USER MOD reduce.3.24.130724 H: found=0, std=0, add=913, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 914 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.344 USER MOD Single : A 11 LYS NZ :NH3+ 164:sc=-0.00609 (180deg=-0.185) 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= -2.65! C(o=-2.7!,f=-2.1!) USER MOD Single : A 21 GLN : amide:sc= -0.199 K(o=-0.2,f=-1.3) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 GLN : amide:sc= -2.03 K(o=-2,f=-3.1!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -54:sc= -0.0825 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.389 USER MOD Single : A 40 GLN : amide:sc= -1.24! K(o=-1.2!,f=0) USER MOD Single : A 41 SER OG : rot -62:sc= 0.501 USER MOD Single : A 44 ASN : amide:sc= 0.837 K(o=0.84,f=-0.34) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 157:sc= -1.91! (180deg=-3.2!) USER MOD Single : A 52 SER OG : rot 172:sc=-0.00644 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.375 X(o=-0.37,f=-0.032) USER MOD Single : A 63 LYS NZ :NH3+ -148:sc= -4.24! (180deg=-7.1!) USER MOD Single : A 66 THR OG1 : rot 77:sc= 0.663 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -163:sc= -0.0225 (180deg=-0.412) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 71:sc= 1.22 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 75:sc= 1.09 USER MOD Single : A 87 CYS SG : rot 83:sc= -0.913! USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= -0.39 USER MOD Single : A 95 MET CE :methyl 153:sc= -0.268 (180deg=-1.61!) USER MOD Single : A 97 LYS NZ :NH3+ -167:sc= -0.0132 (180deg=-0.374) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 78:sc= 0.571 USER MOD Single : A 112 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 117 LYS NZ :NH3+ 170:sc= -0.144 (180deg=-0.356) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 123 LYS NZ :NH3+ -156:sc= -0.0988 (180deg=-0.694) USER MOD Single : A 125 GLN : amide:sc= -0.172 K(o=-0.17,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 128 N PRO A 8 10.375 6.513 -5.265 1.00 0.67 N ATOM 129 CA PRO A 8 9.990 6.014 -6.600 1.00 0.58 C ATOM 130 C PRO A 8 8.590 6.522 -6.971 1.00 0.52 C ATOM 131 O PRO A 8 8.029 7.369 -6.304 1.00 0.58 O ATOM 132 CB PRO A 8 10.018 4.470 -6.473 1.00 0.62 C ATOM 133 CG PRO A 8 10.495 4.129 -5.032 1.00 0.71 C ATOM 134 CD PRO A 8 10.616 5.457 -4.256 1.00 0.75 C ATOM 0 HA PRO A 8 10.660 6.360 -7.387 1.00 0.58 H new ATOM 0 HB2 PRO A 8 9.029 4.052 -6.659 1.00 0.62 H new ATOM 0 HB3 PRO A 8 10.691 4.036 -7.213 1.00 0.62 H new ATOM 0 HG2 PRO A 8 9.786 3.462 -4.542 1.00 0.71 H new ATOM 0 HG3 PRO A 8 11.454 3.612 -5.058 1.00 0.71 H new ATOM 0 HD2 PRO A 8 9.887 5.510 -3.448 1.00 0.75 H new ATOM 0 HD3 PRO A 8 11.602 5.561 -3.803 1.00 0.75 H new ATOM 142 N THR A 9 8.030 6.004 -8.036 1.00 0.48 N ATOM 143 CA THR A 9 6.666 6.437 -8.481 1.00 0.46 C ATOM 144 C THR A 9 5.693 5.266 -8.350 1.00 0.43 C ATOM 145 O THR A 9 6.084 4.139 -8.118 1.00 0.44 O ATOM 146 CB THR A 9 6.728 6.859 -9.955 1.00 0.47 C ATOM 147 OG1 THR A 9 7.567 5.960 -10.667 1.00 0.72 O ATOM 148 CG2 THR A 9 7.289 8.272 -10.067 1.00 0.73 C ATOM 0 H THR A 9 8.463 5.292 -8.623 1.00 0.48 H new ATOM 0 HA THR A 9 6.331 7.270 -7.864 1.00 0.46 H new ATOM 0 HB THR A 9 5.723 6.838 -10.377 1.00 0.47 H new ATOM 0 HG1 THR A 9 7.607 6.227 -11.609 1.00 0.72 H new ATOM 0 HG21 THR A 9 7.330 8.565 -11.116 1.00 0.73 H new ATOM 0 HG22 THR A 9 6.646 8.963 -9.522 1.00 0.73 H new ATOM 0 HG23 THR A 9 8.293 8.300 -9.643 1.00 0.73 H new ATOM 156 N LEU A 10 4.429 5.524 -8.534 1.00 0.41 N ATOM 157 CA LEU A 10 3.436 4.426 -8.461 1.00 0.40 C ATOM 158 C LEU A 10 3.616 3.547 -9.690 1.00 0.39 C ATOM 159 O LEU A 10 3.334 2.367 -9.665 1.00 0.39 O ATOM 160 CB LEU A 10 2.011 4.993 -8.454 1.00 0.41 C ATOM 161 CG LEU A 10 0.985 3.847 -8.563 1.00 0.37 C ATOM 162 CD1 LEU A 10 1.233 2.802 -7.465 1.00 0.41 C ATOM 163 CD2 LEU A 10 -0.421 4.417 -8.401 1.00 0.41 C ATOM 0 H LEU A 10 4.044 6.448 -8.731 1.00 0.41 H new ATOM 0 HA LEU A 10 3.587 3.854 -7.546 1.00 0.40 H new ATOM 0 HB2 LEU A 10 1.841 5.558 -7.538 1.00 0.41 H new ATOM 0 HB3 LEU A 10 1.883 5.687 -9.285 1.00 0.41 H new ATOM 0 HG LEU A 10 1.088 3.370 -9.538 1.00 0.37 H new ATOM 0 HD11 LEU A 10 0.501 1.999 -7.555 1.00 0.41 H new ATOM 0 HD12 LEU A 10 2.237 2.392 -7.573 1.00 0.41 H new ATOM 0 HD13 LEU A 10 1.137 3.273 -6.487 1.00 0.41 H new ATOM 0 HD21 LEU A 10 -1.151 3.611 -8.477 1.00 0.41 H new ATOM 0 HD22 LEU A 10 -0.509 4.896 -7.426 1.00 0.41 H new ATOM 0 HD23 LEU A 10 -0.608 5.152 -9.184 1.00 0.41 H new ATOM 175 N LYS A 11 4.095 4.099 -10.774 1.00 0.42 N ATOM 176 CA LYS A 11 4.293 3.276 -11.989 1.00 0.44 C ATOM 177 C LYS A 11 5.355 2.225 -11.698 1.00 0.43 C ATOM 178 O LYS A 11 5.339 1.142 -12.248 1.00 0.45 O ATOM 179 CB LYS A 11 4.764 4.186 -13.129 1.00 0.49 C ATOM 180 CG LYS A 11 4.844 3.391 -14.434 1.00 0.83 C ATOM 181 CD LYS A 11 5.387 4.294 -15.545 1.00 0.98 C ATOM 182 CE LYS A 11 5.374 3.538 -16.875 1.00 1.64 C ATOM 183 NZ LYS A 11 3.972 3.422 -17.367 1.00 2.31 N ATOM 0 H LYS A 11 4.355 5.081 -10.864 1.00 0.42 H new ATOM 0 HA LYS A 11 3.362 2.786 -12.275 1.00 0.44 H new ATOM 0 HB2 LYS A 11 4.076 5.023 -13.245 1.00 0.49 H new ATOM 0 HB3 LYS A 11 5.740 4.607 -12.890 1.00 0.49 H new ATOM 0 HG2 LYS A 11 5.492 2.524 -14.306 1.00 0.83 H new ATOM 0 HG3 LYS A 11 3.858 3.015 -14.705 1.00 0.83 H new ATOM 0 HD2 LYS A 11 4.781 5.196 -15.622 1.00 0.98 H new ATOM 0 HD3 LYS A 11 6.402 4.611 -15.306 1.00 0.98 H new ATOM 0 HE2 LYS A 11 5.986 4.062 -17.609 1.00 1.64 H new ATOM 0 HE3 LYS A 11 5.809 2.547 -16.746 1.00 1.64 H new ATOM 0 HZ1 LYS A 11 3.978 3.161 -18.374 1.00 2.31 H new ATOM 0 HZ2 LYS A 11 3.472 2.691 -16.822 1.00 2.31 H new ATOM 0 HZ3 LYS A 11 3.486 4.334 -17.249 1.00 2.31 H new ATOM 197 N ASP A 12 6.294 2.543 -10.848 1.00 0.43 N ATOM 198 CA ASP A 12 7.365 1.561 -10.547 1.00 0.45 C ATOM 199 C ASP A 12 6.731 0.276 -10.006 1.00 0.44 C ATOM 200 O ASP A 12 7.296 -0.797 -10.091 1.00 0.46 O ATOM 201 CB ASP A 12 8.312 2.147 -9.499 1.00 0.48 C ATOM 202 CG ASP A 12 8.933 3.436 -10.041 1.00 1.16 C ATOM 203 OD1 ASP A 12 8.876 3.637 -11.243 1.00 1.94 O ATOM 204 OD2 ASP A 12 9.455 4.200 -9.245 1.00 1.88 O ATOM 0 H ASP A 12 6.363 3.433 -10.355 1.00 0.43 H new ATOM 0 HA ASP A 12 7.926 1.337 -11.455 1.00 0.45 H new ATOM 0 HB2 ASP A 12 7.769 2.352 -8.576 1.00 0.48 H new ATOM 0 HB3 ASP A 12 9.094 1.427 -9.256 1.00 0.48 H new ATOM 209 N ALA A 13 5.556 0.388 -9.426 1.00 0.43 N ATOM 210 CA ALA A 13 4.882 -0.813 -8.854 1.00 0.45 C ATOM 211 C ALA A 13 4.668 -1.860 -9.947 1.00 0.49 C ATOM 212 O ALA A 13 4.737 -3.048 -9.702 1.00 0.57 O ATOM 213 CB ALA A 13 3.529 -0.405 -8.268 1.00 0.44 C ATOM 0 H ALA A 13 5.039 1.262 -9.327 1.00 0.43 H new ATOM 0 HA ALA A 13 5.509 -1.237 -8.070 1.00 0.45 H new ATOM 0 HB1 ALA A 13 3.035 -1.282 -7.849 1.00 0.44 H new ATOM 0 HB2 ALA A 13 3.681 0.336 -7.483 1.00 0.44 H new ATOM 0 HB3 ALA A 13 2.906 0.022 -9.054 1.00 0.44 H new ATOM 219 N TYR A 14 4.405 -1.432 -11.149 1.00 0.54 N ATOM 220 CA TYR A 14 4.184 -2.407 -12.253 1.00 0.60 C ATOM 221 C TYR A 14 5.517 -3.053 -12.637 1.00 0.67 C ATOM 222 O TYR A 14 5.635 -4.262 -12.706 1.00 1.15 O ATOM 223 CB TYR A 14 3.598 -1.679 -13.465 1.00 0.61 C ATOM 224 CG TYR A 14 2.175 -1.265 -13.167 1.00 0.58 C ATOM 225 CD1 TYR A 14 1.924 -0.116 -12.407 1.00 1.32 C ATOM 226 CD2 TYR A 14 1.105 -2.031 -13.649 1.00 1.37 C ATOM 227 CE1 TYR A 14 0.606 0.268 -12.129 1.00 1.33 C ATOM 228 CE2 TYR A 14 -0.213 -1.647 -13.371 1.00 1.41 C ATOM 229 CZ TYR A 14 -0.462 -0.498 -12.611 1.00 0.70 C ATOM 230 OH TYR A 14 -1.761 -0.120 -12.337 1.00 0.82 O ATOM 0 H TYR A 14 4.333 -0.450 -11.415 1.00 0.54 H new ATOM 0 HA TYR A 14 3.489 -3.180 -11.924 1.00 0.60 H new ATOM 0 HB2 TYR A 14 4.201 -0.802 -13.702 1.00 0.61 H new ATOM 0 HB3 TYR A 14 3.623 -2.329 -14.340 1.00 0.61 H new ATOM 0 HD1 TYR A 14 2.748 0.475 -12.035 1.00 1.32 H new ATOM 0 HD2 TYR A 14 1.297 -2.918 -14.235 1.00 1.37 H new ATOM 0 HE1 TYR A 14 0.414 1.155 -11.543 1.00 1.33 H new ATOM 0 HE2 TYR A 14 -1.037 -2.237 -13.743 1.00 1.41 H new ATOM 0 HH TYR A 14 -2.381 -0.759 -12.746 1.00 0.82 H new ATOM 240 N GLU A 15 6.522 -2.258 -12.894 1.00 0.57 N ATOM 241 CA GLU A 15 7.847 -2.817 -13.282 1.00 0.60 C ATOM 242 C GLU A 15 8.259 -3.928 -12.284 1.00 0.53 C ATOM 243 O GLU A 15 8.531 -3.623 -11.140 1.00 0.57 O ATOM 244 CB GLU A 15 8.886 -1.690 -13.234 1.00 0.68 C ATOM 245 CG GLU A 15 10.128 -2.094 -14.036 1.00 0.89 C ATOM 246 CD GLU A 15 9.804 -2.069 -15.532 1.00 1.59 C ATOM 247 OE1 GLU A 15 9.188 -1.111 -15.969 1.00 2.12 O ATOM 248 OE2 GLU A 15 10.180 -3.008 -16.215 1.00 2.32 O ATOM 0 H GLU A 15 6.480 -1.240 -12.851 1.00 0.57 H new ATOM 0 HA GLU A 15 7.789 -3.238 -14.286 1.00 0.60 H new ATOM 0 HB2 GLU A 15 8.461 -0.773 -13.642 1.00 0.68 H new ATOM 0 HB3 GLU A 15 9.162 -1.481 -12.200 1.00 0.68 H new ATOM 0 HG2 GLU A 15 10.950 -1.412 -13.820 1.00 0.89 H new ATOM 0 HG3 GLU A 15 10.455 -3.091 -13.741 1.00 0.89 H new ATOM 255 N PRO A 16 8.304 -5.184 -12.711 1.00 0.51 N ATOM 256 CA PRO A 16 8.694 -6.280 -11.800 1.00 0.48 C ATOM 257 C PRO A 16 10.126 -6.064 -11.288 1.00 0.51 C ATOM 258 O PRO A 16 10.844 -5.200 -11.749 1.00 0.76 O ATOM 259 CB PRO A 16 8.594 -7.569 -12.652 1.00 0.53 C ATOM 260 CG PRO A 16 8.111 -7.156 -14.071 1.00 0.64 C ATOM 261 CD PRO A 16 7.979 -5.619 -14.090 1.00 0.60 C ATOM 0 HA PRO A 16 8.055 -6.333 -10.918 1.00 0.48 H new ATOM 0 HB2 PRO A 16 9.561 -8.068 -12.707 1.00 0.53 H new ATOM 0 HB3 PRO A 16 7.897 -8.274 -12.200 1.00 0.53 H new ATOM 0 HG2 PRO A 16 8.820 -7.489 -14.829 1.00 0.64 H new ATOM 0 HG3 PRO A 16 7.155 -7.625 -14.302 1.00 0.64 H new ATOM 0 HD2 PRO A 16 8.661 -5.174 -14.814 1.00 0.60 H new ATOM 0 HD3 PRO A 16 6.971 -5.314 -14.372 1.00 0.60 H new ATOM 269 N LEU A 17 10.533 -6.858 -10.334 1.00 0.63 N ATOM 270 CA LEU A 17 11.905 -6.738 -9.765 1.00 0.74 C ATOM 271 C LEU A 17 12.813 -7.788 -10.426 1.00 0.79 C ATOM 272 O LEU A 17 12.567 -8.216 -11.537 1.00 1.03 O ATOM 273 CB LEU A 17 11.805 -6.985 -8.227 1.00 0.79 C ATOM 274 CG LEU A 17 12.198 -5.706 -7.452 1.00 1.26 C ATOM 275 CD1 LEU A 17 11.893 -5.901 -5.968 1.00 1.12 C ATOM 276 CD2 LEU A 17 13.700 -5.411 -7.628 1.00 2.28 C ATOM 0 H LEU A 17 9.963 -7.596 -9.919 1.00 0.63 H new ATOM 0 HA LEU A 17 12.327 -5.751 -9.951 1.00 0.74 H new ATOM 0 HB2 LEU A 17 10.789 -7.280 -7.964 1.00 0.79 H new ATOM 0 HB3 LEU A 17 12.460 -7.808 -7.940 1.00 0.79 H new ATOM 0 HG LEU A 17 11.625 -4.866 -7.844 1.00 1.26 H new ATOM 0 HD11 LEU A 17 12.169 -5.001 -5.419 1.00 1.12 H new ATOM 0 HD12 LEU A 17 10.828 -6.094 -5.838 1.00 1.12 H new ATOM 0 HD13 LEU A 17 12.464 -6.748 -5.587 1.00 1.12 H new ATOM 0 HD21 LEU A 17 13.960 -4.508 -7.076 1.00 2.28 H new ATOM 0 HD22 LEU A 17 14.283 -6.250 -7.247 1.00 2.28 H new ATOM 0 HD23 LEU A 17 13.921 -5.267 -8.686 1.00 2.28 H new ATOM 288 N TYR A 18 13.815 -8.253 -9.716 1.00 0.78 N ATOM 289 CA TYR A 18 14.715 -9.325 -10.248 1.00 0.88 C ATOM 290 C TYR A 18 14.838 -10.415 -9.154 1.00 0.76 C ATOM 291 O TYR A 18 14.786 -10.093 -7.984 1.00 0.63 O ATOM 292 CB TYR A 18 16.106 -8.719 -10.569 1.00 1.09 C ATOM 293 CG TYR A 18 16.338 -8.712 -12.068 1.00 0.78 C ATOM 294 CD1 TYR A 18 15.418 -8.076 -12.907 1.00 1.46 C ATOM 295 CD2 TYR A 18 17.459 -9.350 -12.613 1.00 1.41 C ATOM 296 CE1 TYR A 18 15.614 -8.074 -14.290 1.00 1.64 C ATOM 297 CE2 TYR A 18 17.656 -9.350 -13.999 1.00 1.67 C ATOM 298 CZ TYR A 18 16.733 -8.712 -14.838 1.00 1.40 C ATOM 299 OH TYR A 18 16.928 -8.711 -16.204 1.00 1.95 O ATOM 0 H TYR A 18 14.050 -7.930 -8.777 1.00 0.78 H new ATOM 0 HA TYR A 18 14.313 -9.757 -11.164 1.00 0.88 H new ATOM 0 HB2 TYR A 18 16.168 -7.703 -10.179 1.00 1.09 H new ATOM 0 HB3 TYR A 18 16.886 -9.298 -10.075 1.00 1.09 H new ATOM 0 HD1 TYR A 18 14.554 -7.585 -12.485 1.00 1.46 H new ATOM 0 HD2 TYR A 18 18.170 -9.841 -11.965 1.00 1.41 H new ATOM 0 HE1 TYR A 18 14.903 -7.581 -14.936 1.00 1.64 H new ATOM 0 HE2 TYR A 18 18.520 -9.842 -14.422 1.00 1.67 H new ATOM 0 HH TYR A 18 17.752 -9.196 -16.417 1.00 1.95 H new ATOM 309 N PRO A 19 14.996 -11.670 -9.539 1.00 0.88 N ATOM 310 CA PRO A 19 15.119 -12.758 -8.546 1.00 0.87 C ATOM 311 C PRO A 19 16.325 -12.501 -7.629 1.00 0.80 C ATOM 312 O PRO A 19 16.239 -12.601 -6.422 1.00 0.77 O ATOM 313 CB PRO A 19 15.318 -14.044 -9.389 1.00 1.11 C ATOM 314 CG PRO A 19 15.380 -13.618 -10.885 1.00 1.24 C ATOM 315 CD PRO A 19 15.067 -12.109 -10.952 1.00 1.09 C ATOM 0 HA PRO A 19 14.247 -12.836 -7.896 1.00 0.87 H new ATOM 0 HB2 PRO A 19 16.236 -14.555 -9.098 1.00 1.11 H new ATOM 0 HB3 PRO A 19 14.498 -14.742 -9.223 1.00 1.11 H new ATOM 0 HG2 PRO A 19 16.366 -13.824 -11.301 1.00 1.24 H new ATOM 0 HG3 PRO A 19 14.660 -14.185 -11.475 1.00 1.24 H new ATOM 0 HD2 PRO A 19 15.843 -11.569 -11.495 1.00 1.09 H new ATOM 0 HD3 PRO A 19 14.127 -11.923 -11.471 1.00 1.09 H new ATOM 323 N GLN A 20 17.450 -12.192 -8.207 1.00 0.80 N ATOM 324 CA GLN A 20 18.670 -11.950 -7.383 1.00 0.77 C