA A 115 -5.692 8.356 -7.175 1.00 0.33 C ATOM 1881 O ALA A 115 -6.576 7.518 -7.108 1.00 0.34 O ATOM 1882 CB ALA A 115 -4.922 9.359 -9.351 1.00 0.43 C ATOM 0 H ALA A 115 -4.428 11.092 -7.597 1.00 0.38 H new ATOM 0 HA ALA A 115 -6.846 9.654 -8.446 1.00 0.38 H new ATOM 0 HB1 ALA A 115 -5.231 8.458 -9.881 1.00 0.43 H new ATOM 0 HB2 ALA A 115 -5.018 10.220 -10.013 1.00 0.43 H new ATOM 0 HB3 ALA A 115 -3.883 9.257 -9.037 1.00 0.43 H new ATOM 1888 N LEU A 116 -4.620 8.257 -6.438 1.00 0.31 N ATOM 1889 CA LEU A 116 -4.480 7.099 -5.511 1.00 0.29 C ATOM 1890 C LEU A 116 -5.635 7.117 -4.507 1.00 0.26 C ATOM 1891 O LEU A 116 -6.294 6.118 -4.293 1.00 0.25 O ATOM 1892 CB LEU A 116 -3.141 7.191 -4.770 1.00 0.32 C ATOM 1893 CG LEU A 116 -2.922 5.939 -3.904 1.00 0.27 C ATOM 1894 CD1 LEU A 116 -2.813 4.682 -4.788 1.00 0.49 C ATOM 1895 CD2 LEU A 116 -1.629 6.115 -3.100 1.00 0.68 C ATOM 0 H LEU A 116 -3.844 8.919 -6.437 1.00 0.31 H new ATOM 0 HA LEU A 116 -4.507 6.168 -6.078 1.00 0.29 H new ATOM 0 HB2 LEU A 116 -2.327 7.292 -5.488 1.00 0.32 H new ATOM 0 HB3 LEU A 116 -3.125 8.082 -4.143 1.00 0.32 H new ATOM 0 HG LEU A 116 -3.770 5.815 -3.231 1.00 0.27 H new ATOM 0 HD11 LEU A 116 -2.658 3.806 -4.158 1.00 0.49 H new ATOM 0 HD12 LEU A 116 -3.732 4.559 -5.361 1.00 0.49 H new ATOM 0 HD13 LEU A 116 -1.971 4.790 -5.472 1.00 0.49 H new ATOM 0 HD21 LEU A 116 -1.462 5.233 -2.481 1.00 0.68 H new ATOM 0 HD22 LEU A 116 -0.790 6.242 -3.784 1.00 0.68 H new ATOM 0 HD23 LEU A 116 -1.714 6.995 -2.462 1.00 0.68 H new ATOM 1907 N LYS A 117 -5.890 8.237 -3.883 1.00 0.27 N ATOM 1908 CA LYS A 117 -7.007 8.287 -2.899 1.00 0.28 C ATOM 1909 C LYS A 117 -8.318 7.951 -3.619 1.00 0.28 C ATOM 1910 O LYS A 117 -9.228 7.390 -3.042 1.00 0.29 O ATOM 1911 CB LYS A 117 -7.081 9.686 -2.250 1.00 0.33 C ATOM 1912 CG LYS A 117 -7.759 10.688 -3.193 1.00 0.78 C ATOM 1913 CD LYS A 117 -7.585 12.114 -2.654 1.00 0.86 C ATOM 1914 CE LYS A 117 -8.338 12.276 -1.324 1.00 1.44 C ATOM 1915 NZ LYS A 117 -7.482 11.788 -0.207 1.00 2.16 N ATOM 0 H LYS A 117 -5.378 9.110 -4.011 1.00 0.27 H new ATOM 0 HA LYS A 117 -6.836 7.558 -2.107 1.00 0.28 H new ATOM 0 HB2 LYS A 117 -7.635 9.629 -1.313 1.00 0.33 H new ATOM 0 HB3 LYS A 117 -6.077 10.032 -2.005 1.00 0.33 H new ATOM 0 HG2 LYS A 117 -7.326 10.612 -4.190 1.00 0.78 H new ATOM 0 HG3 LYS A 117 -8.819 10.452 -3.287 1.00 0.78 H new ATOM 0 HD2 LYS A 117 -6.526 12.329 -2.509 1.00 0.86 H new ATOM 0 HD3 LYS A 117 -7.959 12.834 -3.382 1.00 0.86 H new ATOM 0 HE2 LYS A 117 -8.599 13.323 -1.166 1.00 