ATOM 325 C GLN A 20 18.480 -10.695 -6.521 1.00 0.68 C ATOM 326 O GLN A 20 19.004 -10.599 -5.430 1.00 0.67 O ATOM 327 CB GLN A 20 19.889 -11.773 -8.298 1.00 0.85 C ATOM 328 CG GLN A 20 20.394 -13.142 -8.762 1.00 1.41 C ATOM 329 CD GLN A 20 19.257 -13.908 -9.443 1.00 1.86 C ATOM 330 OE1 GLN A 20 18.714 -14.838 -8.881 1.00 2.60 O ATOM 331 NE2 GLN A 20 18.873 -13.554 -10.638 1.00 2.30 N ATOM 0 H GLN A 20 17.580 -12.096 -9.214 1.00 0.80 H new ATOM 0 HA GLN A 20 18.834 -12.808 -6.730 1.00 0.77 H new ATOM 0 HB2 GLN A 20 19.622 -11.163 -9.161 1.00 0.85 H new ATOM 0 HB3 GLN A 20 20.680 -11.245 -7.766 1.00 0.85 H new ATOM 0 HG2 GLN A 20 21.227 -13.018 -9.454 1.00 1.41 H new ATOM 0 HG3 GLN A 20 20.769 -13.710 -7.910 1.00 1.41 H new ATOM 0 HE21 GLN A 20 19.329 -12.773 -11.110 1.00 2.30 H new ATOM 0 HE22 GLN A 20 18.117 -14.058 -11.101 1.00 2.30 H new ATOM 340 N GLN A 21 17.739 -9.733 -6.997 1.00 0.64 N ATOM 341 CA GLN A 21 17.531 -8.492 -6.196 1.00 0.59 C ATOM 342 C GLN A 21 16.654 -8.803 -4.980 1.00 0.50 C ATOM 343 O GLN A 21 16.947 -8.398 -3.872 1.00 0.47 O ATOM 344 CB GLN A 21 16.841 -7.431 -7.061 1.00 0.64 C ATOM 345 CG GLN A 21 17.856 -6.804 -8.019 1.00 1.02 C ATOM 346 CD GLN A 21 18.811 -5.900 -7.234 1.00 1.57 C ATOM 347 OE1 GLN A 21 18.405 -5.225 -6.309 1.00 2.34 O ATOM 348 NE2 GLN A 21 20.073 -5.859 -7.566 1.00 1.94 N ATOM 0 H GLN A 21 17.270 -9.751 -7.902 1.00 0.64 H new ATOM 0 HA GLN A 21 18.498 -8.117 -5.860 1.00 0.59 H new ATOM 0 HB2 GLN A 21 16.025 -7.883 -7.625 1.00 0.64 H new ATOM 0 HB3 GLN A 21 16.402 -6.661 -6.427 1.00 0.64 H new ATOM 0 HG2 GLN A 21 18.417 -7.585 -8.532 1.00 1.02 H new ATOM 0 HG3 GLN A 21 17.339 -6.226 -8.785 1.00 1.02 H new ATOM 0 HE21 GLN A 21 20.415 -6.425 -8.342 1.00 1.94 H new ATOM 0 HE22 GLN A 21 20.717 -5.261 -7.049 1.00 1.94 H new ATOM 357 N LEU A 22 15.574 -9.506 -5.177 1.00 0.52 N ATOM 358 CA LEU A 22 14.677 -9.825 -4.036 1.00 0.46 C ATOM 359 C LEU A 22 15.419 -10.687 -3.012 1.00 0.42 C ATOM 360 O LEU A 22 15.199 -10.569 -1.821 1.00 0.40 O ATOM 361 CB LEU A 22 13.450 -10.581 -4.560 1.00 0.52 C ATOM 362 CG LEU A 22 12.505 -10.954 -3.406 1.00 0.59 C ATOM 363 CD1 LEU A 22 12.002 -9.687 -2.696 1.00 0.52 C ATOM 364 CD2 LEU A 22 11.315 -11.728 -3.980 1.00 0.93 C ATOM 0 H LEU A 22 15.275 -9.873 -6.080 1.00 0.52 H new ATOM 0 HA LEU A 22 14.360 -8.901 -3.552 1.00 0.46 H new ATOM 0 HB2 LEU A 22 12.920 -9.964 -5.285 1.00 0.52 H new ATOM 0 HB3 LEU A 22 13.769 -11.484 -5.081 1.00 0.52 H new ATOM 0 HG LEU A 22 13.040 -11.567 -2.681 1.00 0.59 H new ATOM 0 HD11 LEU A 22 11.334 -9.967 -1.881 1.00 0.52 H new ATOM 0 HD12 LEU A 22 12.851 -9.133 -2.295 1.00 0.52 H new ATOM 0 HD13 LEU A 22 11.464 -9.061 -3.407 1.00 0.52 H new ATOM 0 HD21 LEU A 22 10.635 -12.000 -3.173 1.00 0.93 H new ATOM 0 HD22 LEU A 22 10.789 -11.104 -4.703 1.00 0.93 H new ATOM 0 HD23 LEU A 22 11.673 -12.632 -4.473 1.00 0.93 H new ATOM 376 N GLU A 23 16.283 -11.570 -3.448 1.00 0.44 N ATOM 377 CA GLU A 23 16.996 -12.436 -2.461 1.00 0.42 C ATOM 378 C GLU A 23 18.089 -11.618 -1.767 1.00 0.38 C ATOM 379 O GLU A 23 18.436 -11.865 -0.629 1.00 0.37 O ATOM 380 CB GLU A 23 17.613 -13.643 -3.174 1.00 0.47 C ATOM 381 CG GLU A 23 16.514 -14.634 -3.569 1.00 1.13 C ATOM 382 CD GLU A 23 16.057 -15.415 -2.335 1.00 1.66 C ATOM 383 OE1 GLU A 23 16.901 -16.024 -1.698 1.00 2.30 O ATOM 384 OE2 GLU A 23 14.872 -15.392 -2.049 1.00 2.28 O ATOM 0 H GLU A 23 16.522 -11.727 -4.427 1.00 0.44 H new ATOM 0 HA GLU A 23 16.288 -12.797 -1.715 1.00 0.42 H new ATOM 0 HB2 GLU A 23 18.154 -13.314 -4.061 1.00 0.47 H new ATOM 0 HB3 GLU A 23 18.337 -14.131 -2.521 1.00 0.47 H new ATOM 0 HG2 GLU A 23 15.670 -14.101 -4.007 1.00 1.13 H new ATOM 0 HG3 GLU A 23 16.886 -15.321 -4.329 1.00 1.13 H new ATOM 391 N ILE A 24 18.632 -10.642 -2.446 1.00 0.39 N ATOM 392 CA ILE A 24 19.697 -9.804 -1.830 1.00 0.39 C ATOM 393 C ILE A 24 19.110 -9.079 -0.611 1.00 0.36 C ATOM 394 O ILE A 24 19.659 -9.122 0.472 1.00 0.37 O ATOM 395 CB ILE A 24 20.198 -8.791 -2.882 1.00 0.44 C ATOM 396 CG1 ILE A 24 21.235 -9.467 -3.798 1.00 0.52 C ATOM 397 CG2 ILE A 24 20.841 -7.578 -2.200 1.00 0.48 C ATOM 398 CD1 ILE A 24 21.410 -8.660 -5.095 1.00 0.89 C ATOM 0 H ILE A 24 18.382 -10.390 -3.402 1.00 0.39 H new ATOM 0 HA ILE A 24 20.536 -10.418 -1.503 1.00 0.39 H new ATOM 0 HB ILE A 24 19.345 -8.454 -3.472 1.00 0.44 H new ATOM 0 HG12 ILE A 24 22.191 -9.547 -3.280 1.00 0.52 H new ATOM 0 HG13 ILE A 24 20.915 -10.482 -4.034 1.00 0.52 H new ATOM 0 HG21 ILE A 24 21.188 -6.876 -2.958 1.00 0.48 H new ATOM 0 HG22 ILE A 24 20.107 -7.088 -1.561 1.00 0.48 H new ATOM 0 HG23 ILE A 24 21.687 -7.906 -1.596 1.00 0.48 H new ATOM 0 HD11 ILE A 24 22.146 -9.150 -5.732 1.00 0.89 H new ATOM 0 HD12 ILE A 24 20.456 -8.603 -5.620 1.00 0.89 H new ATOM 0 HD13 ILE A 24 21.752 -7.653 -4.854 1.00 0.89 H new ATOM 410 N LEU A 25 18.000 -8.413 -0.780 1.00 0.34 N ATOM 411 CA LEU A 25 17.386 -7.690 0.371 1.00 0.34 C ATOM 412 C LEU A 25 17.038 -8.696 1.472 1.00 0.32 C ATOM 413 O LEU A 25 17.053 -8.378 2.645 1.00 0.34 O ATOM 414 CB LEU A 25 16.110 -6.975 -0.089 1.00 0.36 C ATOM 415 CG LEU A 25 16.455 -5.854 -1.086 1.00 0.38 C ATOM 416 CD1 LEU A 25 15.207 -5.484 -1.893 1.00 0.44 C ATOM 417 CD2 LEU A 25 16.953 -4.606 -0.341 1.00 0.41 C ATOM 0 H LEU A 25 17.493 -8.338 -1.662 1.00 0.34 H new ATOM 0 HA LEU A 25 18.092 -6.954 0.756 1.00 0.34 H new ATOM 0 HB2 LEU A 25 15.433 -7.690 -0.556 1.00 0.36 H new ATOM 0 HB3 LEU A 25 15.589 -6.557 0.772 1.00 0.36 H new ATOM 0 HG LEU A 25 17.241 -6.212 -1.752 1.00 0.38 H new ATOM 0 HD11 LEU A 25 15.452 -4.690 -2.599 1.00 0.44 H new ATOM 0 HD12 LEU A 25 14.854 -6.359 -2.439 1.00 0.44 H new ATOM 0 HD13 LEU A 25 14.425 -5.139 -1.216 1.00 0.44 H new ATOM 0 HD21 LEU A 25 17.192 -3.824 -1.061 1.00 0.41 H new ATOM 0 HD22 LEU A 25 16.175 -4.251 0.335 1.00 0.41 H new ATOM 0 HD23 LEU A 25 17.845 -4.857 0.232 1.00 0.41 H new ATOM 429 N ARG A 26 16.728 -9.908 1.102 1.00 0.31 N ATOM 430 CA ARG A 26 16.381 -10.937 2.120 1.00 0.33 C ATOM 431 C ARG A 26 17.664 -11.449 2.775 1.00 0.31 C ATOM 432 O ARG A 26 17.694 -11.746 3.953 1.00 0.32 O ATOM 433 CB ARG A 26 15.650 -12.100 1.445 1.00 0.38 C ATOM 434 CG ARG A 26 15.131 -13.074 2.512 1.00 0.69 C ATOM 435 CD ARG A 26 14.108 -14.054 1.892 1.00 1.00 C ATOM 436 NE ARG A 26 14.242 -15.411 2.522 1.00 1.36 N ATOM 437 CZ ARG A 26 15.364 -16.078 2.483 1.00 1.86 C ATOM 438 NH1 ARG A 26 16.379 -15.620 1.801 1.00 2.36 N ATOM 439 NH2 ARG A 26 15.462 -17.222 3.102 1.00 2.46 N ATOM 0 H ARG A 26 16.700 -10.230 0.135 1.00 0.31 H new ATOM 0 HA ARG A 26 15.733 -10.498 2.879 1.00 0.33 H new ATOM 0 HB2 ARG A 26 14.819 -11.723 0.848 1.00 0.38 H new ATOM 0 HB3 ARG A 26 16.323 -12.618 0.762 1.00 0.38 H new ATOM 0 HG2 ARG A 26 15.964 -13.631 2.942 1.00 0.69 H new ATOM 0 HG3 ARG A 26 14.665 -12.518 3.326 1.00 0.69 H new ATOM 0 HD2 ARG A 26 13.096 -13.676 2.038 1.00 1.00 H new ATOM 0 HD3 ARG A 26 14.269 -14.127 0.816 1.00 1.00 H new ATOM 0 HE ARG A 26 13.436 -15.822 2.992 1.00 1.36 H new ATOM 0 HH11 ARG A 26 16.297 -14.738 1.296 1.00 2.36 H new ATOM 0 HH12 ARG A 26 17.253 -16.145 1.774 1.00 2.36 H new ATOM 0 HH21 ARG A 26 14.663 -17.594 3.615 1.00 2.46 H new ATOM 0 HH22 ARG A 26 16.338 -17.744 3.073 1.00 2.46 H new ATOM 453 N GLN A 27 18.732 -11.533 2.027 1.00 0.31 N ATOM 454 CA GLN A 27 20.019 -12.001 2.612 1.00 0.32 C ATOM 455 C GLN A 27 20.392 -11.085 3.774 1.00 0.31 C ATOM 456 O GLN A 27 20.801 -11.530 4.828 1.00 0.33 O ATOM 457 CB GLN A 27 21.112 -11.925 1.541 1.00 0.33 C ATOM 458 CG GLN A 27 22.358 -12.667 2.031 1.00 0.99 C ATOM 459 CD GLN A 27 23.518 -12.415 1.065 1.00 1.48 C ATOM 460 OE1 GLN A 27 24.412 -11.646 1.358 1.00 2.02 O ATOM 461 NE2 GLN A 27 23.542 -13.036 -0.083 1.00 2.23 N ATOM 0 H GLN A 27 18.767 -11.297 1.035 1.00 0.31 H new ATOM 0 HA GLN A 27 19.919 -13.028 2.964 1.00 0.32 H new ATOM 0 HB2 GLN A 27 20.755 -12.366 0.610 1.00 0.33 H new ATOM 0 HB3 GLN A 27 21.356 -10.884 1.328 1.00 0.33 H new ATOM 0 HG2 GLN A 27 22.625 -12.329 3.032 1.00 0.99 H new ATOM 0 HG3 GLN A 27 22.154 -13.736 2.100 1.00 0.99 H new ATOM 0 HE21 GLN A 27 22.792 -13.682 -0.329 1.00 2.23 H new ATOM 0 HE22 GLN A 27 24.311 -12.876 -0.734 1.00 2.23 H new ATOM 470 N GLN A 28 20.243 -9.801 3.589 1.00 0.30 N ATOM 471 CA GLN A 28 20.576 -8.843 4.678 1.00 0.31 C ATOM 472 C GLN A 28 19.576 -9.032 5.822 1.00 0.30 C ATOM 473 O GLN A 28 19.917 -8.902 6.980 1.00 0.34 O ATOM 474 CB GLN A 28 20.493 -7.402 4.136 1.00 0.33 C ATOM 475 CG GLN A 28 21.850 -6.972 3.569 1.00 1.10 C ATOM 476 CD GLN A 28 22.299 -7.965 2.496 1.00 1.61 C ATOM 477 OE1 GLN A 28 21.601 -8.185 1.526 1.00 2.28 O ATOM 478 NE2 GLN A 28 23.443 -8.577 2.630 1.00 2.28 N ATOM 0 H GLN A 28 19.904 -9.375 2.727 1.00 0.30 H new ATOM 0 HA GLN A 28 21.587 -9.025 5.043 1.00 0.31 H new ATOM 0 HB2 GLN A 28 19.730 -7.341 3.360 1.00 0.33 H new ATOM 0 HB3 GLN A 28 20.192 -6.722 4.933 1.00 0.33 H new ATOM 0 HG2 GLN A 28 21.777 -5.971 3.144 1.00 1.10 H new ATOM 0 HG3 GLN A 28 22.590 -6.925 4.368 1.00 1.10 H new ATOM 0 HE21 GLN A 28 24.028 -8.392 3.445 1.00 2.28 H new ATOM 0 HE22 GLN A 28 23.752 -9.241 1.920 1.00 2.28 H new ATOM 487 N VAL A 29 18.345 -9.339 5.511 1.00 0.27 N ATOM 488 CA VAL A 29 17.346 -9.532 6.597 1.00 0.28 C ATOM 489 C VAL A 29 17.675 -10.822 7.355 1.00 0.30 C ATOM 490 O VAL A 29 17.777 -10.836 8.566 1.00 0.33 O ATOM 491 CB VAL A 29 15.946 -9.630 5.983 1.00 0.27 C ATOM 492 CG1 VAL A 29 14.941 -10.087 7.043 1.00 0.30 C ATOM 493 CG2 VAL A 29 15.533 -8.259 5.443 1.00 0.27 C ATOM 0 H VAL A 29 17.992 -9.463 4.562 1.00 0.27 H new ATOM 0 HA VAL A 29 17.376 -8.689 7.287 1.00 0.28 H new ATOM 0 HB VAL A 29 15.960 -10.356 5.170 1.00 0.27 H new ATOM 0 HG11 VAL A 29 13.948 -10.154 6.598 1.00 0.30 H new ATOM 0 HG12 VAL A 29 15.234 -11.065 7.425 1.00 0.30 H new ATOM 0 HG13 VAL A 29 14.924 -9.368 7.862 1.00 0.30 H new ATOM 0 HG21 VAL A 29 14.537 -8.325 5.005 1.00 0.27 H new ATOM 0 HG22 VAL A 29 15.524 -7.535 6.258 1.00 0.27 H new ATOM 0 HG23 VAL A 29 16.244 -7.939 4.681 1.00 0.27 H new ATOM 503 N VAL A 30 17.831 -11.907 6.649 1.00 0.31 N ATOM 504 CA VAL A 30 18.142 -13.200 7.316 1.00 0.35 C ATOM 505 C VAL A 30 19.505 -13.122 8.003 1.00 0.37 C ATOM 506 O VAL A 30 19.674 -13.571 9.119 1.00 0.42 O ATOM 507 CB VAL A 30 18.172 -14.305 6.262 1.00 0.35 C ATOM 508 CG1 VAL A 30 18.482 -15.643 6.928 1.00 0.40 C ATOM 509 CG2 VAL A 30 16.812 -14.380 5.571 1.00 0.35 C ATOM 0 H VAL A 30 17.756 -11.953 5.633 1.00 0.31 H new ATOM 0 HA VAL A 30 17.379 -13.414 8.064 1.00 0.35 H new ATOM 0 HB VAL A 30 18.945 -14.084 5.526 1.00 0.35 H new ATOM 0 HG11 VAL A 30 18.503 -16.429 6.173 1.00 0.40 H new ATOM 0 HG12 VAL A 30 19.453 -15.588 7.421 1.00 0.40 H new ATOM 0 HG13 VAL A 30 17.712 -15.869 7.666 1.00 0.40 H new ATOM 0 HG21 VAL A 30 16.830 -15.168 4.818 1.00 0.35 H new ATOM 0 HG22 VAL A 30 16.041 -14.601 6.309 1.00 0.35 H new ATOM 0 HG23 VAL A 30 16.594 -13.425 5.092 1.00 0.35 H new ATOM 519 N SER A 31 20.482 -12.574 7.340 1.00 0.36 N ATOM 520 CA SER A 31 21.836 -12.490 7.956 1.00 0.39 C ATOM 521 C SER A 31 21.779 -11.660 9.243 1.00 0.42 C ATOM 522 O SER A 31 22.557 -11.866 10.154 1.00 0.47 O ATOM 523 CB SER A 31 22.812 -11.847 6.969 1.00 0.38 C ATOM 524 OG SER A 31 24.097 -11.757 7.569 1.00 1.36 O ATOM 0 H SER A 31 20.404 -12.182 6.402 1.00 0.36 H new ATOM 0 HA SER A 31 22.178 -13.496 8.199 1.00 0.39 H new ATOM 0 HB2 SER A 31 22.866 -12.439 6.055 1.00 0.38 H new ATOM 0 HB3 SER A 31 22.460 -10.855 6.686 1.00 0.38 H new ATOM 0 HG SER A 31 24.725 -11.347 6.938 1.00 1.36 H new ATOM 530 N GLU A 32 20.878 -10.715 9.330 1.00 0.42 N ATOM 531 CA GLU A 32 20.801 -9.878 10.562 1.00 0.47 C ATOM 532 C GLU A 32 20.001 -10.611 11.647 1.00 0.49 C ATOM 533 O GLU A 32 19.989 -10.203 12.791 1.00 0.54 O ATOM 534 CB GLU A 32 20.126 -8.545 10.237 1.00 0.48 C ATOM 535 CG GLU A 32 21.080 -7.671 9.419 1.00 0.79 C ATOM 536 CD GLU A 32 20.319 -6.465 8.866 1.00 1.50 C ATOM 537 OE1 GLU A 32 19.305 -6.112 9.447 1.00 2.23 O ATOM 538 OE2 GLU A 32 20.762 -5.913 7.873 1.00 2.22 O ATOM 0 H GLU A 32 20.197 -10.489 8.605 1.00 0.42 H new ATOM 0 HA GLU A 32 21.810 -9.693 10.929 1.00 0.47 H new ATOM 0 HB2 GLU A 32 19.206 -8.718 9.678 1.00 0.48 H new ATOM 0 HB3 GLU A 32 19.847 -8.033 11.158 1.00 0.48 H new ATOM 0 HG2 GLU A 32 21.909 -7.337 10.043 1.00 0.79 H new ATOM 0 HG3 GLU A 32 21.510 -8.250 8.601 1.00 0.79 H new ATOM 545 N GLY A 33 19.352 -11.700 11.301 1.00 0.47 N ATOM 546 CA GLY A 33 18.568 -12.482 12.321 1.00 0.50 C ATOM 547 C GLY A 33 17.102 -12.611 11.897 1.00 0.50 C ATOM 548 O GLY A 33 16.247 -12.936 12.699 1.00 0.66 O ATOM 0 H GLY A 33 19.330 -12.083 10.356 1.00 0.47 H new ATOM 0 HA2 GLY A 33 19.005 -13.473 12.441 1.00 0.50 H new ATOM 0 HA3 GLY A 33 18.629 -11.988 13.290 1.00 0.50 H new ATOM 552 N GLY A 34 16.798 -12.380 10.650 1.00 0.43 N ATOM 553 CA GLY A 34 15.385 -12.515 10.198 1.00 0.43 C ATOM 554 C GLY A 34 14.501 -11.447 10.893 1.00 0.43 C ATOM 555 O GLY A 34 14.730 -10.272 10.689 1.00 0.41 O ATOM 0 H GLY A 34 17.463 -12.105 9.927 1.00 0.43 H new ATOM 0 HA2 GLY A 34 15.328 -12.398 9.116 1.00 0.43 H new ATOM 0 HA3 GLY A 34 15.014 -13.513 10.430 1.00 0.43 H new ATOM 559 N PRO A 35 13.513 -11.848 11.689 1.00 0.47 N ATOM 560 CA PRO A 35 12.638 -10.866 12.367 1.00 0.51 C ATOM 561 C PRO A 35 13.477 -9.920 13.238 1.00 0.52 C ATOM 562 O PRO A 35 13.254 -8.726 13.268 1.00 0.64 O ATOM 563 CB PRO A 35 11.670 -11.714 13.228 1.00 0.57 C ATOM 564 CG PRO A 35 12.002 -13.211 12.970 1.00 0.58 C ATOM 565 CD PRO A 35 13.184 -13.264 11.981 1.00 0.52 C ATOM 0 HA PRO A 35 12.095 -10.236 11.663 1.00 0.51 H new ATOM 0 HB2 PRO A 35 11.785 -11.473 14.285 1.00 0.57 H new ATOM 0 HB3 PRO A 35 10.634 -11.500 12.963 1.00 0.57 H new ATOM 0 HG2 PRO A 35 12.261 -13.712 13.903 1.00 0.58 H new ATOM 0 HG3 PRO A 35 11.136 -13.730 12.559 1.00 0.58 H new ATOM 0 HD2 PRO A 35 14.037 -13.785 12.415 1.00 0.52 H new ATOM 0 HD3 PRO A 35 12.912 -13.800 11.072 1.00 0.52 H new ATOM 573 N THR A 36 14.434 -10.447 13.950 1.00 0.50 N ATOM 574 CA THR A 36 15.278 -9.582 14.819 1.00 0.50 C ATOM 575 C THR A 36 16.153 -8.678 13.948 1.00 0.48 C ATOM 576 O THR A 36 17.058 -8.025 14.429 1.00 0.48 O ATOM 577 CB THR A 36 16.170 -10.462 15.698 1.00 0.51 C ATOM 578 OG1 THR A 36 16.927 -11.339 14.876 1.00 0.69 O ATOM 579 CG2 THR A 36 15.300 -11.280 16.655 1.00 0.80 C ATOM 0 H THR A 36 14.668 -11.440 13.967 1.00 0.50 H new ATOM 0 HA THR A 36 14.637 -8.966 15.450 1.00 0.50 H new ATOM 0 HB THR A 36 16.846 -9.831 16.275 1.00 0.51 H new ATOM 0 HG1 THR A 36 16.323 -11.845 14.294 1.00 0.69 H new ATOM 0 HG21 THR A 36 15.936 -11.906 17.280 1.00 0.80 H new ATOM 0 HG22 THR A 36 14.721 -10.606 17.287 1.00 0.80 H new ATOM 0 HG23 THR A 36 14.622 -11.911 16.081 1.00 0.80 H new ATOM 587 N ALA A 37 15.894 -8.634 12.668 1.00 0.48 N ATOM 588 CA ALA A 37 16.715 -7.773 11.772 1.00 0.48 C ATOM 589 C ALA A 37 16.347 -6.304 11.995 1.00 0.55 C ATOM 590 O ALA A 37 15.279 -5.990 12.482 1.00 1.10 O ATOM 591 CB ALA A 37 16.448 -8.148 10.313 1.00 0.42 C ATOM 0 H ALA A 37 15.150 -9.157 12.206 1.00 0.48 H new ATOM 0 HA ALA A 37 17.771 -7.922 11.998 1.00 0.48 H new ATOM 0 HB1 ALA A 37 17.050 -7.517 9.659 1.00 0.42 H new ATOM 0 HB2 ALA A 37 16.712 -9.193 10.152 1.00 0.42 H new ATOM 0 HB3 ALA A 37 15.392 -8.002 10.087 1.00 0.42 H new ATOM 597 N THR A 38 17.221 -5.400 11.642 1.00 0.45 N ATOM 598 CA THR A 38 16.915 -3.954 11.835 1.00 0.46 C ATOM 599 C THR A 38 15.572 -3.626 11.183 1.00 0.40 C ATOM 600 O THR A 38 15.059 -4.380 10.380 1.00 0.36 O ATOM 601 CB THR A 38 18.011 -3.103 11.191 1.00 0.48 C ATOM 602 OG1 THR A 38 18.019 -3.326 9.788 1.00 0.66 O ATOM 603 CG2 THR A 38 19.369 -3.484 11.778 1.00 0.66 C ATOM 0 H THR A 38 18.132 -5.600 11.229 1.00 0.45 H new ATOM 0 HA THR A 38 16.868 -3.736 12.902 1.00 0.46 H new ATOM 0 HB THR A 38 17.816 -2.049 11.391 1.00 0.48 H new ATOM 0 HG1 THR A 38 18.720 -2.780 9.374 1.00 0.66 H new ATOM 0 HG21 THR A 38 20.148 -2.876 11.317 1.00 0.66 H new ATOM 0 HG22 THR A 38 19.362 -3.310 12.854 1.00 0.66 H new ATOM 0 HG23 THR A 38 19.567 -4.538 11.582 1.00 0.66 H new ATOM 611 N ILE A 39 14.999 -2.504 11.520 1.00 0.47 N ATOM 612 CA ILE A 39 13.692 -2.119 10.922 1.00 0.45 C ATOM 613 C ILE A 39 13.890 -1.786 9.440 1.00 0.40 C ATOM 614 O ILE A 39 13.098 -2.158 8.597 1.00 0.38 O ATOM 615 CB ILE A 39 13.149 -0.893 11.670 1.00 0.55 C ATOM 616 CG1 ILE A 39 12.663 -1.324 13.057 1.00 0.73 C ATOM 617 CG2 ILE A 39 11.983 -0.268 10.898 1.00 0.53 C ATOM 618 CD1 ILE A 39 12.384 -0.087 13.914 1.00 0.73 C ATOM 0 H ILE A 39 15.383 -1.835 12.187 1.00 0.47 H new ATOM 0 HA ILE A 39 12.982 -2.941 11.007 1.00 0.45 H new ATOM 0 HB ILE A 39 13.945 -0.155 11.764 1.00 0.55 H new ATOM 0 HG12 ILE A 39 11.759 -1.926 12.965 1.00 0.73 H new ATOM 0 HG13 ILE A 39 13.415 -1.949 13.538 1.00 0.73 H new ATOM 0 HG21 ILE A 39 11.610 0.600 11.442 1.00 0.53 H new ATOM 0 HG22 ILE A 39 12.325 0.042 9.911 1.00 0.53 H new ATOM 0 HG23 ILE A 39 11.183 -1.001 10.791 1.00 0.53 H new ATOM 0 HD11 ILE A 39 12.038 -0.398 14.900 1.00 0.73 H new ATOM 0 HD12 ILE A 39 13.298 0.498 14.018 1.00 0.73 H new ATOM 0 HD13 ILE A 39 11.616 0.521 13.436 1.00 0.73 H new ATOM 630 N GLN A 40 14.940 -1.082 9.119 1.00 0.42 N ATOM 631 CA GLN A 40 15.189 -0.716 7.696 1.00 0.43 C ATOM 632 C GLN A 40 15.324 -1.984 6.853 1.00 0.35 C ATOM 633 O GLN A 40 15.061 -1.985 5.666 1.00 0.37 O ATOM 634 CB GLN A 40 16.479 0.101 7.598 1.00 0.53 C ATOM 635 CG GLN A 40 16.658 0.604 6.164 1.00 1.38 C ATOM 636 CD GLN A 40 17.898 1.496 6.085 1.00 1.91 C ATOM 637 OE1 GLN A 40 18.113 2.171 5.099 1.00 2.54 O ATOM 638 NE2 GLN A 40 18.729 1.527 7.091 1.00 2.43 N ATOM 0 H GLN A 40 15.638 -0.744 9.782 1.00 0.42 H new ATOM 0 HA GLN A 40 14.353 -0.124 7.325 1.00 0.43 H new ATOM 0 HB2 GLN A 40 16.441 0.944 8.288 1.00 0.53 H new ATOM 0 HB3 GLN A 40 17.333 -0.511 7.889 1.00 0.53 H new ATOM 0 HG2 GLN A 40 16.761 -0.240 5.482 1.00 1.38 H new ATOM 0 HG3 GLN A 40 15.776 1.162 5.851 1.00 1.38 H new ATOM 0 HE21 GLN A 40 18.548 0.960 7.919 1.00 2.43 H new ATOM 0 HE22 GLN A 40 19.559 2.118 7.049 1.00 2.43 H new ATOM 647 N SER A 41 15.742 -3.061 7.455 1.00 0.31 N ATOM 648 CA SER A 41 15.907 -4.329 6.687 1.00 0.28 C ATOM 649 C SER A 41 14.537 -4.865 6.268 1.00 0.24 C ATOM 650 O SER A 41 14.326 -5.234 5.130 1.00 0.25 O ATOM 651 CB SER A 41 16.615 -5.366 7.560 1.00 0.29 C ATOM 652 OG SER A 41 15.673 -5.956 8.446 1.00 1.32 O ATOM 0 H SER A 41 15.977 -3.120 8.446 1.00 0.31 H new ATOM 0 HA SER A 41 16.503 -4.133 5.796 1.00 0.28 H new ATOM 0 HB2 SER A 41 17.073 -6.132 6.935 1.00 0.29 H new ATOM 0 HB3 SER A 41 17.418 -4.894 8.126 1.00 0.29 H new ATOM 0 HG SER A 41 15.309 -5.268 9.042 1.00 1.32 H new ATOM 658 N ARG A 42 13.604 -4.911 7.178 1.00 0.22 N ATOM 659 CA ARG A 42 12.249 -5.424 6.830 1.00 0.21 C ATOM 660 C ARG A 42 11.526 -4.377 5.971 1.00 0.20 C ATOM 661 O ARG A 42 10.779 -4.703 5.070 1.00 0.20 O ATOM 662 CB ARG A 42 11.464 -5.685 8.138 1.00 0.24 C ATOM 663 CG ARG A 42 10.705 -7.022 8.058 1.00 0.52 C ATOM 664 CD ARG A 42 11.667 -8.196 8.327 1.00 0.82 C ATOM 665 NE ARG A 42 11.265 -9.382 7.505 1.00 1.50 N ATOM 666 CZ ARG A 42 10.021 -9.784 7.455 1.00 1.92 C ATOM 667 NH1 ARG A 42 9.121 -9.254 8.234 1.00 1.83 N ATOM 668 NH2 ARG A 42 9.689 -10.760 6.654 1.00 2.91 N ATOM 0 H ARG A 42 13.721 -4.616 8.147 1.00 0.22 H new ATOM 0 HA ARG A 42 12.324 -6.354 6.267 1.00 0.21 H new ATOM 0 HB2 ARG A 42 12.151 -5.701 8.984 1.00 0.24 H new ATOM 0 HB3 ARG A 42 10.760 -4.871 8.315 1.00 0.24 H new ATOM 0 HG2 ARG A 42 9.894 -7.032 8.786 1.00 0.52 H new ATOM 0 HG3 ARG A 42 10.251 -7.133 7.073 1.00 0.52 H new ATOM 0 HD2 ARG A 42 12.689 -7.904 8.084 1.00 0.82 H new ATOM 0 HD3 ARG A 42 11.652 -8.454 9.386 1.00 0.82 H new ATOM 0 HE ARG A 42 11.975 -9.886 6.974 1.00 1.50 H new ATOM 0 HH11 ARG A 42 9.384 -8.519 8.890 1.00 1.83 H new ATOM 0 HH12 ARG A 42 8.154 -9.574 8.187 1.00 1.83 H new ATOM 0 HH21 ARG A 42 10.398 -11.205 6.071 1.00 2.91 H new ATOM 0 HH22 ARG A 42 8.721 -11.077 6.611 1.00 2.91 H new ATOM 682 N PHE A 43 11.739 -3.123 6.260 1.00 0.22 N ATOM 683 CA PHE A 43 11.066 -2.042 5.487 1.00 0.24 C ATOM 684 C PHE A 43 11.306 -2.229 3.986 1.00 0.23 C ATOM 685 O PHE A 43 10.376 -2.287 3.203 1.00 0.23 O ATOM 686 CB PHE A 43 11.631 -0.690 5.923 1.00 0.28 C ATOM 687 CG PHE A 43 10.785 0.423 5.354 1.00 0.38 C ATOM 688 CD1 PHE A 43 11.023 0.888 4.055 1.00 1.18 C ATOM 689 CD2 PHE A 43 9.767 0.994 6.127 1.00 1.40 C ATOM 690 CE1 PHE A 43 10.242 1.924 3.529 1.00 1.22 C ATOM 691 CE2 PHE A 43 8.987 2.030 5.601 1.00 1.48 C ATOM 692 CZ PHE A 43 9.225 2.495 4.303 1.00 0.70 C ATOM 0 H PHE A 43 12.356 -2.799 7.005 1.00 0.22 H new ATOM 0 HA PHE A 43 9.994 -2.082 5.680 1.00 0.24 H new ATOM 0 HB2 PHE A 43 11.649 -0.626 7.011 1.00 0.28 H new ATOM 0 HB3 PHE A 43 12.661 -0.588 5.581 1.00 0.28 H new ATOM 0 HD1 PHE A 43 11.809 0.448 3.459 1.00 1.18 H new ATOM 0 HD2 PHE A 43 9.584 0.635 7.129 1.00 1.40 H new ATOM 0 HE1 PHE A 43 10.424 2.282 2.527 1.00 1.22 H new ATOM 0 HE2 PHE A 43 8.201 2.471 6.197 1.00 1.48 H new ATOM 0 HZ PHE A 43 8.623 3.295 3.898 1.00 0.70 H new ATOM 702 N ASN A 44 12.540 -2.325 3.569 1.00 0.24 N ATOM 703 CA ASN A 44 12.818 -2.504 2.117 1.00 0.24 C ATOM 704 C ASN A 44 12.267 -3.852 1.654 1.00 0.22 C ATOM 705 O ASN A 44 11.762 -3.983 0.557 1.00 0.23 O ATOM 706 CB ASN A 44 14.330 -2.462 1.880 1.00 0.25 C ATOM 707 CG ASN A 44 14.858 -1.060 2.194 1.00 0.95 C ATOM 708 OD1 ASN A 44 14.753 -0.163 1.382 1.00 1.73 O ATOM 709 ND2 ASN A 44 15.428 -0.833 3.346 1.00 1.67 N ATOM 0 H ASN A 44 13.364 -2.287 4.169 1.00 0.24 H new ATOM 0 HA ASN A 44 12.338 -1.704 1.553 1.00 0.24 H new ATOM 0 HB2 ASN A 44 14.828 -3.199 2.510 1.00 0.25 H new ATOM 0 HB3 ASN A 44 14.554 -2.723 0.846 1.00 0.25 H new ATOM 0 HD21 ASN A 44 15.785 0.097 3.564 1.00 1.67 H new ATOM 0 HD22 ASN A 44 15.516 -1.586 4.028 1.00 1.67 H new ATOM 716 N TYR A 45 12.359 -4.855 2.482 1.00 0.21 N ATOM 717 CA TYR A 45 11.838 -6.193 2.088 1.00 0.20 C ATOM 718 C TYR A 45 10.333 -6.090 1.825 1.00 0.21 C ATOM 719 O TYR A 45 9.780 -6.828 1.034 1.00 0.22 O ATOM 720 CB TYR A 45 12.097 -7.191 3.218 1.00 0.20 C ATOM 721 CG TYR A 45 11.681 -8.577 2.776 1.00 0.21 C ATOM 722 CD1 TYR A 45 12.374 -9.215 1.740 1.00 1.12 C ATOM 723 CD2 TYR A 45 10.606 -9.224 3.400 1.00 1.33 C ATOM 724 CE1 TYR A 45 11.993 -10.497 1.328 1.00 1.05 C ATOM 725 CE2 TYR A 45 10.226 -10.507 2.988 1.00 1.43 C ATOM 726 CZ TYR A 45 10.920 -11.144 1.952 1.00 0.43 C ATOM 727 OH TYR A 45 10.545 -12.408 1.546 1.00 0.57 O ATOM 0 H TYR A 45 12.772 -4.806 3.413 1.00 0.21 H new ATOM 0 HA TYR A 45 12.342 -6.534 1.184 1.00 0.20 H new ATOM 0 HB2 TYR A 45 13.153 -7.186 3.487 1.00 0.20 H new ATOM 0 HB3 TYR A 45 11.540 -6.900 4.109 1.00 0.20 H new ATOM 0 HD1 TYR A 45 13.203 -8.717 1.259 1.00 1.12 H new ATOM 0 HD2 TYR A 45 10.070 -8.733 4.199 1.00 1.33 H new ATOM 0 HE1 TYR A 45 12.527 -10.988 0.528 1.00 1.05 H new ATOM 0 HE2 TYR A 45 9.398 -11.005 3.469 1.00 1.43 H new ATOM 0 HH TYR A 45 9.784 -12.712 2.083 1.00 0.57 H new ATOM 737 N ALA A 46 9.668 -5.177 2.480 1.00 0.22 N ATOM 738 CA ALA A 46 8.201 -5.025 2.264 1.00 0.24 C ATOM 739 C ALA A 46 7.955 -4.394 0.893 1.00 0.25 C ATOM 740 O ALA A 46 6.966 -4.668 0.239 1.00 0.28 O ATOM 741 CB ALA A 46 7.616 -4.122 3.352 1.00 0.26 C ATOM 0 H ALA A 46 10.077 -4.530 3.155 1.00 0.22 H new ATOM 0 HA ALA A 46 7.722 -6.003 2.308 1.00 0.24 H new ATOM 0 HB1 ALA A 46 6.543 -4.011 3.194 1.00 0.26 H new ATOM 0 HB2 ALA A 46 7.795 -4.568 4.330 1.00 0.26 H new ATOM 0 HB3 ALA A 46 8.093 -3.143 3.307 1.00 0.26 H new ATOM 747 N TRP A 47 8.847 -3.552 0.451 1.00 0.26 N ATOM 748 CA TRP A 47 8.665 -2.905 -0.878 1.00 0.29 C ATOM 749 C TRP A 47 8.812 -3.951 -1.987 1.00 0.29 C ATOM 750 O TRP A 47 8.060 -3.959 -2.941 1.00 0.29 O ATOM 751 CB TRP A 47 9.720 -1.805 -1.058 1.00 0.33 C ATOM 752 CG TRP A 47 9.685 -1.280 -2.462 1.00 0.34 C ATOM 753 CD1 TRP A 47 10.670 -1.448 -3.375 1.00 0.38 C ATOM 754 CD2 TRP A 47 8.641 -0.506 -3.126 1.00 0.35 C ATOM 755 NE1 TRP A 47 10.298 -0.829 -4.555 1.00 0.40 N ATOM 756 CE2 TRP A 47 9.057 -0.235 -4.452 1.00 0.38 C ATOM 757 CE3 TRP A 47 7.387 -0.019 -2.713 1.00 0.36 C ATOM 758 CZ2 TRP A 47 8.259 0.493 -5.335 1.00 0.42 C ATOM 759 CZ3 TRP A 47 6.582 0.715 -3.601 1.00 0.42 C ATOM 760 CH2 TRP A 47 7.017 0.970 -4.909 1.00 0.44 C ATOM 0 H TRP A 47 9.694 -3.284 0.952 1.00 0.26 H new ATOM 0 HA TRP A 47 7.670 -2.465 -0.934 1.00 0.29 H new ATOM 0 HB2 TRP A 47 9.534 -0.994 -0.354 1.00 0.33 H new ATOM 0 HB3 TRP A 47 10.711 -2.201 -0.834 1.00 0.33 H new ATOM 0 HD1 TRP A 47 11.596 -1.979 -3.209 1.00 0.38 H new ATOM 0 HE1 TRP A 47 10.871 -0.814 -5.398 1.00 0.40 H new ATOM 0 HE3 TRP A 47 7.041 -0.210 -1.708 1.00 0.36 H new ATOM 0 HZ2 TRP A 47 8.599 0.687 -6.342 1.00 0.42 H new ATOM 0 HZ3 TRP A 47 5.622 1.085 -3.273 1.00 0.42 H new ATOM 0 HH2 TRP A 47 6.393 1.534 -5.586 1.00 0.44 H new ATOM 771 N GLY A 48 9.787 -4.818 -1.893 1.00 0.29 N ATOM 772 CA GLY A 48 9.980 -5.830 -2.964 1.00 0.30 C ATOM 773 C GLY A 48 8.729 -6.693 -3.105 1.00 0.27 C ATOM 774 O GLY A 48 8.291 -6.996 -4.196 1.00 0.29 O ATOM 0 H GLY A 48 10.454 -4.866 -1.122 1.00 0.29 H new ATOM 0 HA2 GLY A 48 10.196 -5.333 -3.910 1.00 0.30 H new ATOM 0 HA3 GLY A 48 10.840 -6.458 -2.730 1.00 0.30 H new ATOM 778 N LEU A 49 8.155 -7.099 -2.011 1.00 0.25 N ATOM 779 CA LEU A 49 6.938 -7.950 -2.087 1.00 0.24 C ATOM 780 C LEU A 49 5.823 -7.194 -2.810 1.00 0.24 C ATOM 781 O LEU A 49 5.011 -7.782 -3.496 1.00 0.29 O ATOM 782 CB LEU A 49 6.485 -8.312 -0.671 1.00 0.23 C ATOM 783 CG LEU A 49 7.539 -9.211 -0.003 1.00 0.23 C ATOM 784 CD1 LEU A 49 7.322 -9.212 1.515 1.00 0.24 C ATOM 785 CD2 LEU A 49 7.422 -10.655 -0.528 1.00 0.26 C ATOM 0 H LEU A 49 8.475 -6.879 -1.068 1.00 0.25 H new ATOM 0 HA LEU A 49 7.165 -8.861 -2.640 1.00 0.24 H new ATOM 0 HB2 LEU A 49 6.340 -7.406 -0.082 1.00 0.23 H new ATOM 