1.44 H new ATOM 0 HE3 LYS A 117 -9.272 11.716 -1.352 1.00 1.44 H new ATOM 0 HZ1 LYS A 117 -7.860 10.888 0.152 1.00 2.16 H new ATOM 0 HZ2 LYS A 117 -6.511 11.643 -0.551 1.00 2.16 H new ATOM 0 HZ3 LYS A 117 -7.476 12.491 0.559 1.00 2.16 H new ATOM 1929 N SER A 118 -8.422 8.298 -4.877 1.00 0.29 N ATOM 1930 CA SER A 118 -9.673 8.008 -5.634 1.00 0.31 C ATOM 1931 C SER A 118 -9.978 6.511 -5.590 1.00 0.29 C ATOM 1932 O SER A 118 -11.125 6.111 -5.552 1.00 0.30 O ATOM 1933 CB SER A 118 -9.506 8.448 -7.090 1.00 0.34 C ATOM 1934 OG SER A 118 -8.849 7.420 -7.818 1.00 1.35 O ATOM 0 H SER A 118 -7.693 8.770 -5.411 1.00 0.29 H new ATOM 0 HA SER A 118 -10.497 8.556 -5.177 1.00 0.31 H new ATOM 0 HB2 SER A 118 -10.480 8.658 -7.533 1.00 0.34 H new ATOM 0 HB3 SER A 118 -8.928 9.371 -7.139 1.00 0.34 H new ATOM 0 HG SER A 118 -8.102 7.071 -7.289 1.00 1.35 H new ATOM 1940 N MET A 119 -8.976 5.671 -5.563 1.00 0.26 N ATOM 1941 CA MET A 119 -9.250 4.205 -5.488 1.00 0.25 C ATOM 1942 C MET A 119 -9.731 3.881 -4.069 1.00 0.23 C ATOM 1943 O MET A 119 -10.682 3.154 -3.864 1.00 0.24 O ATOM 1944 CB MET A 119 -7.958 3.426 -5.782 1.00 0.26 C ATOM 1945 CG MET A 119 -7.707 3.376 -7.292 1.00 0.61 C ATOM 1946 SD MET A 119 -7.435 5.058 -7.916 1.00 1.03 S ATOM 1947 CE MET A 119 -5.851 4.769 -8.748 1.00 0.69 C ATOM 0 H MET A 119 -7.990 5.932 -5.589 1.00 0.26 H new ATOM 0 HA MET A 119 -10.008 3.924 -6.219 1.00 0.25 H new ATOM 0 HB2 MET A 119 -7.115 3.902 -5.281 1.00 0.26 H new ATOM 0 HB3 MET A 119 -8.036 2.414 -5.384 1.00 0.26 H new ATOM 0 HG2 MET A 119 -6.839 2.752 -7.507 1.00 0.61 H new ATOM 0 HG3 MET A 119 -8.559 2.922 -7.798 1.00 0.61 H new ATOM 0 HE1 MET A 119 -5.505 5.696 -9.205 1.00 0.69 H new ATOM 0 HE2 MET A 119 -5.115 4.427 -8.021 1.00 0.69 H new ATOM 0 HE3 MET A 119 -5.979 4.010 -9.520 1.00 0.69 H new ATOM 1957 N VAL A 120 -9.073 4.442 -3.095 1.00 0.21 N ATOM 1958 CA VAL A 120 -9.450 4.224 -1.669 1.00 0.20 C ATOM 1959 C VAL A 120 -10.839 4.803 -1.377 1.00 0.22 C ATOM 1960 O VAL A 120 -11.690 4.133 -0.827 1.00 0.22 O ATOM 1961 CB VAL A 120 -8.427 4.940 -0.785 1.00 0.20 C ATOM 1962 CG1 VAL A 120 -8.642 4.534 0.674 1.00 0.20 C ATOM 1963 CG2 VAL A 120 -7.015 4.541 -1.220 1.00 0.23 C ATOM 0 H VAL A 120 -8.271 5.057 -3.230 1.00 0.21 H new ATOM 0 HA VAL A 120 -9.467 3.153 -1.466 1.00 0.20 H new ATOM 0 HB VAL A 120 -8.550 6.018 -0.885 1.00 0.20 H new ATOM 0 HG11 VAL A 120 -7.914 5.044 1.305 1.00 0.20 H new ATOM 0 HG12 VAL A 120 -9.649 4.813 0.985 1.00 0.20 H new ATOM 0 HG13 VAL A 120 -8.517 3.456 0.774 