0 HB3 LEU A 49 5.524 -8.826 -0.706 1.00 0.23 H new ATOM 0 HG LEU A 49 8.530 -8.823 -0.239 1.00 0.23 H new ATOM 0 HD11 LEU A 49 8.069 -9.849 1.989 1.00 0.24 H new ATOM 0 HD12 LEU A 49 7.417 -8.196 1.897 1.00 0.24 H new ATOM 0 HD13 LEU A 49 6.325 -9.592 1.740 1.00 0.24 H new ATOM 0 HD21 LEU A 49 8.174 -11.279 -0.046 1.00 0.26 H new ATOM 0 HD22 LEU A 49 6.429 -11.045 -0.303 1.00 0.26 H new ATOM 0 HD23 LEU A 49 7.580 -10.664 -1.606 1.00 0.26 H new ATOM 797 N ILE A 50 5.775 -5.898 -2.670 1.00 0.24 N ATOM 798 CA ILE A 50 4.706 -5.126 -3.360 1.00 0.26 C ATOM 799 C ILE A 50 4.978 -5.110 -4.866 1.00 0.27 C ATOM 800 O ILE A 50 4.062 -5.023 -5.659 1.00 0.29 O ATOM 801 CB ILE A 50 4.658 -3.695 -2.817 1.00 0.28 C ATOM 802 CG1 ILE A 50 4.198 -3.735 -1.356 1.00 0.32 C ATOM 803 CG2 ILE A 50 3.666 -2.866 -3.642 1.00 0.32 C ATOM 804 CD1 ILE A 50 4.339 -2.348 -0.726 1.00 0.73 C ATOM 0 H ILE A 50 6.425 -5.344 -2.112 1.00 0.24 H new ATOM 0 HA ILE A 50 3.742 -5.601 -3.175 1.00 0.26 H new ATOM 0 HB ILE A 50 5.647 -3.241 -2.883 1.00 0.28 H new ATOM 0 HG12 ILE A 50 3.160 -4.065 -1.302 1.00 0.32 H new ATOM 0 HG13 ILE A 50 4.792 -4.459 -0.799 1.00 0.32 H new ATOM 0 HG21 ILE A 50 3.632 -1.848 -3.255 1.00 0.32 H new ATOM 0 HG22 ILE A 50 3.985 -2.848 -4.684 1.00 0.32 H new ATOM 0 HG23 ILE A 50 2.674 -3.313 -3.574 1.00 0.32 H new ATOM 0 HD11 ILE A 50 4.010 -2.385 0.312 1.00 0.73 H new ATOM 0 HD12 ILE A 50 5.382 -2.035 -0.765 1.00 0.73 H new ATOM 0 HD13 ILE A 50 3.725 -1.635 -1.276 1.00 0.73 H new ATOM 816 N LYS A 51 6.217 -5.209 -5.284 1.00 0.28 N ATOM 817 CA LYS A 51 6.509 -5.212 -6.745 1.00 0.31 C ATOM 818 C LYS A 51 5.974 -6.508 -7.361 1.00 0.31 C ATOM 819 O LYS A 51 5.572 -6.545 -8.506 1.00 0.36 O ATOM 820 CB LYS A 51 8.037 -5.160 -6.949 1.00 0.37 C ATOM 821 CG LYS A 51 8.580 -3.704 -6.814 1.00 0.72 C ATOM 822 CD LYS A 51 9.081 -3.180 -8.175 1.00 0.79 C ATOM 823 CE LYS A 51 9.966 -1.947 -7.980 1.00 0.87 C ATOM 824 NZ LYS A 51 11.036 -2.241 -6.984 1.00 1.58 N ATOM 0 H LYS A 51 7.033 -5.287 -4.677 1.00 0.28 H new ATOM 0 HA LYS A 51 6.036 -4.352 -7.219 1.00 0.31 H new ATOM 0 HB2 LYS A 51 8.526 -5.802 -6.216 1.00 0.37 H new ATOM 0 HB3 LYS A 51 8.288 -5.554 -7.934 1.00 0.37 H new ATOM 0 HG2 LYS A 51 7.794 -3.051 -6.435 1.00 0.72 H new ATOM 0 HG3 LYS A 51 9.393 -3.680 -6.088 1.00 0.72 H new ATOM 0 HD2 LYS A 51 9.642 -3.961 -8.688 1.00 0.79 H new ATOM 0 HD3 LYS A 51 8.231 -2.929 -8.810 1.00 0.79 H new ATOM 0 HE2 LYS A 51 10.413 -1.655 -8.931 1.00 0.87 H new ATOM 0 HE3 LYS A 51 9.362 -1.106 -7.640 1.00 0.87 H new ATOM 0 HZ1 LYS A 51 11.835 -1.591 -7.131 1.00 1.58 H new ATOM 0 HZ2 LYS A 51 10.660 -2.115 -6.023 1.00 1.58 H new ATOM 0 HZ3 LYS A 51 11.361 -3.222 -7.103 1.00 1.58 H new ATOM 838 N SER A 52 5.993 -7.576 -6.612 1.00 0.32 N ATOM 839 CA SER A 52 5.511 -8.879 -7.149 1.00 0.34 C ATOM 840 C SER A 52 4.185 -8.690 -7.888 1.00 0.35 C ATOM 841 O SER A 52 3.434 -7.773 -7.620 1.00 0.36 O ATOM 842 CB SER A 52 5.312 -9.858 -5.994 1.00 0.36 C ATOM 843 OG SER A 52 4.806 -11.086 -6.500 1.00 1.14 O ATOM 0 H SER A 52 6.323 -7.602 -5.647 1.00 0.32 H new ATOM 0 HA SER A 52 6.251 -9.272 -7.846 1.00 0.34 H new ATOM 0 HB2 SER A 52 6.257 -10.026 -5.478 1.00 0.36 H new ATOM 0 HB3 SER A 52 4.620 -9.440 -5.263 1.00 0.36 H new ATOM 0 HG SER A 52 4.799 -11.756 -5.785 1.00 1.14 H new ATOM 849 N THR A 53 3.900 -9.556 -8.821 1.00 0.38 N ATOM 850 CA THR A 53 2.628 -9.443 -9.593 1.00 0.41 C ATOM 851 C THR A 53 1.494 -10.135 -8.833 1.00 0.40 C ATOM 852 O THR A 53 0.347 -9.744 -8.927 1.00 0.52 O ATOM 853 CB THR A 53 2.801 -10.105 -10.961 1.00 0.46 C ATOM 854 OG1 THR A 53 3.127 -11.476 -10.783 1.00 0.51 O ATOM 855 CG2 THR A 53 3.924 -9.405 -11.728 1.00 0.49 C ATOM 0 H THR A 53 4.496 -10.341 -9.084 1.00 0.38 H new ATOM 0 HA THR A 53 2.382 -8.389 -9.724 1.00 0.41 H new ATOM 0 HB THR A 53 1.873 -10.023 -11.527 1.00 0.46 H new ATOM 0 HG1 THR A 53 3.237 -11.903 -11.658 1.00 0.51 H new ATOM 0 HG21 THR A 53 4.048 -9.877 -12.703 1.00 0.49 H new ATOM 0 HG22 THR A 53 3.672 -8.353 -11.863 1.00 0.49 H new ATOM 0 HG23 THR A 53 4.854 -9.486 -11.165 1.00 0.49 H new ATOM 863 N ASP A 54 1.795 -11.159 -8.080 1.00 0.39 N ATOM 864 CA ASP A 54 0.715 -11.860 -7.325 1.00 0.38 C ATOM 865 C ASP A 54 0.309 -11.021 -6.111 1.00 0.37 C ATOM 866 O ASP A 54 1.089 -10.281 -5.548 1.00 0.36 O ATOM 867 CB ASP A 54 1.190 -13.246 -6.878 1.00 0.38 C ATOM 868 CG ASP A 54 1.384 -14.144 -8.100 1.00 1.31 C ATOM 869 OD1 ASP A 54 0.396 -14.668 -8.588 1.00 2.18 O ATOM 870 OD2 ASP A 54 2.518 -14.297 -8.525 1.00 1.86 O ATOM 0 H ASP A 54 2.734 -11.538 -7.955 1.00 0.39 H new ATOM 0 HA ASP A 54 -0.149 -11.987 -7.977 1.00 0.38 H new ATOM 0 HB2 ASP A 54 2.126 -13.160 -6.326 1.00 0.38 H new ATOM 0 HB3 ASP A 54 0.460 -13.690 -6.201 1.00 0.38 H new ATOM 875 N VAL A 55 -0.932 -11.145 -5.727 1.00 0.37 N ATOM 876 CA VAL A 55 -1.473 -10.381 -4.566 1.00 0.37 C ATOM 877 C VAL A 55 -1.055 -11.041 -3.248 1.00 0.35 C ATOM 878 O VAL A 55 -1.118 -10.439 -2.195 1.00 0.35 O ATOM 879 CB VAL A 55 -3.006 -10.337 -4.676 1.00 0.39 C ATOM 880 CG1 VAL A 55 -3.610 -11.680 -4.251 1.00 0.42 C ATOM 881 CG2 VAL A 55 -3.554 -9.223 -3.779 1.00 0.40 C ATOM 0 H VAL A 55 -1.609 -11.758 -6.180 1.00 0.37 H new ATOM 0 HA VAL A 55 -1.072 -9.367 -4.577 1.00 0.37 H new ATOM 0 HB VAL A 55 -3.278 -10.140 -5.713 1.00 0.39 H new ATOM 0 HG11 VAL A 55 -4.696 -11.633 -4.334 1.00 0.42 H new ATOM 0 HG12 VAL A 55 -3.230 -12.471 -4.898 1.00 0.42 H new ATOM 0 HG13 VAL A 55 -3.334 -11.892 -3.218 1.00 0.42 H new ATOM 0 HG21 VAL A 55 -4.641 -9.193 -3.858 1.00 0.40 H new ATOM 0 HG22 VAL A 55 -3.271 -9.417 -2.744 1.00 0.40 H new ATOM 0 HG23 VAL A 55 -3.141 -8.265 -4.095 1.00 0.40 H new ATOM 891 N ASN A 56 -0.617 -12.264 -3.300 1.00 0.34 N ATOM 892 CA ASN A 56 -0.189 -12.953 -2.046 1.00 0.34 C ATOM 893 C ASN A 56 0.972 -12.180 -1.408 1.00 0.31 C ATOM 894 O ASN A 56 0.952 -11.860 -0.234 1.00 0.31 O ATOM 895 CB ASN A 56 0.264 -14.376 -2.377 1.00 0.36 C ATOM 896 CG ASN A 56 -0.875 -15.123 -3.072 1.00 1.34 C ATOM 897 OD1 ASN A 56 -0.658 -15.816 -4.046 1.00 2.14 O ATOM 898 ND2 ASN A 56 -2.090 -15.010 -2.608 1.00 2.11 N ATOM 0 H ASN A 56 -0.535 -12.819 -4.152 1.00 0.34 H new ATOM 0 HA ASN A 56 -1.025 -12.991 -1.348 1.00 0.34 H new ATOM 0 HB2 ASN A 56 1.143 -14.349 -3.022 1.00 0.36 H new ATOM 0 HB3 ASN A 56 0.553 -14.899 -1.465 1.00 0.36 H new ATOM 0 HD21 ASN A 56 -2.858 -15.504 -3.063 1.00 2.11 H new ATOM 0 HD22 ASN A 56 -2.272 -14.428 -1.790 1.00 2.11 H new ATOM 905 N ASP A 57 1.984 -11.880 -2.174 1.00 0.30 N ATOM 906 CA ASP A 57 3.148 -11.135 -1.622 1.00 0.30 C ATOM 907 C ASP A 57 2.742 -9.692 -1.301 1.00 0.29 C ATOM 908 O ASP A 57 3.181 -9.120 -0.323 1.00 0.28 O ATOM 909 CB ASP A 57 4.272 -11.134 -2.660 1.00 0.33 C ATOM 910 CG ASP A 57 4.916 -12.521 -2.718 1.00 0.42 C ATOM 911 OD1 ASP A 57 5.385 -12.979 -1.689 1.00 1.09 O ATOM 912 OD2 ASP A 57 4.928 -13.102 -3.791 1.00 1.23 O ATOM 0 H ASP A 57 2.054 -12.120 -3.163 1.00 0.30 H new ATOM 0 HA ASP A 57 3.489 -11.617 -0.705 1.00 0.30 H new ATOM 0 HB2 ASP A 57 3.877 -10.864 -3.639 1.00 0.33 H new ATOM 0 HB3 ASP A 57 5.020 -10.385 -2.401 1.00 0.33 H new ATOM 917 N GLU A 58 1.910 -9.098 -2.114 1.00 0.33 N ATOM 918 CA GLU A 58 1.485 -7.692 -1.847 1.00 0.36 C ATOM 919 C GLU A 58 0.846 -7.603 -0.459 1.00 0.34 C ATOM 920 O GLU A 58 1.054 -6.654 0.271 1.00 0.34 O ATOM 921 CB GLU A 58 0.466 -7.254 -2.901 1.00 0.42 C ATOM 922 CG GLU A 58 1.118 -7.267 -4.285 1.00 0.92 C ATOM 923 CD GLU A 58 0.052 -7.010 -5.353 1.00 1.66 C ATOM 924 OE1 GLU A 58 -1.000 -6.503 -5.001 1.00 2.45 O ATOM 925 OE2 GLU A 58 0.307 -7.324 -6.504 1.00 2.21 O ATOM 0 H GLU A 58 1.507 -9.523 -2.949 1.00 0.33 H new ATOM 0 HA GLU A 58 2.357 -7.040 -1.890 1.00 0.36 H new ATOM 0 HB2 GLU A 58 -0.395 -7.922 -2.888 1.00 0.42 H new ATOM 0 HB3 GLU A 58 0.098 -6.254 -2.671 1.00 0.42 H new ATOM 0 HG2 GLU A 58 1.895 -6.504 -4.340 1.00 0.92 H new ATOM 0 HG3 GLU A 58 1.601 -8.228 -4.462 1.00 0.92 H new ATOM 932 N ARG A 59 0.069 -8.583 -0.090 1.00 0.33 N ATOM 933 CA ARG A 59 -0.587 -8.557 1.249 1.00 0.34 C ATOM 934 C ARG A 59 0.457 -8.808 2.336 1.00 0.30 C ATOM 935 O ARG A 59 0.296 -8.396 3.468 1.00 0.31 O ATOM 936 CB ARG A 59 -1.658 -9.648 1.318 1.00 0.40 C ATOM 937 CG ARG A 59 -2.873 -9.233 0.486 1.00 0.68 C ATOM 938 CD ARG A 59 -3.897 -10.370 0.483 1.00 0.95 C ATOM 939 NE ARG A 59 -5.157 -9.905 -0.162 1.00 1.62 N ATOM 940 CZ ARG A 59 -6.055 -10.774 -0.539 1.00 2.13 C ATOM 941 NH1 ARG A 59 -5.849 -12.048 -0.349 1.00 2.23 N ATOM 942 NH2 ARG A 59 -7.159 -10.369 -1.105 1.00 3.12 N ATOM 0 H ARG A 59 -0.141 -9.403 -0.659 1.00 0.33 H new ATOM 0 HA ARG A 59 -1.049 -7.582 1.403 1.00 0.34 H new ATOM 0 HB2 ARG A 59 -1.255 -10.590 0.946 1.00 0.40 H new ATOM 0 HB3 ARG A 59 -1.954 -9.815 2.354 1.00 0.40 H new ATOM 0 HG2 ARG A 59 -3.319 -8.328 0.899 1.00 0.68 H new ATOM 0 HG3 ARG A 59 -2.567 -9.001 -0.534 1.00 0.68 H new ATOM 0 HD2 ARG A 59 -3.498 -11.231 -0.053 1.00 0.95 H new ATOM 0 HD3 ARG A 59 -4.098 -10.695 1.504 1.00 0.95 H new ATOM 0 HE ARG A 59 -5.318 -8.908 -0.309 1.00 1.62 H new ATOM 0 HH11 ARG A 59 -4.987 -12.365 0.094 1.00 2.23 H new ATOM 0 HH12 ARG A 59 -6.550 -12.728 -0.643 1.00 2.23 H new ATOM 0 HH21 ARG A 59 -7.321 -9.373 -1.253 1.00 3.12 H new ATOM 0 HH22 ARG A 59 -7.860 -11.049 -1.399 1.00 3.12 H new ATOM 956 N LEU A 60 1.532 -9.468 2.006 1.00 0.28 N ATOM 957 CA LEU A 60 2.582 -9.727 3.029 1.00 0.27 C ATOM 958 C LEU A 60 3.322 -8.419 3.327 1.00 0.25 C ATOM 959 O LEU A 60 3.625 -8.111 4.463 1.00 0.26 O ATOM 960 CB LEU A 60 3.566 -10.775 2.491 1.00 0.29 C ATOM 961 CG LEU A 60 4.694 -11.031 3.503 1.00 0.30 C ATOM 962 CD1 LEU A 60 4.112 -11.509 4.842 1.00 0.32 C ATOM 963 CD2 LEU A 60 5.633 -12.103 2.939 1.00 0.34 C ATOM 0 H LEU A 60 1.728 -9.838 1.076 1.00 0.28 H new ATOM 0 HA LEU A 60 2.127 -10.102 3.946 1.00 0.27 H new ATOM 0 HB2 LEU A 60 3.037 -11.706 2.285 1.00 0.29 H new ATOM 0 HB3 LEU A 60 3.989 -10.433 1.546 1.00 0.29 H new ATOM 0 HG LEU A 60 5.243 -10.105 3.673 1.00 0.30 H new ATOM 0 HD11 LEU A 60 4.923 -11.686 5.549 1.00 0.32 H new ATOM 0 HD12 LEU A 60 3.443 -10.746 5.241 1.00 0.32 H new ATOM 0 HD13 LEU A 60 3.557 -12.434 4.688 1.00 0.32 H new ATOM 0 HD21 LEU A 60 6.438 -12.292 3.650 1.00 0.34 H new ATOM 0 HD22 LEU A 60 5.074 -13.023 2.770 1.00 0.34 H new ATOM 0 HD23 LEU A 60 6.056 -11.757 1.996 1.00 0.34 H new ATOM 975 N GLY A 61 3.625 -7.654 2.313 1.00 0.22 N ATOM 976 CA GLY A 61 4.356 -6.373 2.532 1.00 0.21 C ATOM 977 C GLY A 61 3.513 -5.414 3.378 1.00 0.20 C ATOM 978 O GLY A 61 4.026 -4.715 4.229 1.00 0.21 O ATOM 0 H GLY A 61 3.397 -7.862 1.341 1.00 0.22 H new ATOM 0 HA2 GLY A 61 5.305 -6.569 3.031 1.00 0.21 H new ATOM 0 HA3 GLY A 61 4.590 -5.912 1.572 1.00 0.21 H new ATOM 982 N VAL A 62 2.229 -5.363 3.152 1.00 0.20 N ATOM 983 CA VAL A 62 1.379 -4.431 3.950 1.00 0.21 C ATOM 984 C VAL A 62 1.488 -4.800 5.435 1.00 0.22 C ATOM 985 O VAL A 62 1.640 -3.944 6.284 1.00 0.25 O ATOM 986 CB VAL A 62 -0.096 -4.520 3.456 1.00 0.23 C ATOM 987 CG1 VAL A 62 -1.089 -4.471 4.630 1.00 0.28 C ATOM 988 CG2 VAL A 62 -0.413 -3.353 2.505 1.00 0.31 C ATOM 0 H VAL A 62 1.734 -5.920 2.456 1.00 0.20 H new ATOM 0 HA VAL A 62 1.720 -3.404 3.820 1.00 0.21 H new ATOM 0 HB VAL A 62 -0.203 -5.472 2.937 1.00 0.23 H new ATOM 0 HG11 VAL A 62 -2.108 -4.535 4.248 1.00 0.28 H new ATOM 0 HG12 VAL A 62 -0.900 -5.308 5.302 1.00 0.28 H new ATOM 0 HG13 VAL A 62 -0.964 -3.534 5.173 1.00 0.28 H new ATOM 0 HG21 VAL A 62 -1.447 -3.429 2.168 1.00 0.31 H new ATOM 0 HG22 VAL A 62 -0.270 -2.408 3.029 1.00 0.31 H new ATOM 0 HG23 VAL A 62 0.253 -3.395 1.643 1.00 0.31 H new ATOM 998 N LYS A 63 1.398 -6.058 5.756 1.00 0.24 N ATOM 999 CA LYS A 63 1.483 -6.459 7.185 1.00 0.28 C ATOM 1000 C LYS A 63 2.773 -5.900 7.788 1.00 0.26 C ATOM 1001 O LYS A 63 2.768 -5.315 8.853 1.00 0.29 O ATOM 1002 CB LYS A 63 1.477 -7.989 7.285 1.00 0.33 C ATOM 1003 CG LYS A 63 1.886 -8.421 8.699 1.00 0.47 C ATOM 1004 CD LYS A 63 1.543 -9.894 8.916 1.00 0.58 C ATOM 1005 CE LYS A 63 2.221 -10.755 7.846 1.00 1.60 C ATOM 1006 NZ LYS A 63 1.431 -10.698 6.584 1.00 2.36 N ATOM 0 H LYS A 63 1.270 -6.823 5.094 1.00 0.24 H new ATOM 0 HA LYS A 63 0.628 -6.063 7.733 1.00 0.28 H new ATOM 0 HB2 LYS A 63 0.484 -8.374 7.051 1.00 0.33 H new ATOM 0 HB3 LYS A 63 2.164 -8.413 6.553 1.00 0.33 H new ATOM 0 HG2 LYS A 63 2.955 -8.263 8.841 1.00 0.47 H new ATOM 0 HG3 LYS A 63 1.372 -7.807 9.439 1.00 0.47 H new ATOM 0 HD2 LYS A 63 1.868 -10.209 9.907 1.00 0.58 H new ATOM 0 HD3 LYS A 63 0.463 -10.034 8.876 1.00 0.58 H new ATOM 0 HE2 LYS A 63 3.236 -10.399 7.668 1.00 1.60 H new ATOM 0 HE3 LYS A 63 2.300 -11.786 8.191 1.00 1.60 H new ATOM 0 HZ1 LYS A 63 1.517 -11.603 6.079 1.00 2.36 H new ATOM 0 HZ2 LYS A 63 0.431 -10.520 6.808 1.00 2.36 H new ATOM 0 HZ3 LYS A 63 1.793 -9.931 5.982 1.00 2.36 H new ATOM 1020 N ILE A 64 3.876 -6.075 7.118 1.00 0.25 N ATOM 1021 CA ILE A 64 5.157 -5.553 7.658 1.00 0.25 C ATOM 1022 C ILE A 64 5.060 -4.027 7.782 1.00 0.22 C ATOM 1023 O ILE A 64 5.437 -3.449 8.783 1.00 0.22 O ATOM 1024 CB ILE A 64 6.301 -5.936 6.707 1.00 0.28 C ATOM 1025 CG1 ILE A 64 6.615 -7.426 6.865 1.00 0.33 C ATOM 1026 CG2 ILE A 64 7.557 -5.119 7.032 1.00 0.32 C ATOM 1027 CD1 ILE A 64 7.463 -7.902 5.683 1.00 0.35 C ATOM 0 H ILE A 64 3.945 -6.556 6.221 1.00 0.25 H new ATOM 0 HA ILE A 64 5.354 -5.982 8.640 1.00 0.25 H new ATOM 0 HB ILE A 64 5.994 -5.726 5.682 1.00 0.28 H new ATOM 0 HG12 ILE A 64 7.148 -7.598 7.800 1.00 0.33 H new ATOM 0 HG13 ILE A 64 5.689 -7.999 6.915 1.00 0.33 H new ATOM 0 HG21 ILE A 64 8.360 -5.400 6.351 1.00 0.32 H new ATOM 0 HG22 ILE A 64 7.340 -4.057 6.918 1.00 0.32 H new ATOM 0 HG23 ILE A 64 7.865 -5.318 8.058 1.00 0.32 H new ATOM 0 HD11 ILE A 64 7.685 -8.963 5.798 1.00 0.35 H new ATOM 0 HD12 ILE A 64 6.914 -7.745 4.755 1.00 0.35 H new ATOM 0 HD13 ILE A 64 8.395 -7.338 5.653 1.00 0.35 H new ATOM 1039 N LEU A 65 4.557 -3.375 6.770 1.00 0.20 N ATOM 1040 CA LEU A 65 4.433 -1.891 6.822 1.00 0.19 C ATOM 1041 C LEU A 65 3.530 -1.489 7.989 1.00 0.19 C ATOM 1042 O LEU A 65 3.711 -0.448 8.588 1.00 0.20 O ATOM 1043 CB LEU A 65 3.825 -1.377 5.508 1.00 0.22 C ATOM 1044 CG LEU A 65 4.887 -1.386 4.388 1.00 0.29 C ATOM 1045 CD1 LEU A 65 4.197 -1.490 3.024 1.00 0.69 C ATOM 1046 CD2 LEU A 65 5.709 -0.088 4.427 1.00 0.42 C ATOM 0 H LEU A 65 4.226 -3.807 5.907 1.00 0.20 H new ATOM 0 HA LEU A 65 5.422 -1.455 6.961 1.00 0.19 H new ATOM 0 HB2 LEU A 65 2.979 -2.002 5.222 1.00 0.22 H new ATOM 0 HB3 LEU A 65 3.442 -0.366 5.647 1.00 0.22 H new ATOM 0 HG LEU A 65 5.546 -2.241 4.540 1.00 0.29 H new ATOM 0 HD11 LEU A 65 4.949 -1.496 2.235 1.00 0.69 H new ATOM 0 HD12 LEU A 65 3.617 -2.412 2.979 1.00 0.69 H new ATOM 0 HD13 LEU A 65 3.533 -0.636 2.886 1.00 0.69 H new ATOM 0 HD21 LEU A 65 6.455 -0.106 3.632 1.00 0.42 H new ATOM 0 HD22 LEU A 65 5.047 0.766 4.284 1.00 0.42 H new ATOM 0 HD23 LEU A 65 6.209 -0.003 5.392 1.00 0.42 H new ATOM 1058 N THR A 66 2.566 -2.304 8.330 1.00 0.21 N ATOM 1059 CA THR A 66 1.667 -1.960 9.462 1.00 0.25 C ATOM 1060 C THR A 66 2.370 -2.295 10.785 1.00 0.28 C ATOM 1061 O THR A 66 2.102 -1.703 11.811 1.00 0.31 O ATOM 1062 CB THR A 66 0.364 -2.774 9.328 1.00 0.29 C ATOM 1063 OG1 THR A 66 0.133 -3.061 7.957 1.00 0.43 O ATOM 1064 CG2 THR A 66 -0.817 -1.973 9.882 1.00 0.36 C ATOM 0 H THR A 66 2.365 -3.192 7.871 1.00 0.21 H new ATOM 0 HA THR A 66 1.430 -0.896 9.448 1.00 0.25 H new ATOM 0 HB THR A 66 0.462 -3.701 9.893 1.00 0.29 H new ATOM 0 HG1 THR A 66 0.722 -3.790 7.672 1.00 0.43 H new ATOM 0 HG21 THR A 66 -1.732 -2.557 9.782 1.00 0.36 H new ATOM 0 HG22 THR A 66 -0.643 -1.749 10.934 1.00 0.36 H new ATOM 0 HG23 THR A 66 -0.919 -1.042 9.324 1.00 0.36 H new ATOM 1072 N ASP A 67 3.281 -3.231 10.758 1.00 0.29 N ATOM 1073 CA ASP A 67 4.014 -3.597 12.003 1.00 0.34 C ATOM 1074 C ASP A 67 5.044 -2.508 12.300 1.00 0.32 C ATOM 1075 O ASP A 67 5.184 -2.056 13.419 1.00 0.35 O ATOM 1076 CB ASP A 67 4.726 -4.937 11.804 1.00 0.40 C ATOM 1077 CG ASP A 67 5.449 -5.331 13.095 1.00 1.30 C ATOM 1078 OD1 ASP A 67 4.770 -5.594 14.074 1.00 1.94 O ATOM 1079 OD2 ASP A 67 6.668 -5.364 13.081 1.00 2.12 O ATOM 0 H ASP A 67 3.549 -3.758 9.927 1.00 0.29 H new ATOM 0 HA ASP A 67 3.315 -3.686 12.835 1.00 0.34 H new ATOM 0 HB2 ASP A 67 4.004 -5.707 11.530 1.00 0.40 H new ATOM 0 HB3 ASP A 67 5.440 -4.863 10.984 1.00 0.40 H new ATOM 1084 N ILE A 68 5.761 -2.082 11.297 1.00 0.30 N ATOM 1085 CA ILE A 68 6.783 -1.018 11.496 1.00 0.29 C ATOM 1086 C ILE A 68 6.066 0.304 11.792 1.00 0.27 C ATOM 1087 O ILE A 68 6.565 1.152 12.506 1.00 0.31 O ATOM 1088 CB ILE A 68 7.626 -0.886 10.219 1.00 0.30 C ATOM 1089 CG1 ILE A 68 8.232 -2.251 9.860 1.00 0.34 C ATOM 1090 CG2 ILE A 68 8.754 0.120 10.449 1.00 0.33 C ATOM 1091 CD1 ILE A 68 8.763 -2.221 8.425 1.00 0.35 C ATOM 0 H ILE A 68 5.681 -2.429 10.341 1.00 0.30 H new ATOM 0 HA ILE A 68 7.437 -1.271 12.330 1.00 0.29 H new ATOM 0 HB ILE A 68 6.990 -0.541 9.404 1.00 0.30 H new ATOM 0 HG12 ILE A 68 9.039 -2.494 10.551 1.00 0.34 H new ATOM 0 HG13 ILE A 68 7.479 -3.032 9.962 1.00 0.34 H new ATOM 0 HG21 ILE A 68 9.351 0.212 9.541 1.00 0.33 H new ATOM 0 HG22 ILE A 68 8.329 1.091 10.704 1.00 0.33 H new ATOM 0 HG23 ILE A 68 9.388 -0.224 11.266 1.00 0.33 H new ATOM 0 HD11 ILE A 68 9.192 -3.192 8.175 1.00 0.35 H new ATOM 0 HD12 ILE A 68 7.946 -1.998 7.739 1.00 0.35 H new ATOM 0 HD13 ILE A 68 9.530 -1.452 8.337 1.00 0.35 H new ATOM 1103 N TYR A 69 4.890 0.472 11.250 1.00 0.26 N ATOM 1104 CA TYR A 69 4.111 1.722 11.492 1.00 0.26 C ATOM 1105 C TYR A 69 3.778 1.828 12.984 1.00 0.28 C ATOM 1106 O TYR A 69 3.806 2.895 13.565 1.00 0.34 O ATOM 1107 CB TYR A 69 2.818 1.657 10.668 1.00 0.29 C ATOM 1108 CG TYR A 69 1.805 2.674 11.152 1.00 0.27 C ATOM 1109 CD1 TYR A 69 0.988 2.376 12.249 1.00 1.22 C ATOM 1110 CD2 TYR A 69 1.670 3.903 10.493 1.00 1.25 C ATOM 1111 CE1 TYR A 69 0.039 3.307 12.691 1.00 1.23 C ATOM 1112 CE2 TYR A 69 0.719 4.832 10.933 1.00 1.28 C ATOM 1113 CZ TYR A 69 -0.096 4.535 12.032 1.00 0.38 C ATOM 1114 OH TYR A 69 -1.034 5.451 12.464 1.00 0.47 O ATOM 0 H TYR A 69 4.431 -0.209 10.645 1.00 0.26 H new ATOM 0 HA TYR A 69 4.691 2.596 11.196 1.00 0.26 H new ATOM 0 HB2 TYR A 69 3.044 1.838 9.617 1.00 0.29 H new ATOM 0 HB3 TYR A 69 2.392 0.656 10.735 1.00 0.29 H new ATOM 0 HD1 TYR A 69 1.089 1.427 12.755 1.00 1.22 H new ATOM 0 HD2 TYR A 69 2.299 4.134 9.646 1.00 1.25 H new ATOM 0 HE1 TYR A 69 -0.588 3.078 13.540 1.00 1.23 H new ATOM 0 HE2 TYR A 69 0.614 5.779 10.424 1.00 1.28 H new ATOM 0 HH TYR A 69 -0.996 6.250 11.898 1.00 0.47 H new ATOM 1124 N LYS A 70 3.451 0.727 13.603 1.00 0.31 N ATOM 1125 CA LYS A 70 3.100 0.756 15.050 1.00 0.38 C ATOM 1126 C LYS A 70 4.346 1.048 15.896 1.00 0.38 C ATOM 1127 O LYS A 70 4.244 1.561 16.993 1.00 0.45 O ATOM 1128 CB LYS A 70 2.503 -0.593 15.460 1.00 0.50 C ATOM 1129 CG LYS A 70 1.097 -0.731 14.868 1.00 0.79 C ATOM 1130 CD LYS A 70 0.435 -2.003 15.406 1.00 0.88 C ATOM 1131 CE LYS A 70 -0.951 -2.163 14.778 1.00 1.50 C ATOM 1132 NZ LYS A 70 -1.836 -1.053 15.234 1.00 2.26 N ATOM 0 H LYS A 70 3.412 -0.194 13.167 1.00 0.31 H new ATOM 0 HA LYS A 70 2.368 1.546 15.219 1.00 0.38 H new ATOM 0 HB2 LYS A 70 3.138 -1.406 15.108 1.00 0.50 H new ATOM 0 HB3 LYS A 70 2.461 -0.669 16.547 1.00 0.50 H new ATOM 0 HG2 LYS A 70 0.496 0.141 15.126 1.00 0.79 H new ATOM 0 HG3 LYS A 70 1.152 -0.770 13.780 1.00 0.79 H new ATOM 0 HD2 LYS A 70 1.052 -2.872 15.177 1.00 0.88 H new ATOM 0 HD3 LYS A 70 0.350 -1.950 16.491 1.00 0.88 H new ATOM 0 HE2 LYS A 70 -0.872 -2.156 13.691 1.00 1.50 H new ATOM 0 HE3 LYS A 70 -1.381 -3.124 15.060 1.00 1.50 H new ATOM 0 HZ1 LYS A 70 -2.829 -1.305 15.054 1.00 2.26 H new ATOM 0 HZ2 LYS A 70 -1.698 -0.895 16.253 1.00 2.26 H new ATOM 0 HZ3 LYS A 70 -1.599 -0.184 14.714 1.00 2.26 H new ATOM 1146 N GLU A 71 5.525 0.742 15.405 1.00 0.40 N ATOM 1147 CA GLU A 71 6.751 1.019 16.189 1.00 0.52 C ATOM 1148 C GLU A 71 7.284 2.385 15.772 1.00 0.55 C ATOM 1149 O GLU A 71 6.640 3.393 15.981 1.00 1.13 O ATOM 1150 CB GLU A 71 7.790 -0.067 15.893 1.00 0.63 C ATOM 1151 CG GLU A 71 7.228 -1.432 16.300 1.00 0.99 C ATOM 1152 CD GLU A 71 8.253 -2.526 15.992 1.00 1.55 C ATOM 1153 OE1 GLU A 71 8.276 -2.987 14.863 1.00 2.13 O ATOM 1154 OE2 GLU A 71 8.995 -2.885 16.891 1.00 2.27 O ATOM 0 H GLU A 71 5.681 0.312 14.493 1.00 0.40 H new ATOM 0 HA GLU A 71 6.536 1.019 17.258 1.00 0.52 H new ATOM 0 HB2 GLU A 71 8.041 -0.066 14.832 1.00 0.63 H new ATOM 0 HB3 GLU A 71 8.711 0.137 16.439 1.00 0.63 H new ATOM 0 HG2 GLU A 71 6.988 -1.435 17.363 1.00 0.99 H new ATOM 0 HG3 GLU A 71 6.300 -1.628 15.763 1.00 0.99 H new ATOM 1161 N ALA A 72 8.473 2.427 15.242 1.00 0.59 N ATOM 1162 CA ALA A 72 9.118 3.722 14.843 1.00 0.57 C ATOM 1163 C ALA A 72 8.103 4.788 14.415 1.00 0.65 C ATOM 1164 O ALA A 72 7.784 4.929 13.251 1.00 1.23 O ATOM 1165 CB ALA A 72 10.084 3.455 13.687 1.00 0.60 C ATOM 0 H ALA A 72 9.044 1.601 15.062 1.00 0.59 H new ATOM 0 HA ALA A 72 9.641 4.111 15.717 1.00 0.57 H new ATOM 0 HB1 ALA A 72 10.560 4.389 13.387 1.00 0.60 H new ATOM 0 HB2 ALA A 72 10.847 2.745 14.007 1.00 0.60 H new ATOM 0 HB3 ALA A 72 9.534 3.040 12.842 1.00 0.60 H new ATOM 1171 N GLU A 73 7.597 5.535 15.358 1.00 0.71 N ATOM 1172 CA GLU A 73 6.603 6.602 15.040 1.00 0.77 C ATOM 1173 C GLU A 73 7.023 7.391 13.791 1.00 0.65 C ATOM 1174 O GLU A 73 6.591 7.098 12.701 1.00 1.06 O ATOM 1175 CB GLU A 73 6.507 7.566 16.225 1.00 1.08 C ATOM 1176 CG GLU A 73 5.994 6.817 17.457 1.00 1.79 C ATOM 1177 CD GLU A 73 4.495 6.555 17.310 1.00 2.15 C ATOM 1178 OE1 GLU A 73 3.802 7.440 16.835 1.00 2.62 O ATOM 1179 OE2 GLU A 73 4.064 5.473 17.675 1.00 2.60 O ATOM 0 H GLU A 73 7.832 5.451 16.347 1.00 0.71 H new ATOM 0 HA GLU A 73 5.639 6.131 14.849 1.00 0.77 H new ATOM 0 HB2 GLU A 73 7.485 8.001 16.433 1.00 1.08 H new ATOM 0 HB3 GLU A 73 5.836 8.390 15.983 1.00 1.08 H new ATOM 0 HG2 GLU A 73 6.529 5.874 17.571 1.00 1.79 H new ATOM 0 HG3 GLU A 73 6.185 7.402 18.357 1.00 1.79 H new ATOM 1186 N SER A 74 7.842 8.407 13.960 1.00 0.75 N ATOM 1187 CA SER A 74 8.293 9.265 12.807 1.00 0.62 C ATOM 1188 C SER A 74 8.293 8.491 11.480 1.00 0.55 C ATOM 1189 O SER A 74 7.938 9.021 10.446 1.00 0.63 O ATOM 1190 CB SER A 74 9.705 9.774 13.090 1.00 0.82 C ATOM 1191 OG SER A 74 9.679 10.612 14.238 1.00 1.55 O ATOM 0 H SER A 74 8.225 8.684 14.864 1.00 0.75 H new ATOM 0 HA SER A 74 7.593 10.094 12.710 1.00 0.62 H new ATOM 0 HB2 SER A 74 10.381 8.935 13.253 1.00 0.82 H new ATOM 0 HB3 SER A 74 10.084 10.326 12.230 1.00 0.82 H new ATOM 0 HG SER A 74 10.584 10.940 14.424 1.00 1.55 H new ATOM 1197 N ARG A 75 8.683 7.246 11.498 1.00 0.48 N ATOM 1198 CA ARG A 75 8.698 6.453 10.235 1.00 0.45 C ATOM 1199 C ARG A 75 7.278 6.401 9.647 1.00 0.42 C ATOM 1200 O ARG A 75 7.046 5.821 8.605 1.00 0.50 O ATOM 1201 CB ARG A 75 9.196 5.023 10.545 1.00 0.52 C ATOM 1202 CG ARG A 75 9.987 4.452 9.348 1.00 0.81 C ATOM 1203 CD ARG A 75 11.466 4.837 9.470 1.00 1.10 C ATOM 1204 NE ARG A 75 12.186 4.451 8.224 1.00 1.49 N ATOM 1205 CZ ARG A 75 13.387 4.907 7.996 1.00 2.08 C ATOM 1206 NH1 ARG A 75 13.967 5.683 8.871 1.00 2.63 N ATOM 1207 NH2 ARG A 75 14.011 4.581 6.898 1.00 2.72 N ATOM 0 H ARG A 75 8.991 6.744 12.331 1.00 0.48 H new ATOM 0 HA ARG A 75 9.365 6.919 9.510 1.00 0.45 H new ATOM 0 HB2 ARG A 75 9.829 5.037 11.433 1.00 0.52 H new ATOM 0 HB3 ARG A 75 8.347 4.377 10.768 1.00 0.52 H new ATOM 0 HG2 ARG A 75 9.886 3.367 9.318 1.00 0.81 H new ATOM 0 HG3 ARG A 75 9.578 4.836 8.414 1.00 0.81 H new ATOM 0 HD2 ARG A 75 11.560 5.910 9.639 1.00 1.10 H new ATOM 0 HD3 ARG A 75 11.913 4.338 10.330 1.00 1.10 H new ATOM 0 HE ARG A 75 11.740 3.830 7.549 1.00 1.49 H new ATOM 0 HH11 ARG A 75 13.481 5.933 9.733 1.00 2.63 H new ATOM 0 HH12 ARG A 75 14.906 6.040 8.693 1.00 2.63 H new ATOM 0 HH21 ARG A 75 13.560 3.970 6.217 1.00 2.72 H new ATOM 0 HH22 ARG A 75 14.950 4.938 6.720 1.00 2.72 H new ATOM 1221 N ARG A 76 6.329 6.993 10.320 1.00 0.41 N ATOM 1222 CA ARG A 76 4.921 6.974 9.826 1.00 0.47 C ATOM 1223 C ARG A 76 4.814 7.730 8.495 1.00 0.43 C ATOM 1224 O ARG A 76 4.049 7.364 7.624 1.00 0.45 O ATOM 1225 CB ARG A 76 4.021 7.651 10.874 1.00 0.57 C ATOM 1226 CG ARG A 76 3.643 6.645 11.971 1.00 1.08 C ATOM 1227 CD ARG A 76 2.913 7.364 13.118 1.00 1.14 C ATOM 1228 NE ARG A 76 3.069 6.586 14.391 1.00 1.76 N ATOM 1229 CZ ARG A 76 2.777 5.312 14.451 1.00 2.01 C ATOM 1230 NH1 ARG A 76 2.187 4.721 13.451 1.00 1.55 N ATOM 1231 NH2 ARG A 76 3.023 4.640 15.542 1.00 3.05 N ATOM 0 H ARG A 76 6.469 7.493 11.198 1.00 0.41 H new ATOM 0 HA ARG A 76 4.606 5.943 9.668 1.00 0.47 H new ATOM 0 HB2 ARG A 76 4.539 8.503 11.314 1.00 0.57 H new ATOM 0 HB3 ARG A 76 3.120 8.037 10.397 1.00 0.57 H new ATOM 0 HG2 ARG A 76 3.005 5.865 11.556 1.00 1.08 H new ATOM 0 HG3 ARG A 76 4.540 6.155 12.351 1.00 1.08 H new ATOM 0 HD2 ARG A 76 3.317 8.369 13.244 1.00 1.14 H new ATOM 0 HD3 ARG A 76 1.856 7.473 12.876 1.00 1.14 H new ATOM 0 HE ARG A 76 3.410 7.060 15.227 1.00 1.76 H new ATOM 0 HH11 ARG A 76 1.949 5.252 12.613 1.00 1.55 H new ATOM 0 HH12 ARG A 76 1.963 3.727 13.506 1.00 1.55 H new ATOM 0 HH21 ARG A 76 3.442 5.108 16.346 1.00 3.05 H new ATOM 0 HH22 ARG A 76 2.796 3.647 15.591 1.00 3.05 H new ATOM 1245 N ARG A 77 5.556 8.790 8.336 1.00 0.40 N ATOM 1246 CA ARG A 77 5.474 9.574 7.071 1.00 0.43 C ATOM 1247 C ARG A 77 5.695 8.656 5.866 1.00 0.39 C ATOM 1248 O ARG A 77 4.933 8.668 4.919 1.00 0.39 O ATOM 1249 CB ARG A 77 6.549 10.665 7.086 1.00 0.48 C ATOM 1250 CG ARG A 77 6.248 11.670 8.207 1.00 1.10 C ATOM 1251 CD ARG A 77 7.523 12.433 8.577 1.00 1.24 C ATOM 1252 NE ARG A 77 7.181 13.560 9.489 1.00 1.80 N ATOM 1253 CZ ARG A 77 8.118 14.140 10.189 1.00 2.30 C ATOM 1254 NH1 ARG A 77 9.350 13.720 10.105 1.00 2.43 N ATOM 1255 NH2 ARG A 77 7.820 15.136 10.978 1.00 3.22 N ATOM 0 H ARG A 77 6.216 9.148 9.027 1.00 0.40 H new ATOM 0 HA ARG A 77 4.486 10.027 