1.00 0.20 H new ATOM 0 HG21 VAL A 120 -6.283 5.050 -0.592 1.00 0.23 H new ATOM 0 HG22 VAL A 120 -6.894 3.463 -1.118 1.00 0.23 H new ATOM 0 HG23 VAL A 120 -6.861 4.826 -2.261 1.00 0.23 H new ATOM 1973 N GLU A 121 -11.077 6.039 -1.716 1.00 0.25 N ATOM 1974 CA GLU A 121 -12.411 6.643 -1.425 1.00 0.29 C ATOM 1975 C GLU A 121 -13.485 5.992 -2.302 1.00 0.28 C ATOM 1976 O GLU A 121 -14.617 5.831 -1.890 1.00 0.31 O ATOM 1977 CB GLU A 121 -12.355 8.157 -1.701 1.00 0.35 C ATOM 1978 CG GLU A 121 -11.833 8.900 -0.464 1.00 1.07 C ATOM 1979 CD GLU A 121 -10.518 8.271 0.001 1.00 1.63 C ATOM 1980 OE1 GLU A 121 -9.551 8.350 -0.739 1.00 2.20 O ATOM 1981 OE2 GLU A 121 -10.500 7.722 1.091 1.00 2.27 O ATOM 0 H GLU A 121 -10.410 6.656 -2.180 1.00 0.25 H new ATOM 0 HA GLU A 121 -12.664 6.473 -0.378 1.00 0.29 H new ATOM 0 HB2 GLU A 121 -11.706 8.355 -2.554 1.00 0.35 H new ATOM 0 HB3 GLU A 121 -13.347 8.524 -1.963 1.00 0.35 H new ATOM 0 HG2 GLU A 121 -11.680 9.953 -0.699 1.00 1.07 H new ATOM 0 HG3 GLU A 121 -12.571 8.856 0.337 1.00 1.07 H new ATOM 1988 N ASP A 122 -13.149 5.619 -3.502 1.00 0.28 N ATOM 1989 CA ASP A 122 -14.165 4.985 -4.384 1.00 0.30 C ATOM 1990 C ASP A 122 -14.525 3.603 -3.837 1.00 0.28 C ATOM 1991 O ASP A 122 -15.667 3.179 -3.892 1.00 0.31 O ATOM 1992 CB ASP A 122 -13.598 4.842 -5.799 1.00 0.34 C ATOM 1993 CG ASP A 122 -14.613 4.122 -6.689 1.00 1.16 C ATOM 1994 OD1 ASP A 122 -15.590 4.748 -7.066 1.00 1.89 O ATOM 1995 OD2 ASP A 122 -14.397 2.957 -6.980 1.00 1.92 O ATOM 0 H ASP A 122 -12.220 5.724 -3.910 1.00 0.28 H new ATOM 0 HA ASP A 122 -15.059 5.609 -4.413 1.00 0.30 H new ATOM 0 HB2 ASP A 122 -13.371 5.825 -6.211 1.00 0.34 H new ATOM 0 HB3 ASP A 122 -12.662 4.283 -5.772 1.00 0.34 H new ATOM 2000 N LYS A 123 -13.567 2.888 -3.314 1.00 0.27 N ATOM 2001 CA LYS A 123 -13.866 1.532 -2.783 1.00 0.27 C ATOM 2002 C LYS A 123 -14.610 1.635 -1.446 1.00 0.26 C ATOM 2003 O LYS A 123 -15.434 0.796 -1.137 1.00 0.28 O ATOM 2004 CB LYS A 123 -12.539 0.754 -2.590 1.00 0.27 C ATOM 2005 CG LYS A 123 -12.323 -0.248 -3.738 1.00 0.93 C ATOM 2006 CD LYS A 123 -13.149 -1.518 -3.488 1.00 1.10 C ATOM 2007 CE LYS A 123 -12.867 -2.534 -4.595 1.00 1.43 C ATOM 2008 NZ LYS A 123 -13.144 -1.913 -5.922 1.00 1.95 N ATOM 0 H LYS A 123 -12.594 3.184 -3.232 1.00 0.27 H new ATOM 0 HA LYS A 123 -14.501 1.002 -3.493 1.00 0.27 H new ATOM 0 HB2 LYS A 123 -11.704 1.454 -2.550 1.00 0.27 H new ATOM 0 HB3 LYS A 123 -12.557 0.225 -1.637 1.00 0.27 H new ATOM 0 HG2 LYS A 123 -12.614 0.204 -4.686 1.00 0.93 H new ATOM 