6.993 1.00 0.43 H new ATOM 0 HB2 ARG A 77 7.532 10.219 7.238 1.00 0.48 H new ATOM 0 HB3 ARG A 77 6.576 11.176 6.124 1.00 0.48 H new ATOM 0 HG2 ARG A 77 5.476 12.369 7.884 1.00 1.10 H new ATOM 0 HG3 ARG A 77 5.859 11.148 9.081 1.00 1.10 H new ATOM 0 HD2 ARG A 77 8.233 11.762 9.061 1.00 1.24 H new ATOM 0 HD3 ARG A 77 8.006 12.813 7.677 1.00 1.24 H new ATOM 0 HE ARG A 77 6.215 13.878 9.567 1.00 1.80 H new ATOM 0 HH11 ARG A 77 9.582 12.938 9.492 1.00 2.43 H new ATOM 0 HH12 ARG A 77 10.082 14.173 10.652 1.00 2.43 H new ATOM 0 HH21 ARG A 77 6.856 15.461 11.047 1.00 3.22 H new ATOM 0 HH22 ARG A 77 8.552 15.590 11.525 1.00 3.22 H new ATOM 1269 N GLU A 78 6.735 7.872 5.883 1.00 0.36 N ATOM 1270 CA GLU A 78 7.003 6.971 4.728 1.00 0.36 C ATOM 1271 C GLU A 78 5.988 5.825 4.699 1.00 0.30 C ATOM 1272 O GLU A 78 5.522 5.432 3.650 1.00 0.32 O ATOM 1273 CB GLU A 78 8.413 6.390 4.855 1.00 0.40 C ATOM 1274 CG GLU A 78 9.448 7.509 4.725 1.00 0.91 C ATOM 1275 CD GLU A 78 9.379 8.417 5.954 1.00 1.56 C ATOM 1276 OE1 GLU A 78 9.359 7.892 7.055 1.00 2.13 O ATOM 1277 OE2 GLU A 78 9.348 9.623 5.773 1.00 2.33 O ATOM 0 H GLU A 78 7.411 7.816 6.645 1.00 0.36 H new ATOM 0 HA GLU A 78 6.917 7.546 3.806 1.00 0.36 H new ATOM 0 HB2 GLU A 78 8.525 5.889 5.817 1.00 0.40 H new ATOM 0 HB3 GLU A 78 8.578 5.638 4.083 1.00 0.40 H new ATOM 0 HG2 GLU A 78 10.447 7.084 4.630 1.00 0.91 H new ATOM 0 HG3 GLU A 78 9.260 8.089 3.821 1.00 0.91 H new ATOM 1284 N CYS A 79 5.632 5.288 5.834 1.00 0.27 N ATOM 1285 CA CYS A 79 4.648 4.167 5.846 1.00 0.25 C ATOM 1286 C CYS A 79 3.312 4.641 5.272 1.00 0.23 C ATOM 1287 O CYS A 79 2.667 3.940 4.517 1.00 0.24 O ATOM 1288 CB CYS A 79 4.444 3.684 7.283 1.00 0.29 C ATOM 1289 SG CYS A 79 6.026 3.125 7.961 1.00 1.19 S ATOM 0 H CYS A 79 5.978 5.575 6.750 1.00 0.27 H new ATOM 0 HA CYS A 79 5.029 3.348 5.236 1.00 0.25 H new ATOM 0 HB2 CYS A 79 4.038 4.490 7.895 1.00 0.29 H new ATOM 0 HB3 CYS A 79 3.719 2.871 7.305 1.00 0.29 H new ATOM 0 HG CYS A 79 6.797 4.151 8.166 1.00 1.19 H new ATOM 1295 N LEU A 80 2.888 5.821 5.625 1.00 0.23 N ATOM 1296 CA LEU A 80 1.593 6.332 5.100 1.00 0.23 C ATOM 1297 C LEU A 80 1.664 6.415 3.572 1.00 0.21 C ATOM 1298 O LEU A 80 0.697 6.158 2.882 1.00 0.21 O ATOM 1299 CB LEU A 80 1.322 7.721 5.695 1.00 0.26 C ATOM 1300 CG LEU A 80 1.095 7.605 7.219 1.00 0.27 C ATOM 1301 CD1 LEU A 80 1.400 8.947 7.890 1.00 0.34 C ATOM 1302 CD2 LEU A 80 -0.364 7.232 7.513 1.00 0.42 C ATOM 0 H LEU A 80 3.382 6.454 6.254 1.00 0.23 H new ATOM 0 HA LEU A 80 0.783 5.659 5.381 1.00 0.23 H new ATOM 0 HB2 LEU A 80 2.164 8.383 5.493 1.00 0.26 H new ATOM 0 HB3 LEU A 80 0.447 8.165 5.221 1.00 0.26 H new ATOM 0 HG LEU A 80 1.756 6.831 7.609 1.00 0.27 H new ATOM 0 HD11 LEU A 80 1.239 8.861 8.965 1.00 0.34 H new ATOM 0 HD12 LEU A 80 2.437 9.222 7.699 1.00 0.34 H new ATOM 0 HD13 LEU A 80 0.741 9.715 7.484 1.00 0.34 H new ATOM 0 HD21 LEU A 80 -0.510 7.154 8.590 1.00 0.42 H new ATOM 0 HD22 LEU A 80 -1.024 8.002 7.113 1.00 0.42 H new ATOM 0 HD23 LEU A 80 -0.596 6.275 7.045 1.00 0.42 H new ATOM 1314 N TYR A 81 2.799 6.777 3.038 1.00 0.22 N ATOM 1315 CA TYR A 81 2.929 6.881 1.555 1.00 0.23 C ATOM 1316 C TYR A 81 2.902 5.482 0.922 1.00 0.22 C ATOM 1317 O TYR A 81 2.149 5.221 0.005 1.00 0.22 O ATOM 1318 CB TYR A 81 4.254 7.568 1.213 1.00 0.26 C ATOM 1319 CG TYR A 81 4.424 7.627 -0.287 1.00 0.30 C ATOM 1320 CD1 TYR A 81 3.877 8.692 -1.013 1.00 1.05 C ATOM 1321 CD2 TYR A 81 5.131 6.617 -0.952 1.00 1.26 C ATOM 1322 CE1 TYR A 81 4.037 8.747 -2.404 1.00 1.04 C ATOM 1323 CE2 TYR A 81 5.291 6.672 -2.342 1.00 1.31 C ATOM 1324 CZ TYR A 81 4.743 7.737 -3.068 1.00 0.46 C ATOM 1325 OH TYR A 81 4.900 7.792 -4.438 1.00 0.55 O ATOM 0 H TYR A 81 3.642 7.005 3.564 1.00 0.22 H new ATOM 0 HA TYR A 81 2.096 7.464 1.163 1.00 0.23 H new ATOM 0 HB2 TYR A 81 4.271 8.575 1.631 1.00 0.26 H new ATOM 0 HB3 TYR A 81 5.084 7.022 1.662 1.00 0.26 H new ATOM 0 HD1 TYR A 81 3.332 9.471 -0.501 1.00 1.05 H new ATOM 0 HD2 TYR A 81 5.553 5.795 -0.392 1.00 1.26 H new ATOM 0 HE1 TYR A 81 3.616 9.569 -2.964 1.00 1.04 H new ATOM 0 HE2 TYR A 81 5.837 5.893 -2.854 1.00 1.31 H new ATOM 0 HH TYR A 81 5.415 7.015 -4.740 1.00 0.55 H new ATOM 1335 N TYR A 82 3.722 4.585 1.399 1.00 0.23 N ATOM 1336 CA TYR A 82 3.746 3.206 0.815 1.00 0.23 C ATOM 1337 C TYR A 82 2.428 2.472 1.108 1.00 0.22 C ATOM 1338 O TYR A 82 1.983 1.660 0.322 1.00 0.24 O ATOM 1339 CB TYR A 82 4.910 2.407 1.414 1.00 0.25 C ATOM 1340 CG TYR A 82 6.216 2.855 0.795 1.00 0.25 C ATOM 1341 CD1 TYR A 82 6.536 2.475 -0.513 1.00 1.13 C ATOM 1342 CD2 TYR A 82 7.108 3.643 1.530 1.00 1.30 C ATOM 1343 CE1 TYR A 82 7.747 2.885 -1.085 1.00 1.12 C ATOM 1344 CE2 TYR A 82 8.319 4.053 0.960 1.00 1.33 C ATOM 1345 CZ TYR A 82 8.639 3.674 -0.348 1.00 0.31 C ATOM 1346 OH TYR A 82 9.833 4.075 -0.910 1.00 0.36 O ATOM 0 H TYR A 82 4.376 4.743 2.166 1.00 0.23 H new ATOM 0 HA TYR A 82 3.873 3.293 -0.264 1.00 0.23 H new ATOM 0 HB2 TYR A 82 4.942 2.549 2.494 1.00 0.25 H new ATOM 0 HB3 TYR A 82 4.760 1.342 1.237 1.00 0.25 H new ATOM 0 HD1 TYR A 82 5.849 1.866 -1.082 1.00 1.13 H new ATOM 0 HD2 TYR A 82 6.862 3.936 2.540 1.00 1.30 H new ATOM 0 HE1 TYR A 82 7.993 2.592 -2.095 1.00 1.12 H new ATOM 0 HE2 TYR A 82 9.006 4.661 1.530 1.00 1.33 H new ATOM 0 HH TYR A 82 10.333 4.617 -0.264 1.00 0.36 H new ATOM 1356 N LEU A 83 1.789 2.748 2.215 1.00 0.21 N ATOM 1357 CA LEU A 83 0.505 2.056 2.510 1.00 0.20 C ATOM 1358 C LEU A 83 -0.537 2.502 1.489 1.00 0.20 C ATOM 1359 O LEU A 83 -1.336 1.713 1.028 1.00 0.25 O ATOM 1360 CB LEU A 83 0.036 2.409 3.927 1.00 0.20 C ATOM 1361 CG LEU A 83 0.872 1.641 4.968 1.00 0.22 C ATOM 1362 CD1 LEU A 83 0.684 2.285 6.346 1.00 0.24 C ATOM 1363 CD2 LEU A 83 0.435 0.164 5.034 1.00 0.25 C ATOM 0 H LEU A 83 2.099 3.417 2.920 1.00 0.21 H new ATOM 0 HA LEU A 83 0.643 0.976 2.448 1.00 0.20 H new ATOM 0 HB2 LEU A 83 0.131 3.482 4.093 1.00 0.20 H new ATOM 0 HB3 LEU A 83 -1.019 2.161 4.042 1.00 0.20 H new ATOM 0 HG LEU A 83 1.921 1.684 4.674 1.00 0.22 H new ATOM 0 HD11 LEU A 83 1.275 1.743 7.085 1.00 0.24 H new ATOM 0 HD12 LEU A 83 1.012 3.324 6.310 1.00 0.24 H new ATOM 0 HD13 LEU A 83 -0.369 2.247 6.625 1.00 0.24 H new ATOM 0 HD21 LEU A 83 1.038 -0.361 5.775 1.00 0.25 H new ATOM 0 HD22 LEU A 83 -0.616 0.108 5.316 1.00 0.25 H new ATOM 0 HD23 LEU A 83 0.574 -0.301 4.058 1.00 0.25 H new ATOM 1375 N THR A 84 -0.529 3.753 1.111 1.00 0.19 N ATOM 1376 CA THR A 84 -1.513 4.229 0.104 1.00 0.19 C ATOM 1377 C THR A 84 -1.325 3.439 -1.190 1.00 0.22 C ATOM 1378 O THR A 84 -2.276 3.050 -1.838 1.00 0.24 O ATOM 1379 CB THR A 84 -1.266 5.718 -0.165 1.00 0.20 C ATOM 1380 OG1 THR A 84 -1.380 6.441 1.053 1.00 0.22 O ATOM 1381 CG2 THR A 84 -2.291 6.246 -1.170 1.00 0.18 C ATOM 0 H THR A 84 0.117 4.462 1.457 1.00 0.19 H new ATOM 0 HA THR A 84 -2.528 4.085 0.474 1.00 0.19 H new ATOM 0 HB THR A 84 -0.265 5.847 -0.577 1.00 0.20 H new ATOM 0 HG1 THR A 84 -0.582 6.288 1.600 1.00 0.22 H new ATOM 0 HG21 THR A 84 -2.108 7.304 -1.355 1.00 0.18 H new ATOM 0 HG22 THR A 84 -2.201 5.694 -2.105 1.00 0.18 H new ATOM 0 HG23 THR A 84 -3.296 6.117 -0.767 1.00 0.18 H new ATOM 1389 N ILE A 85 -0.100 3.203 -1.572 1.00 0.23 N ATOM 1390 CA ILE A 85 0.156 2.444 -2.827 1.00 0.27 C ATOM 1391 C ILE A 85 -0.223 0.978 -2.629 1.00 0.29 C ATOM 1392 O ILE A 85 -0.969 0.408 -3.400 1.00 0.31 O ATOM 1393 CB ILE A 85 1.642 2.540 -3.186 1.00 0.29 C ATOM 1394 CG1 ILE A 85 1.979 3.996 -3.534 1.00 0.31 C ATOM 1395 CG2 ILE A 85 1.949 1.616 -4.380 1.00 0.32 C ATOM 1396 CD1 ILE A 85 3.494 4.154 -3.682 1.00 0.61 C ATOM 0 H ILE A 85 0.735 3.503 -1.069 1.00 0.23 H new ATOM 0 HA ILE A 85 -0.444 2.867 -3.633 1.00 0.27 H new ATOM 0 HB ILE A 85 2.251 2.224 -2.339 1.00 0.29 H new ATOM 0 HG12 ILE A 85 1.482 4.283 -4.460 1.00 0.31 H new ATOM 0 HG13 ILE A 85 1.609 4.661 -2.754 1.00 0.31 H new ATOM 0 HG21 ILE A 85 3.007 1.687 -4.632 1.00 0.32 H new ATOM 0 HG22 ILE A 85 1.707 0.587 -4.115 1.00 0.32 H new ATOM 0 HG23 ILE A 85 1.350 1.920 -5.239 1.00 0.32 H new ATOM 0 HD11 ILE A 85 3.729 5.189 -3.929 1.00 0.61 H new ATOM 0 HD12 ILE A 85 3.981 3.885 -2.745 1.00 0.61 H new ATOM 0 HD13 ILE A 85 3.852 3.501 -4.478 1.00 0.61 H new ATOM 1408 N GLY A 86 0.278 0.368 -1.597 1.00 0.30 N ATOM 1409 CA GLY A 86 -0.062 -1.057 -1.348 1.00 0.33 C ATOM 1410 C GLY A 86 -1.568 -1.173 -1.131 1.00 0.33 C ATOM 1411 O GLY A 86 -2.215 -2.065 -1.639 1.00 0.39 O ATOM 0 H GLY A 86 0.907 0.792 -0.916 1.00 0.30 H new ATOM 0 HA2 GLY A 86 0.246 -1.672 -2.194 1.00 0.33 H new ATOM 0 HA3 GLY A 86 0.475 -1.426 -0.474 1.00 0.33 H new ATOM 1415 N CYS A 87 -2.132 -0.272 -0.377 1.00 0.29 N ATOM 1416 CA CYS A 87 -3.594 -0.328 -0.115 1.00 0.30 C ATOM 1417 C CYS A 87 -4.381 -0.045 -1.402 1.00 0.35 C ATOM 1418 O CYS A 87 -5.464 -0.559 -1.596 1.00 0.42 O ATOM 1419 CB CYS A 87 -3.959 0.714 0.943 1.00 0.29 C ATOM 1420 SG CYS A 87 -3.125 0.311 2.498 1.00 1.29 S ATOM 0 H CYS A 87 -1.641 0.502 0.070 1.00 0.29 H new ATOM 0 HA CYS A 87 -3.850 -1.326 0.242 1.00 0.30 H new ATOM 0 HB2 CYS A 87 -3.664 1.708 0.607 1.00 0.29 H new ATOM 0 HB3 CYS A 87 -5.039 0.735 1.091 1.00 0.29 H new ATOM 0 HG CYS A 87 -1.911 0.776 2.473 1.00 1.29 H new ATOM 1426 N TYR A 88 -3.867 0.789 -2.271 1.00 0.33 N ATOM 1427 CA TYR A 88 -4.614 1.118 -3.521 1.00 0.40 C ATOM 1428 C TYR A 88 -4.729 -0.107 -4.440 1.00 0.43 C ATOM 1429 O TYR A 88 -5.791 -0.410 -4.946 1.00 0.52 O ATOM 1430 CB TYR A 88 -3.884 2.242 -4.264 1.00 0.46 C ATOM 1431 CG TYR A 88 -4.570 2.503 -5.588 1.00 0.48 C ATOM 1432 CD1 TYR A 88 -5.853 3.063 -5.610 1.00 1.24 C ATOM 1433 CD2 TYR A 88 -3.928 2.179 -6.791 1.00 1.37 C ATOM 1434 CE1 TYR A 88 -6.493 3.300 -6.833 1.00 1.28 C ATOM 1435 CE2 TYR A 88 -4.569 2.416 -8.013 1.00 1.37 C ATOM 1436 CZ TYR A 88 -5.851 2.977 -8.034 1.00 0.59 C ATOM 1437 OH TYR A 88 -6.484 3.209 -9.238 1.00 0.66 O ATOM 0 H TYR A 88 -2.965 1.254 -2.169 1.00 0.33 H new ATOM 0 HA TYR A 88 -5.620 1.435 -3.247 1.00 0.40 H new ATOM 0 HB2 TYR A 88 -3.880 3.149 -3.660 1.00 0.46 H new ATOM 0 HB3 TYR A 88 -2.843 1.966 -4.430 1.00 0.46 H new ATOM 0 HD1 TYR A 88 -6.349 3.312 -4.684 1.00 1.24 H new ATOM 0 HD2 TYR A 88 -2.939 1.746 -6.775 1.00 1.37 H new ATOM 0 HE1 TYR A 88 -7.483 3.732 -6.849 1.00 1.28 H new ATOM 0 HE2 TYR A 88 -4.074 2.166 -8.940 1.00 1.37 H new ATOM 0 HH TYR A 88 -5.900 2.929 -9.974 1.00 0.66 H new ATOM 1447 N LYS A 89 -3.649 -0.798 -4.682 1.00 0.43 N ATOM 1448 CA LYS A 89 -3.710 -1.980 -5.595 1.00 0.51 C ATOM 1449 C LYS A 89 -4.283 -3.199 -4.861 1.00 0.36 C ATOM 1450 O LYS A 89 -4.722 -4.149 -5.479 1.00 0.37 O ATOM 1451 CB LYS A 89 -2.290 -2.319 -6.085 1.00 0.70 C ATOM 1452 CG LYS A 89 -1.885 -1.378 -7.225 1.00 1.00 C ATOM 1453 CD LYS A 89 -0.478 -1.745 -7.726 1.00 1.24 C ATOM 1454 CE LYS A 89 -0.478 -3.146 -8.359 1.00 1.56 C ATOM 1455 NZ LYS A 89 0.624 -3.237 -9.360 1.00 2.05 N ATOM 0 H LYS A 89 -2.729 -0.598 -4.290 1.00 0.43 H new ATOM 0 HA LYS A 89 -4.355 -1.735 -6.439 1.00 0.51 H new ATOM 0 HB2 LYS A 89 -1.582 -2.230 -5.261 1.00 0.70 H new ATOM 0 HB3 LYS A 89 -2.253 -3.353 -6.427 1.00 0.70 H new ATOM 0 HG2 LYS A 89 -2.603 -1.451 -8.042 1.00 1.00 H new ATOM 0 HG3 LYS A 89 -1.900 -0.345 -6.879 1.00 1.00 H new ATOM 0 HD2 LYS A 89 -0.143 -1.009 -8.457 1.00 1.24 H new ATOM 0 HD3 LYS A 89 0.229 -1.715 -6.897 1.00 1.24 H new ATOM 0 HE2 LYS A 89 -0.348 -3.905 -7.588 1.00 1.56 H new ATOM 0 HE3 LYS A 89 -1.437 -3.340 -8.839 1.00 1.56 H new ATOM 0 HZ1 LYS A 89 0.626 -4.184 -9.789 1.00 2.05 H new ATOM 0 HZ2 LYS A 89 0.480 -2.521 -10.101 1.00 2.05 H new ATOM 0 HZ3 LYS A 89 1.536 -3.069 -8.889 1.00 2.05 H new ATOM 1469 N LEU A 90 -4.226 -3.216 -3.559 1.00 0.32 N ATOM 1470 CA LEU A 90 -4.704 -4.410 -2.811 1.00 0.47 C ATOM 1471 C LEU A 90 -6.231 -4.469 -2.671 1.00 0.56 C ATOM 1472 O LEU A 90 -6.752 -5.547 -2.464 1.00 0.89 O ATOM 1473 CB LEU A 90 -4.078 -4.396 -1.406 1.00 0.55 C ATOM 1474 CG LEU A 90 -2.623 -4.888 -1.466 1.00 0.57 C ATOM 1475 CD1 LEU A 90 -1.958 -4.645 -0.108 1.00 0.71 C ATOM 1476 CD2 LEU A 90 -2.571 -6.392 -1.814 1.00 0.56 C ATOM 0 H LEU A 90 -3.869 -2.455 -2.981 1.00 0.32 H new ATOM 0 HA LEU A 90 -4.401 -5.288 -3.381 1.00 0.47 H new ATOM 0 HB2 LEU A 90 -4.111 -3.387 -0.996 1.00 0.55 H new ATOM 0 HB3 LEU A 90 -4.657 -5.032 -0.736 1.00 0.55 H new ATOM 0 HG LEU A 90 -2.092 -4.339 -2.243 1.00 0.57 H new ATOM 0 HD11 LEU A 90 -0.925 -4.991 -0.142 1.00 0.71 H new ATOM 0 HD12 LEU A 90 -1.976 -3.579 0.121 1.00 0.71 H new ATOM 0 HD13 LEU A 90 -2.499 -5.191 0.665 1.00 0.71 H new ATOM 0 HD21 LEU A 90 -1.533 -6.721 -1.852 1.00 0.56 H new ATOM 0 HD22 LEU A 90 -3.104 -6.960 -1.052 1.00 0.56 H new ATOM 0 HD23 LEU A 90 -3.039 -6.557 -2.784 1.00 0.56 H new ATOM 1488 N GLY A 91 -6.969 -3.363 -2.712 1.00 0.56 N ATOM 1489 CA GLY A 91 -8.466 -3.483 -2.491 1.00 0.91 C ATOM 1490 C GLY A 91 -8.902 -2.610 -1.315 1.00 0.69 C ATOM 1491 O GLY A 91 -10.064 -2.279 -1.185 1.00 0.69 O ATOM 0 H GLY A 91 -6.617 -2.421 -2.882 1.00 0.56 H new ATOM 0 HA2 GLY A 91 -8.999 -3.182 -3.393 1.00 0.91 H new ATOM 0 HA3 GLY A 91 -8.729 -4.523 -2.298 1.00 0.91 H new ATOM 1495 N GLU A 92 -7.997 -2.224 -0.459 1.00 0.54 N ATOM 1496 CA GLU A 92 -8.378 -1.360 0.702 1.00 0.42 C ATOM 1497 C GLU A 92 -8.192 0.118 0.324 1.00 0.34 C ATOM 1498 O GLU A 92 -7.369 0.811 0.888 1.00 0.39 O ATOM 1499 CB GLU A 92 -7.481 -1.717 1.891 1.00 0.44 C ATOM 1500 CG GLU A 92 -7.262 -3.231 1.923 1.00 0.55 C ATOM 1501 CD GLU A 92 -6.559 -3.618 3.225 1.00 1.42 C ATOM 1502 OE1 GLU A 92 -5.344 -3.514 3.272 1.00 2.18 O ATOM 1503 OE2 GLU A 92 -7.246 -4.012 4.152 1.00 2.06 O ATOM 0 H GLU A 92 -7.008 -2.468 -0.510 1.00 0.54 H new ATOM 0 HA GLU A 92 -9.422 -1.524 0.969 1.00 0.42 H new ATOM 0 HB2 GLU A 92 -6.524 -1.201 1.807 1.00 0.44 H new ATOM 0 HB3 GLU A 92 -7.942 -1.385 2.821 1.00 0.44 H new ATOM 0 HG2 GLU A 92 -8.218 -3.749 1.846 1.00 0.55 H new ATOM 0 HG3 GLU A 92 -6.662 -3.540 1.067 1.00 0.55 H new ATOM 1510 N TYR A 93 -8.943 0.608 -0.637 1.00 0.33 N ATOM 1511 CA TYR A 93 -8.773 2.041 -1.035 1.00 0.31 C ATOM 1512 C TYR A 93 -9.356 2.950 0.054 1.00 0.25 C ATOM 1513 O TYR A 93 -9.012 4.113 0.145 1.00 0.27 O ATOM 1514 CB TYR A 93 -9.465 2.348 -2.383 1.00 0.41 C ATOM 1515 CG TYR A 93 -9.626 1.095 -3.204 1.00 0.53 C ATOM 1516 CD1 TYR A 93 -10.749 0.280 -3.019 1.00 1.42 C ATOM 1517 CD2 TYR A 93 -8.670 0.763 -4.170 1.00 1.28 C ATOM 1518 CE1 TYR A 93 -10.916 -0.868 -3.801 1.00 1.57 C ATOM 1519 CE2 TYR A 93 -8.834 -0.388 -4.949 1.00 1.35 C ATOM 1520 CZ TYR A 93 -9.958 -1.203 -4.766 1.00 0.95 C ATOM 1521 OH TYR A 93 -10.124 -2.334 -5.538 1.00 1.19 O ATOM 0 H TYR A 93 -9.653 0.088 -1.153 1.00 0.33 H new ATOM 0 HA TYR A 93 -7.706 2.229 -1.153 1.00 0.31 H new ATOM 0 HB2 TYR A 93 -10.442 2.796 -2.201 1.00 0.41 H new ATOM 0 HB3 TYR A 93 -8.878 3.079 -2.939 1.00 0.41 H new ATOM 0 HD1 TYR A 93 -11.486 0.537 -2.273 1.00 1.42 H new ATOM 0 HD2 TYR A 93 -7.806 1.395 -4.314 1.00 1.28 H new ATOM 0 HE1 TYR A 93 -11.784 -1.496 -3.661 1.00 1.57 H new ATOM 0 HE2 TYR A 93 -8.094 -0.648 -5.691 1.00 1.35 H new ATOM 0 HH TYR A 93 -9.370 -2.420 -6.159 1.00 1.19 H new ATOM 1531 N SER A 94 -10.232 2.444 0.879 1.00 0.24 N ATOM 1532 CA SER A 94 -10.816 3.302 1.943 1.00 0.28 C ATOM 1533 C SER A 94 -9.698 3.831 2.836 1.00 0.29 C ATOM 1534 O SER A 94 -9.586 5.016 3.075 1.00 0.39 O ATOM 1535 CB SER A 94 -11.790 2.475 2.785 1.00 0.30 C ATOM 1536 OG SER A 94 -11.067 1.477 3.494 1.00 1.12 O ATOM 0 H SER A 94 -10.565 1.480 0.861 1.00 0.24 H new ATOM 0 HA SER A 94 -11.347 4.138 1.488 1.00 0.28 H new ATOM 0 HB2 SER A 94 -12.323 3.120 3.484 1.00 0.30 H new ATOM 0 HB3 SER A 94 -12.540 2.011 2.144 1.00 0.30 H new ATOM 0 HG SER A 94 -11.688 0.946 4.036 1.00 1.12 H new ATOM 1542 N MET A 95 -8.870 2.958 3.331 1.00 0.27 N ATOM 1543 CA MET A 95 -7.762 3.402 4.215 1.00 0.36 C ATOM 1544 C MET A 95 -6.662 4.056 3.387 1.00 0.26 C ATOM 1545 O MET A 95 -5.952 4.920 3.862 1.00 0.26 O ATOM 1546 CB MET A 95 -7.199 2.197 4.958 1.00 0.48 C ATOM 1547 CG MET A 95 -6.795 1.116 3.955 1.00 0.81 C ATOM 1548 SD MET A 95 -6.048 -0.283 4.832 1.00 1.25 S ATOM 1549 CE MET A 95 -7.459 -0.686 5.893 1.00 0.83 C ATOM 0 H MET A 95 -8.913 1.953 3.161 1.00 0.27 H new ATOM 0 HA MET A 95 -8.142 4.130 4.932 1.00 0.36 H new ATOM 0 HB2 MET A 95 -6.336 2.495 5.553 1.00 0.48 H new ATOM 0 HB3 MET A 95 -7.943 1.804 5.651 1.00 0.48 H new ATOM 0 HG2 MET A 95 -7.668 0.782 3.395 1.00 0.81 H new ATOM 0 HG3 MET A 95 -6.089 1.523 3.232 1.00 0.81 H new ATOM 0 HE1 MET A 95 -7.427 -1.744 6.154 1.00 0.83 H new ATOM 0 HE2 MET A 95 -7.414 -0.086 6.802 1.00 0.83 H new ATOM 0 HE3 MET A 95 -8.386 -0.471 5.362 1.00 0.83 H new ATOM 1559 N ALA A 96 -6.519 3.676 2.147 1.00 0.23 N ATOM 1560 CA ALA A 96 -5.471 4.313 1.311 1.00 0.20 C ATOM 1561 C ALA A 96 -5.699 5.821 1.341 1.00 0.18 C ATOM 1562 O ALA A 96 -4.777 6.599 1.490 1.00 0.19 O ATOM 1563 CB ALA A 96 -5.568 3.800 -0.127 1.00 0.23 C ATOM 0 H ALA A 96 -7.077 2.959 1.683 1.00 0.23 H new ATOM 0 HA ALA A 96 -4.480 4.071 1.696 1.00 0.20 H new ATOM 0 HB1 ALA A 96 -4.796 4.272 -0.735 1.00 0.23 H new ATOM 0 HB2 ALA A 96 -5.428 2.719 -0.138 1.00 0.23 H new ATOM 0 HB3 ALA A 96 -6.549 4.043 -0.535 1.00 0.23 H new ATOM 1569 N LYS A 97 -6.929 6.240 1.203 1.00 0.19 N ATOM 1570 CA LYS A 97 -7.228 7.694 1.227 1.00 0.21 C ATOM 1571 C LYS A 97 -6.957 8.250 2.624 1.00 0.21 C ATOM 1572 O LYS A 97 -6.463 9.350 2.763 1.00 0.22 O ATOM 1573 CB LYS A 97 -8.696 7.927 0.864 1.00 0.29 C ATOM 1574 CG LYS A 97 -8.922 9.415 0.580 1.00 0.44 C ATOM 1575 CD LYS A 97 -10.423 9.699 0.480 1.00 0.78 C ATOM 1576 CE LYS A 97 -10.641 11.107 -0.079 1.00 1.07 C ATOM 1577 NZ LYS A 97 -9.977 12.104 0.808 1.00 2.10 N ATOM 0 H LYS A 97 -7.739 5.633 1.075 1.00 0.19 H new ATOM 0 HA LYS A 97 -6.591 8.202 0.502 1.00 0.21 H new ATOM 0 HB2 LYS A 97 -8.964 7.334 -0.011 1.00 0.29 H new ATOM 0 HB3 LYS A 97 -9.340 7.600 1.680 1.00 0.29 H new ATOM 0 HG2 LYS A 97 -8.480 10.018 1.373 1.00 0.44 H new ATOM 0 HG3 LYS A 97 -8.426 9.697 -0.349 1.00 0.44 H new ATOM 0 HD2 LYS A 97 -10.901 8.962 -0.166 1.00 0.78 H new ATOM 0 HD3 LYS A 97 -10.887 9.611 1.462 1.00 0.78 H new ATOM 0 HE2 LYS A 97 -10.235 11.176 -1.088 1.00 1.07 H new ATOM 0 HE3 LYS A 97 -11.708 11.321 -0.149 1.00 1.07 H new ATOM 0 HZ1 LYS A 97 -10.303 13.060 0.561 1.00 2.10 H new ATOM 0 HZ2 LYS A 97 -10.218 11.901 1.799 1.00 2.10 H new ATOM 0 HZ3 LYS A 97 -8.946 12.047 0.684 1.00 2.10 H new ATOM 1591 N ARG A 98 -7.270 7.523 3.673 1.00 0.22 N ATOM 1592 CA ARG A 98 -7.012 8.058 5.040 1.00 0.25 C ATOM 1593 C ARG A 98 -5.532 8.407 5.198 1.00 0.20 C ATOM 1594 O ARG A 98 -5.183 9.424 5.763 1.00 0.21 O ATOM 1595 CB ARG A 98 -7.373 6.987 6.081 1.00 0.33 C ATOM 1596 CG ARG A 98 -8.852 6.600 5.953 1.00 1.18 C ATOM 1597 CD ARG A 98 -9.198 5.448 6.925 1.00 1.28 C ATOM 1598 NE ARG A 98 -9.722 6.022 8.197 1.00 1.90 N ATOM 1599 CZ ARG A 98 -10.368 5.264 9.040 1.00 2.29 C ATOM 1600 NH1 ARG A 98 -10.555 4.001 8.772 1.00 2.29 N ATOM 1601 NH2 ARG A 98 -10.830 5.770 10.152 1.00 3.20 N ATOM 0 H ARG A 98 -7.688 6.593 3.638 1.00 0.22 H new ATOM 0 HA ARG A 98 -7.617 8.952 5.187 1.00 0.25 H new ATOM 0 HB2 ARG A 98 -6.746 6.107 5.940 1.00 0.33 H new ATOM 0 HB3 ARG A 98 -7.174 7.363 7.084 1.00 0.33 H new ATOM 0 HG2 ARG A 98 -9.480 7.465 6.167 1.00 1.18 H new ATOM 0 HG3 ARG A 98 -9.067 6.296 4.929 1.00 1.18 H new ATOM 0 HD2 ARG A 98 -9.941 4.788 6.476 1.00 1.28 H new ATOM 0 HD3 ARG A 98 -8.312 4.844 7.122 1.00 1.28 H new ATOM 0 HE ARG A 98 -9.575 7.009 8.409 1.00 1.90 H new ATOM 0 HH11 ARG A 98 -10.196 3.605 7.903 1.00 2.29 H new ATOM 0 HH12 ARG A 98 -11.060 3.409 9.431 1.00 2.29 H new ATOM 0 HH21 ARG A 98 -10.686 6.758 10.361 1.00 3.20 H new ATOM 0 HH22 ARG A 98 -11.335 5.177 10.811 1.00 3.20 H new ATOM 1615 N TYR A 99 -4.657 7.560 4.729 1.00 0.21 N ATOM 1616 CA TYR A 99 -3.202 7.838 4.884 1.00 0.22 C ATOM 1617 C TYR A 99 -2.759 8.952 3.934 1.00 0.19 C ATOM 1618 O TYR A 99 -2.066 9.867 4.332 1.00 0.21 O ATOM 1619 CB TYR A 99 -2.389 6.569 4.590 1.00 0.27 C ATOM 1620 CG TYR A 99 -2.950 5.377 5.349 1.00 0.29 C ATOM 1621 CD1 TYR A 99 -3.223 5.467 6.725 1.00 1.32 C ATOM 1622 CD2 TYR A 99 -3.185 4.169 4.674 1.00 1.17 C ATOM 1623 CE1 TYR A 99 -3.728 4.359 7.414 1.00 1.34 C ATOM 1624 CE2 TYR A 99 -3.691 3.061 5.368 1.00 1.18 C ATOM 1625 CZ TYR A 99 -3.961 3.158 6.737 1.00 0.40 C ATOM 1626 OH TYR A 99 -4.458 2.068 7.421 1.00 0.47 O ATOM 0 H TYR A 99 -4.886 6.691 4.247 1.00 0.21 H new ATOM 0 HA TYR A 99 -3.025 8.157 5.911 1.00 0.22 H new ATOM 0 HB2 TYR A 99 -2.403 6.363 3.520 1.00 0.27 H new ATOM 0 HB3 TYR A 99 -1.348 6.726 4.871 1.00 0.27 H new ATOM 0 HD1 TYR A 99 -3.043 6.393 7.251 1.00 1.32 H new ATOM 0 HD2 TYR A 99 -2.975 4.093 3.617 1.00 1.17 H new ATOM 0 HE1 TYR A 99 -3.938 4.431 8.471 1.00 1.34 H new ATOM 0 HE2 TYR A 99 -3.872 2.133 4.846 1.00 1.18 H new ATOM 0 HH TYR A 99 -4.563 1.314 6.803 1.00 0.47 H new ATOM 1636 N VAL A 100 -3.136 8.894 2.687 1.00 0.18 N ATOM 1637 CA VAL A 100 -2.704 9.966 1.747 1.00 0.19 C ATOM 1638 C VAL A 100 -3.231 11.317 2.250 1.00 0.21 C ATOM 1639 O VAL A 100 -2.569 12.331 2.151 1.00 0.22 O ATOM 1640 CB VAL A 100 -3.229 9.642 0.323 1.00 0.19 C ATOM 1641 CG1 VAL A 100 -4.597 10.291 0.068 1.00 0.22 C ATOM 1642 CG2 VAL A 100 -2.234 10.149 -0.728 1.00 0.20 C ATOM 0 H VAL A 100 -3.717 8.160 2.282 1.00 0.18 H new ATOM 0 HA VAL A 100 -1.616 10.020 1.701 1.00 0.19 H new ATOM 0 HB VAL A 100 -3.337 8.560 0.249 1.00 0.19 H new ATOM 0 HG11 VAL A 100 -4.935 10.044 -0.938 1.00 0.22 H new ATOM 0 HG12 VAL A 100 -5.318 9.918 0.795 1.00 0.22 H new ATOM 0 HG13 VAL A 100 -4.510 11.373 0.166 1.00 0.22 H new ATOM 0 HG21 VAL A 100 -2.609 9.918 -1.725 1.00 0.20 H new ATOM 0 HG22 VAL A 100 -2.115 11.228 -0.626 1.00 0.20 H new ATOM 0 HG23 VAL A 100 -1.270 9.662 -0.581 1.00 0.20 H new ATOM 1652 N ASP A 101 -4.420 11.333 2.788 1.00 0.23 N ATOM 1653 CA ASP A 101 -4.993 12.608 3.299 1.00 0.27 C ATOM 1654 C ASP A 101 -4.125 13.133 4.444 1.00 0.26 C ATOM 1655 O ASP A 101 -3.751 14.289 4.473 1.00 0.29 O ATOM 1656 CB ASP A 101 -6.413 12.355 3.811 1.00 0.30 C ATOM 1657 CG ASP A 101 -7.074 13.685 4.176 1.00 0.97 C ATOM 1658 OD1 ASP A 101 -7.102 14.563 3.329 1.00 1.60 O ATOM 1659 OD2 ASP A 101 -7.543 13.804 5.296 1.00 1.79 O ATOM 0 H ASP A 101 -5.020 10.515 2.895 1.00 0.23 H new ATOM 0 HA ASP A 101 -5.020 13.345 2.496 1.00 0.27 H new ATOM 0 HB2 ASP A 101 -6.999 11.844 3.048 1.00 0.30 H new ATOM 0 HB3 ASP A 101 -6.385 11.701 4.682 1.00 0.30 H new ATOM 1664 N THR A 102 -3.811 12.295 5.395 1.00 0.25 N ATOM 1665 CA THR A 102 -2.979 12.744 6.546 1.00 0.26 C ATOM 1666 C THR A 102 -1.642 13.300 6.050 1.00 0.26 C ATOM 1667 O THR A 102 -1.212 14.355 6.462 1.00 0.27 O ATOM 1668 CB THR A 102 -2.717 11.558 7.476 1.00 0.27 C ATOM 1669 OG1 THR A 102 -3.956 11.030 7.928 1.00 0.32 O ATOM 1670 CG2 THR A 102 -1.889 12.021 8.676 1.00 0.29 C ATOM 0 H THR A 102 -4.096 11.316 5.423 1.00 0.25 H new ATOM 0 HA THR A 102 -3.513 13.528 7.083 1.00 0.26 H new ATOM 0 HB THR A 102 -2.169 10.786 6.936 1.00 0.27 H new ATOM 0 HG1 THR A 102 -4.358 10.486 7.219 1.00 0.32 H new ATOM 0 HG21 THR A 102 -1.703 11.175 9.338 1.00 0.29 H new ATOM 0 HG22 THR A 102 -0.938 12.425 8.328 1.00 0.29 H new ATOM 0 HG23 THR A 102 -2.435 12.793 9.218 1.00 0.29 H new ATOM 1678 N LEU A 103 -0.969 12.593 5.187 1.00 0.25 N ATOM 1679 CA LEU A 103 0.348 13.088 4.695 1.00 0.27 C ATOM 1680 C LEU A 103 0.161 14.350 3.847 1.00 0.29 C ATOM 1681 O LEU A 103 0.912 15.298 3.963 1.00 0.31 O ATOM 1682 CB LEU A 103 1.023 12.002 3.845 1.00 0.29 C ATOM 1683 CG LEU A 103 2.535 12.300 3.708 1.00 0.34 C ATOM 1684 CD1 LEU A 103 3.304 11.668 4.874 1.00 0.36 C ATOM 1685 CD2 LEU A 103 3.064 11.718 2.391 1.00 0.41 C ATOM 0 H LEU A 103 -1.271 11.698 4.802 1.00 0.25 H new ATOM 0 HA LEU A 103 0.974 13.327 5.555 1.00 0.27 H new ATOM 0 HB2 LEU A 103 0.877 11.025 4.306 1.00 0.29 H new ATOM 0 HB3 LEU A 103 0.561 11.961 2.858 1.00 0.29 H new ATOM 0 HG LEU A 103 2.679 13.380 3.718 1.00 0.34 H new ATOM 0 HD11 LEU A 103 4.367 11.884 4.768 1.00 0.36 H new ATOM 0 HD12 LEU A 103 2.942 12.081 5.815 1.00 0.36 H new ATOM 0 HD13 LEU A 103 3.150 10.589 4.869 1.00 0.36 H new ATOM 0 HD21 LEU A 103 4.129 11.931 2.301 1.00 0.41 H new ATOM 0 HD22 LEU A 103 2.908 10.639 2.381 1.00 0.41 H new ATOM 0 HD23 LEU A 103 2.531 12.169 1.554 1.00 0.41 H new ATOM 1697 N PHE A 104 -0.808 14.365 2.971 1.00 0.29 N ATOM 1698 CA PHE A 104 -1.003 15.558 2.097 1.00 0.32 C ATOM 1699 C PHE A 104 -1.306 16.808 2.928 1.00 0.37 C ATOM 1700 O PHE A 104 -0.954 17.906 2.545 1.00 0.41 O ATOM 1701 CB PHE A 104 -2.163 15.296 1.134 1.00 0.33 C ATOM 1702 CG PHE A 104 -2.306 16.463 0.186 1.00 0.40 C ATOM 1703 CD1 PHE A 104 -1.528 16.519 -0.977 1.00 1.23 C ATOM 1704 CD2 PHE A 104 -3.217 17.489 0.468 1.00 1.17 C ATOM 1705 CE1 PHE A 104 -1.660 17.600 -1.857 1.00 1.29 C ATOM 1706 CE2 PHE A 104 -3.349 18.570 -0.412 1.00 1.19 C ATOM 1707 CZ PHE A 104 -2.570 18.625 -1.575 1.00 0.60 C ATOM 0 H PHE A 104 -1.472 13.605 2.823 1.00 0.29 H new ATOM 0 HA PHE A 104 -0.082 15.731 1.540 1.00 0.32 H new ATOM 0 HB2 PHE A 104 -1.984 14.379 0.573 1.00 0.33 H new ATOM 0 HB3 PHE A 104 -3.088 15.153 1.693 1.00 0.33 H new ATOM 0 HD1 PHE A 104 -0.826 15.728 -1.195 1.00 1.23 H new ATOM 0 HD2 PHE A 104 -3.818 17.446 1.364 1.00 1.17 H new ATOM 0 HE1 PHE A 104 -1.059 17.643 -2.754 1.00 1.29 H new ATOM 0 HE2 PHE A 104 -4.051 19.361 -0.194 1.00 1.19 H new ATOM 0 HZ PHE A 104 -2.672 19.459 -2.254 1.00 0.60 H new ATOM 1717 N GLU A 105 -1.966 16.675 4.047 1.00 0.42 N ATOM 1718 CA GLU A 105 -2.280 17.894 4.848 1.00 0.52 C ATOM 1719 C GLU A 105 -0.971 18.616 5.208 1.00 0.56 C ATOM 1720 O GLU A 105 -0.898 19.828 5.162 1.00 0.61 O ATOM 1721 CB GLU A 105 -3.092 17.509 6.109 1.00 0.58 C ATOM 1722 CG GLU A 105 -2.167 17.213 7.301 1.00 1.20 C ATOM 1723 CD GLU A 105 -2.943 16.465 8.388 1.00 1.75 C ATOM 1724 OE1 GLU A 105 -4.160 16.434 8.306 1.00 2.47 O ATOM 1725 OE2 GLU