0 HG3 LYS A 123 -11.266 -0.501 -3.817 1.00 0.93 H new ATOM 0 HD2 LYS A 123 -12.897 -1.943 -2.516 1.00 1.10 H new ATOM 0 HD3 LYS A 123 -14.211 -1.275 -3.464 1.00 1.10 H new ATOM 0 HE2 LYS A 123 -11.829 -2.863 -4.545 1.00 1.43 H new ATOM 0 HE3 LYS A 123 -13.489 -3.419 -4.459 1.00 1.43 H new ATOM 0 HZ1 LYS A 123 -13.269 -2.659 -6.635 1.00 1.95 H new ATOM 0 HZ2 LYS A 123 -14.011 -1.342 -5.864 1.00 1.95 H new ATOM 0 HZ3 LYS A 123 -12.346 -1.304 -6.194 1.00 1.95 H new ATOM 2022 N ILE A 124 -14.336 2.628 -0.629 1.00 0.27 N ATOM 2023 CA ILE A 124 -15.063 2.686 0.673 1.00 0.29 C ATOM 2024 C ILE A 124 -16.505 3.122 0.391 1.00 0.35 C ATOM 2025 O ILE A 124 -17.402 2.892 1.172 1.00 0.43 O ATOM 2026 CB ILE A 124 -14.360 3.640 1.649 1.00 0.29 C ATOM 2027 CG1 ILE A 124 -13.049 3.006 2.124 1.00 0.27 C ATOM 2028 CG2 ILE A 124 -15.259 3.896 2.859 1.00 0.34 C ATOM 2029 CD1 ILE A 124 -12.208 4.040 2.884 1.00 0.30 C ATOM 0 H ILE A 124 -13.663 3.375 -0.802 1.00 0.27 H new ATOM 0 HA ILE A 124 -15.068 1.705 1.149 1.00 0.29 H new ATOM 0 HB ILE A 124 -14.154 4.583 1.143 1.00 0.29 H new ATOM 0 HG12 ILE A 124 -13.261 2.153 2.769 1.00 0.27 H new ATOM 0 HG13 ILE A 124 -12.489 2.627 1.269 1.00 0.27 H new ATOM 0 HG21 ILE A 124 -14.756 4.574 3.549 1.00 0.34 H new ATOM 0 HG22 ILE A 124 -16.196 4.345 2.528 1.00 0.34 H new ATOM 0 HG23 ILE A 124 -15.467 2.953 3.364 1.00 0.34 H new ATOM 0 HD11 ILE A 124 -11.278 3.579 3.217 1.00 0.30 H new ATOM 0 HD12 ILE A 124 -11.981 4.879 2.226 1.00 0.30 H new ATOM 0 HD13 ILE A 124 -12.766 4.398 3.749 1.00 0.30 H new ATOM 2041 N GLN A 125 -16.731 3.755 -0.732 1.00 0.35 N ATOM 2042 CA GLN A 125 -18.120 4.191 -1.054 1.00 0.40 C ATOM 2043 C GLN A 125 -18.947 2.942 -1.395 1.00 0.43 C ATOM 2044 O GLN A 125 -20.110 2.846 -1.057 1.00 0.54 O ATOM 2045 CB GLN A 125 -18.119 5.172 -2.229 1.00 0.53 C ATOM 2046 CG GLN A 125 -17.655 6.551 -1.752 1.00 1.22 C ATOM 2047 CD GLN A 125 -18.777 7.226 -0.959 1.00 1.81 C ATOM 2048 OE1 GLN A 125 -19.904 6.772 -0.972 1.00 2.27 O ATOM 2049 NE2 GLN A 125 -18.515 8.300 -0.265 1.00 2.64 N ATOM 0 H GLN A 125 -16.024 3.986 -1.430 1.00 0.35 H new ATOM 0 HA GLN A 125 -18.556 4.705 -0.198 1.00 0.40 H new ATOM 0 HB2 GLN A 125 -17.460 4.809 -3.017 1.00 0.53 H new ATOM 0 HB3 GLN A 125 -19.119 5.242 -2.657 1.00 0.53 H new ATOM 0 HG2 GLN A 125 -16.766 6.451 -1.130 1.00 1.22 H new ATOM 0 HG3 GLN A 125 -17.378 7.168 -2.607 1.00 1.22 H new ATOM 0 HE21 GLN A 125 -17.569 8.682 -0.254 1.00 2.64 H new ATOM 0 HE22 GLN A 125 -19.256 8.758 0.266 1.00 2.64 H new