A 105 -2.305 15.934 9.282 1.00 2.31 O ATOM 0 H GLU A 105 -2.296 15.792 4.436 1.00 0.42 H new ATOM 0 HA GLU A 105 -2.895 18.577 4.262 1.00 0.52 H new ATOM 0 HB2 GLU A 105 -3.773 18.320 6.367 1.00 0.58 H new ATOM 0 HB3 GLU A 105 -3.705 16.633 5.896 1.00 0.58 H new ATOM 0 HG2 GLU A 105 -1.316 16.616 6.973 1.00 1.20 H new ATOM 0 HG3 GLU A 105 -1.767 18.144 7.703 1.00 1.20 H new ATOM 1838 N GLN A 112 3.920 14.139 -6.712 1.00 0.54 N ATOM 1839 CA GLN A 112 3.662 12.674 -6.777 1.00 0.49 C ATOM 1840 C GLN A 112 2.575 12.313 -5.766 1.00 0.39 C ATOM 1841 O GLN A 112 1.794 11.406 -5.971 1.00 0.37 O ATOM 1842 CB GLN A 112 4.949 11.919 -6.432 1.00 0.54 C ATOM 1843 CG GLN A 112 6.031 12.253 -7.462 1.00 1.05 C ATOM 1844 CD GLN A 112 7.363 11.641 -7.022 1.00 1.82 C ATOM 1845 OE1 GLN A 112 7.849 10.711 -7.635 1.00 2.54 O ATOM 1846 NE2 GLN A 112 7.978 12.126 -5.978 1.00 2.56 N ATOM 0 HA GLN A 112 3.336 12.400 -7.780 1.00 0.49 H new ATOM 0 HB2 GLN A 112 5.287 12.193 -5.433 1.00 0.54 H new ATOM 0 HB3 GLN A 112 4.761 10.845 -6.422 1.00 0.54 H new ATOM 0 HG2 GLN A 112 5.747 11.867 -8.441 1.00 1.05 H new ATOM 0 HG3 GLN A 112 6.131 13.334 -7.562 1.00 1.05 H new ATOM 0 HE21 GLN A 112 7.571 12.907 -5.463 1.00 2.56 H new ATOM 0 HE22 GLN A 112 8.866 11.724 -5.677 1.00 2.56 H new ATOM 1855 N VAL A 113 2.517 13.027 -4.678 1.00 0.37 N ATOM 1856 CA VAL A 113 1.479 12.745 -3.650 1.00 0.32 C ATOM 1857 C VAL A 113 0.142 13.285 -4.153 1.00 0.32 C ATOM 1858 O VAL A 113 -0.860 12.598 -4.154 1.00 0.30 O ATOM 1859 CB VAL A 113 1.855 13.435 -2.336 1.00 0.35 C ATOM 1860 CG1 VAL A 113 0.832 13.077 -1.256 1.00 0.41 C ATOM 1861 CG2 VAL A 113 3.244 12.967 -1.894 1.00 0.40 C ATOM 0 H VAL A 113 3.147 13.798 -4.456 1.00 0.37 H new ATOM 0 HA VAL A 113 1.406 11.672 -3.475 1.00 0.32 H new ATOM 0 HB VAL A 113 1.863 14.515 -2.485 1.00 0.35 H new ATOM 0 HG11 VAL A 113 1.102 13.569 -0.322 1.00 0.41 H new ATOM 0 HG12 VAL A 113 -0.158 13.409 -1.568 1.00 0.41 H new ATOM 0 HG13 VAL A 113 0.822 11.997 -1.108 1.00 0.41 H new ATOM 0 HG21 VAL A 113 3.513 13.458 -0.959 1.00 0.40 H new ATOM 0 HG22 VAL A 113 3.234 11.887 -1.748 1.00 0.40 H new ATOM 0 HG23 VAL A 113 3.975 13.223 -2.661 1.00 0.40 H new ATOM 1871 N GLY A 114 0.127 14.513 -4.594 1.00 0.37 N ATOM 1872 CA GLY A 114 -1.140 15.100 -5.115 1.00 0.40 C ATOM 1873 C GLY A 114 -1.657 14.215 -6.250 1.00 0.38 C ATOM 1874 O GLY A 114 -2.843 14.039 -6.432 1.00 0.38 O ATOM 0 H GLY A 114 0.936 15.134 -4.616 1.00 0.37 H new ATOM 0 HA2 GLY A 114 -1.882 15.166 -4.319 1.00 0.40 H new ATOM 0 HA3 GLY A 114 -0.967 16.114 -5.475 1.00 0.40 H new ATOM 1878 N ALA A 115 -0.767 13.651 -7.011 1.00 0.38 N ATOM 1879 CA ALA A 115 -1.190 12.763 -8.129 1.00 0.38 C ATOM 1880 C ALA A 115 -1.577 11.390 -7.564 1.00 0.33 C ATOM 1881 O ALA A 115 -2.541 10.779 -7.996 1.00 0.34 O ATOM 1882 CB ALA A 115 -0.036 12.619 -9.122 1.00 0.43 C ATOM 0 H ALA A 115 0.241 13.766 -6.908 1.00 0.38 H new ATOM 0 HA ALA A 115 -2.050 13.192 -8.643 1.00 0.38 H new ATOM 0 HB1 ALA A 115 -0.341 11.970 -9.943 1.00 0.43 H new ATOM 0 HB2 ALA A 115 0.230 13.600 -9.515 1.00 0.43 H new ATOM 0 HB3 ALA A 115 0.827 12.185 -8.617 1.00 0.43 H new ATOM 1888 N LEU A 116 -0.851 10.899 -6.601 1.00 0.31 N ATOM 1889 CA LEU A 116 -1.204 9.571 -6.028 1.00 0.29 C ATOM 1890 C LEU A 116 -2.615 9.637 -5.437 1.00 0.26 C ATOM 1891 O LEU A 116 -3.439 8.779 -5.685 1.00 0.25 O ATOM 1892 CB LEU A 116 -0.193 9.201 -4.934 1.00 0.32 C ATOM 1893 CG LEU A 116 -0.551 7.843 -4.306 1.00 0.27 C ATOM 1894 CD1 LEU A 116 -0.524 6.737 -5.373 1.00 0.49 C ATOM 1895 CD2 LEU A 116 0.469 7.521 -3.208 1.00 0.68 C ATOM 0 H LEU A 116 -0.036 11.354 -6.189 1.00 0.31 H new ATOM 0 HA LEU A 116 -1.176 8.811 -6.809 1.00 0.29 H new ATOM 0 HB2 LEU A 116 0.811 9.159 -5.357 1.00 0.32 H new ATOM 0 HB3 LEU A 116 -0.182 9.973 -4.164 1.00 0.32 H new ATOM 0 HG LEU A 116 -1.554 7.894 -3.883 1.00 0.27 H new ATOM 0 HD11 LEU A 116 -0.779 5.782 -4.914 1.00 0.49 H new ATOM 0 HD12 LEU A 116 -1.247 6.968 -6.155 1.00 0.49 H new ATOM 0 HD13 LEU A 116 0.474 6.675 -5.808 1.00 0.49 H new ATOM 0 HD21 LEU A 116 0.225 6.560 -2.755 1.00 0.68 H new ATOM 0 HD22 LEU A 116 1.468 7.475 -3.642 1.00 0.68 H new ATOM 0 HD23 LEU A 116 0.440 8.299 -2.445 1.00 0.68 H new ATOM 1907 N LYS A 117 -2.903 10.639 -4.649 1.00 0.27 N ATOM 1908 CA LYS A 117 -4.262 10.730 -4.046 1.00 0.28 C ATOM 1909 C LYS A 117 -5.307 10.860 -5.160 1.00 0.28 C ATOM 1910 O LYS A 117 -6.438 10.442 -5.010 1.00 0.29 O ATOM 1911 CB LYS A 117 -4.329 11.926 -3.069 1.00 0.33 C ATOM 1912 CG LYS A 117 -4.560 13.268 -3.811 1.00 0.78 C ATOM 1913 CD LYS A 117 -6.046 13.657 -3.772 1.00 0.86 C ATOM 1914 CE LYS A 117 -6.248 14.982 -4.508 1.00 1.44 C ATOM 1915 NZ LYS A 117 -5.873 14.817 -5.941 1.00 2.16 N ATOM 0 H LYS A 117 -2.261 11.392 -4.399 1.00 0.27 H new ATOM 0 HA LYS A 117 -4.475 9.824 -3.479 1.00 0.28 H new ATOM 0 HB2 LYS A 117 -5.134 11.764 -2.352 1.00 0.33 H new ATOM 0 HB3 LYS A 117 -3.401 11.981 -2.499 1.00 0.33 H new ATOM 0 HG2 LYS A 117 -3.961 14.053 -3.350 1.00 0.78 H new ATOM 0 HG3 LYS A 117 -4.228 13.180 -4.846 1.00 0.78 H new ATOM 0 HD2 LYS A 117 -6.649 12.876 -4.235 1.00 0.86 H new ATOM 0 HD3 LYS A 117 -6.382 13.748 -2.739 1.00 0.86 H new ATOM 0 HE2 LYS A 117 -7.287 15.300 -4.427 1.00 1.44 H new ATOM 0 HE3 LYS A 117 -5.640 15.761 -4.049 1.00 1.44 H new ATOM 0 HZ1 LYS A 117 -6.167 15.659 -6.476 1.00 2.16 H new ATOM 0 HZ2 LYS A 117 -4.843 14.700 -6.019 1.00 2.16 H new ATOM 0 HZ3 LYS A 117 -6.347 13.977 -6.329 1.00 2.16 H new ATOM 1929 N SER A 118 -4.943 11.440 -6.276 1.00 0.29 N ATOM 1930 CA SER A 118 -5.923 11.594 -7.387 1.00 0.31 C ATOM 1931 C SER A 118 -6.365 10.217 -7.886 1.00 0.29 C ATOM 1932 O SER A 118 -7.464 10.056 -8.377 1.00 0.30 O ATOM 1933 CB SER A 118 -5.277 12.367 -8.536 1.00 0.34 C ATOM 1934 OG SER A 118 -6.276 12.718 -9.486 1.00 1.35 O ATOM 0 H SER A 118 -4.012 11.812 -6.463 1.00 0.29 H new ATOM 0 HA SER A 118 -6.793 12.141 -7.022 1.00 0.31 H new ATOM 0 HB2 SER A 118 -4.788 13.264 -8.157 1.00 0.34 H new ATOM 0 HB3 SER A 118 -4.506 11.760 -9.010 1.00 0.34 H new ATOM 0 HG SER A 118 -5.865 13.215 -10.224 1.00 1.35 H new ATOM 1940 N MET A 119 -5.535 9.215 -7.754 1.00 0.26 N ATOM 1941 CA MET A 119 -5.935 7.849 -8.212 1.00 0.25 C ATOM 1942 C MET A 119 -6.921 7.269 -7.192 1.00 0.23 C ATOM 1943 O MET A 119 -7.947 6.714 -7.529 1.00 0.24 O ATOM 1944 CB MET A 119 -4.692 6.947 -8.279 1.00 0.26 C ATOM 1945 CG MET A 119 -3.537 7.664 -8.993 1.00 0.61 C ATOM 1946 SD MET A 119 -3.782 7.562 -10.786 1.00 1.03 S ATOM 1947 CE MET A 119 -2.373 6.491 -11.158 1.00 0.69 C ATOM 0 H MET A 119 -4.601 9.282 -7.351 1.00 0.26 H new ATOM 0 HA MET A 119 -6.395 7.904 -9.199 1.00 0.25 H new ATOM 0 HB2 MET A 119 -4.385 6.667 -7.271 1.00 0.26 H new ATOM 0 HB3 MET A 119 -4.935 6.024 -8.806 1.00 0.26 H new ATOM 0 HG2 MET A 119 -3.493 8.707 -8.680 1.00 0.61 H new ATOM 0 HG3 MET A 119 -2.586 7.208 -8.718 1.00 0.61 H new ATOM 0 HE1 MET A 119 -2.336 6.298 -12.230 1.00 0.69 H new ATOM 0 HE2 MET A 119 -1.451 6.981 -10.845 1.00 0.69 H new ATOM 0 HE3 MET A 119 -2.482 5.548 -10.623 1.00 0.69 H new ATOM 1957 N VAL A 120 -6.600 7.434 -5.944 1.00 0.21 N ATOM 1958 CA VAL A 120 -7.460 6.959 -4.827 1.00 0.20 C ATOM 1959 C VAL A 120 -8.755 7.767 -4.779 1.00 0.22 C ATOM 1960 O VAL A 120 -9.832 7.216 -4.673 1.00 0.22 O ATOM 1961 CB VAL A 120 -6.690 7.190 -3.524 1.00 0.20 C ATOM 1962 CG1 VAL A 120 -7.397 6.469 -2.372 1.00 0.20 C ATOM 1963 CG2 VAL A 120 -5.272 6.629 -3.682 1.00 0.23 C ATOM 0 H VAL A 120 -5.743 7.897 -5.640 1.00 0.21 H new ATOM 0 HA VAL A 120 -7.706 5.906 -4.966 1.00 0.20 H new ATOM 0 HB VAL A 120 -6.647 8.257 -3.306 1.00 0.20 H new ATOM 0 HG11 VAL A 120 -6.846 6.635 -1.446 1.00 0.20 H new ATOM 0 HG12 VAL A 120 -8.410 6.858 -2.267 1.00 0.20 H new ATOM 0 HG13 VAL A 120 -7.438 5.400 -2.582 1.00 0.20 H new ATOM 0 HG21 VAL A 120 -4.713 6.788 -2.760 1.00 0.23 H new ATOM 0 HG22 VAL A 120 -5.325 5.561 -3.895 1.00 0.23 H new ATOM 0 HG23 VAL A 120 -4.769 7.139 -4.504 1.00 0.23 H new ATOM 1973 N GLU A 121 -8.666 9.061 -4.844 1.00 0.25 N ATOM 1974 CA GLU A 121 -9.900 9.891 -4.785 1.00 0.29 C ATOM 1975 C GLU A 121 -10.742 9.679 -6.046 1.00 0.28 C ATOM 1976 O GLU A 121 -11.955 9.727 -6.005 1.00 0.31 O ATOM 1977 CB GLU A 121 -9.508 11.365 -4.671 1.00 0.35 C ATOM 1978 CG GLU A 121 -10.764 12.229 -4.716 1.00 1.07 C ATOM 1979 CD GLU A 121 -10.427 13.653 -4.267 1.00 1.63 C ATOM 1980 OE1 GLU A 121 -10.437 13.896 -3.071 1.00 2.27 O ATOM 1981 OE2 GLU A 121 -10.165 14.478 -5.127 1.00 2.20 O ATOM 0 H GLU A 121 -7.794 9.582 -4.935 1.00 0.25 H new ATOM 0 HA GLU A 121 -10.489 9.596 -3.917 1.00 0.29 H new ATOM 0 HB2 GLU A 121 -8.968 11.538 -3.740 1.00 0.35 H new ATOM 0 HB3 GLU A 121 -8.836 11.638 -5.485 1.00 0.35 H new ATOM 0 HG2 GLU A 121 -11.171 12.243 -5.727 1.00 1.07 H new ATOM 0 HG3 GLU A 121 -11.532 11.805 -4.069 1.00 1.07 H new ATOM 1988 N ASP A 122 -10.116 9.446 -7.165 1.00 0.28 N ATOM 1989 CA ASP A 122 -10.897 9.235 -8.414 1.00 0.30 C ATOM 1990 C ASP A 122 -11.594 7.875 -8.359 1.00 0.28 C ATOM 1991 O ASP A 122 -12.734 7.733 -8.768 1.00 0.31 O ATOM 1992 CB ASP A 122 -9.959 9.275 -9.622 1.00 0.34 C ATOM 1993 CG ASP A 122 -9.519 10.718 -9.882 1.00 1.16 C ATOM 1994 OD1 ASP A 122 -9.430 11.470 -8.926 1.00 1.89 O ATOM 1995 OD2 ASP A 122 -9.280 11.045 -11.032 1.00 1.92 O ATOM 0 H ASP A 122 -9.103 9.393 -7.269 1.00 0.28 H new ATOM 0 HA ASP A 122 -11.643 10.024 -8.508 1.00 0.30 H new ATOM 0 HB2 ASP A 122 -9.088 8.646 -9.440 1.00 0.34 H new ATOM 0 HB3 ASP A 122 -10.464 8.874 -10.501 1.00 0.34 H new ATOM 2000 N LYS A 123 -10.932 6.869 -7.854 1.00 0.27 N ATOM 2001 CA LYS A 123 -11.567 5.530 -7.785 1.00 0.27 C ATOM 2002 C LYS A 123 -12.644 5.526 -6.695 1.00 0.26 C ATOM 2003 O LYS A 123 -13.666 4.880 -6.834 1.00 0.28 O ATOM 2004 CB LYS A 123 -10.472 4.474 -7.469 1.00 0.27 C ATOM 2005 CG LYS A 123 -10.542 3.293 -8.451 1.00 0.93 C ATOM 2006 CD LYS A 123 -11.800 2.467 -8.174 1.00 1.10 C ATOM 2007 CE LYS A 123 -11.924 1.363 -9.226 1.00 1.43 C ATOM 2008 NZ LYS A 123 -12.123 1.978 -10.569 1.00 1.95 N ATOM 0 H LYS A 123 -9.981 6.920 -7.488 1.00 0.27 H new ATOM 0 HA LYS A 123 -12.039 5.288 -8.737 1.00 0.27 H new ATOM 0 HB2 LYS A 123 -9.488 4.939 -7.524 1.00 0.27 H new ATOM 0 HB3 LYS A 123 -10.596 4.111 -6.449 1.00 0.27 H new ATOM 0 HG2 LYS A 123 -10.555 3.661 -9.477 1.00 0.93 H new ATOM 0 HG3 LYS A 123 -9.655 2.668 -8.348 1.00 0.93 H new ATOM 0 HD2 LYS A 123 -11.749 2.030 -7.177 1.00 1.10 H new ATOM 0 HD3 LYS A 123 -12.682 3.108 -8.197 1.00 1.10 H new ATOM 0 HE2 LYS A 123 -11.027 0.744 -9.227 1.00 1.43 H new ATOM 0 HE3 LYS A 123 -12.762 0.709 -8.986 1.00 1.43 H new ATOM 0 HZ1 LYS A 123 -12.599 1.298 -11.195 1.00 1.95 H new ATOM 0 HZ2 LYS A 123 -12.709 2.832 -10.476 1.00 1.95 H new ATOM 0 HZ3 LYS A 123 -11.200 2.234 -10.974 1.00 1.95 H new ATOM 2022 N ILE A 124 -12.440 6.227 -5.601 1.00 0.27 N ATOM 2023 CA ILE A 124 -13.485 6.206 -4.536 1.00 0.29 C ATOM 2024 C ILE A 124 -14.632 7.117 -4.980 1.00 0.35 C ATOM 2025 O ILE A 124 -15.757 6.983 -4.548 1.00 0.43 O ATOM 2026 CB ILE A 124 -12.896 6.663 -3.197 1.00 0.29 C ATOM 2027 CG1 ILE A 124 -11.892 5.624 -2.685 1.00 0.27 C ATOM 2028 CG2 ILE A 124 -14.015 6.843 -2.175 1.00 0.34 C ATOM 2029 CD1 ILE A 124 -11.102 6.205 -1.506 1.00 0.30 C ATOM 0 H ILE A 124 -11.617 6.797 -5.406 1.00 0.27 H new ATOM 0 HA ILE A 124 -13.859 5.193 -4.391 1.00 0.29 H new ATOM 0 HB ILE A 124 -12.383 7.614 -3.341 1.00 0.29 H new ATOM 0 HG12 ILE A 124 -12.416 4.720 -2.374 1.00 0.27 H new ATOM 0 HG13 ILE A 124 -11.210 5.337 -3.486 1.00 0.27 H new ATOM 0 HG21 ILE A 124 -13.591 7.168 -1.225 1.00 0.34 H new ATOM 0 HG22 ILE A 124 -14.719 7.594 -2.534 1.00 0.34 H new ATOM 0 HG23 ILE A 124 -14.536 5.896 -2.035 1.00 0.34 H new ATOM 0 HD11 ILE A 124 -10.389 5.463 -1.145 1.00 0.30 H new ATOM 0 HD12 ILE A 124 -10.565 7.096 -1.832 1.00 0.30 H new ATOM 0 HD13 ILE A 124 -11.789 6.469 -0.702 1.00 0.30 H new ATOM 2041 N GLN A 125 -14.350 8.048 -5.849 1.00 0.35 N ATOM 2042 CA GLN A 125 -15.436 8.953 -6.318 1.00 0.40 C ATOM 2043 C GLN A 125 -16.456 8.105 -7.089 1.00 0.43 C ATOM 2044 O GLN A 125 -17.644 8.353 -7.044 1.00 0.54 O ATOM 2045 CB GLN A 125 -14.861 10.064 -7.215 1.00 0.53 C ATOM 2046 CG GLN A 125 -14.492 11.286 -6.369 1.00 1.22 C ATOM 2047 CD GLN A 125 -15.761 12.062 -6.009 1.00 1.81 C ATOM 2048 OE1 GLN A 125 -16.696 12.113 -6.785 1.00 2.27 O ATOM 2049 NE2 GLN A 125 -15.835 12.672 -4.859 1.00 2.64 N ATOM 0 H GLN A 125 -13.428 8.220 -6.250 1.00 0.35 H new ATOM 0 HA GLN A 125 -15.919 9.437 -5.469 1.00 0.40 H new ATOM 0 HB2 GLN A 125 -13.980 9.697 -7.742 1.00 0.53 H new ATOM 0 HB3 GLN A 125 -15.592 10.344 -7.973 1.00 0.53 H new ATOM 0 HG2 GLN A 125 -13.976 10.971 -5.462 1.00 1.22 H new ATOM 0 HG3 GLN A 125 -13.805 11.928 -6.920 1.00 1.22 H new ATOM 0 HE21 GLN A 125 -15.051 12.630 -4.208 1.00 2.64 H new ATOM 0 HE22 GLN A 125 -16.677 13.192 -4.611 1.00 2.64 H new