USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 621 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 56 THR OG1 : rot -110:sc= -2.04! USER MOD Set 1.2: A 77 LYS NZ :NH3+ -110:sc= 0.323 (180deg=-2.36!) USER MOD Set 2.1: A 36 LYS NZ :NH3+ -143:sc= 0.925 (180deg=-1.13) USER MOD Set 2.2: A 55 ASN : amide:sc= 0.143 K(o=1.1,f=-6.5!) USER MOD Single : A 14 SER OG : rot 180:sc= -1.42! USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot -159:sc= -3.81! USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 0:sc= -1.18! USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.009 USER MOD Single : A 31 HIS : no HD1:sc= -3.88! C(o=-3.9!,f=-4.9!) USER MOD Single : A 33 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.329) USER MOD Single : A 35 THR OG1 : rot -165:sc= -5.21! USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0288 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.402) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS :FLIP no HE2:sc= -0.349 F(o=-1.6,f=-0.35) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= -8.46! C(o=-8.5!,f=-18!) USER MOD Single : A 87 GLN : amide:sc= -14.8! C(o=-15!,f=-22!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 99 N VAL A 7 -2.075 -10.229 4.589 1.00 0.00 N ATOM 100 CA VAL A 7 -2.225 -9.731 3.193 1.00 0.00 C ATOM 101 C VAL A 7 -3.014 -8.412 3.162 1.00 0.00 C ATOM 102 O VAL A 7 -2.539 -7.390 3.608 1.00 0.00 O ATOM 103 CB VAL A 7 -2.962 -10.846 2.447 1.00 0.00 C ATOM 104 CG1 VAL A 7 -3.124 -10.462 0.982 1.00 0.00 C ATOM 105 CG2 VAL A 7 -2.155 -12.144 2.513 1.00 0.00 C ATOM 0 HA VAL A 7 -1.263 -9.511 2.731 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.937 -10.989 2.913 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.649 -11.258 0.453 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -3.698 -9.538 0.909 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.141 -10.315 0.534 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.688 -12.931 1.979 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.179 -11.990 2.052 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.022 -12.437 3.554 1.00 0.00 H new ATOM 115 N ILE A 8 -4.207 -8.412 2.628 1.00 0.00 N ATOM 116 CA ILE A 8 -4.986 -7.144 2.559 1.00 0.00 C ATOM 117 C ILE A 8 -5.678 -6.852 3.891 1.00 0.00 C ATOM 118 O ILE A 8 -6.657 -7.479 4.243 1.00 0.00 O ATOM 119 CB ILE A 8 -6.020 -7.381 1.461 1.00 0.00 C ATOM 120 CG1 ILE A 8 -5.344 -7.954 0.214 1.00 0.00 C ATOM 121 CG2 ILE A 8 -6.675 -6.051 1.091 1.00 0.00 C ATOM 122 CD1 ILE A 8 -6.372 -8.743 -0.594 1.00 0.00 C ATOM 0 H ILE A 8 -4.673 -9.232 2.239 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.347 -6.286 2.350 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.767 -8.085 1.827 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.928 -7.149 -0.391 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -4.514 -8.600 0.500 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.414 -6.215 0.307 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.165 -5.630 1.969 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -5.914 -5.358 0.733 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.897 -9.154 -1.485 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.767 -9.556 0.015 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -7.187 -8.082 -0.890 1.00 0.00 H new ATOM 134 N LEU A 9 -5.180 -5.896 4.628 1.00 0.00 N ATOM 135 CA LEU A 9 -5.809 -5.554 5.936 1.00 0.00 C ATOM 136 C LEU A 9 -6.987 -4.591 5.723 1.00 0.00 C ATOM 137 O LEU A 9 -8.044 -4.987 5.274 1.00 0.00 O ATOM 138 CB LEU A 9 -4.694 -4.892 6.747 1.00 0.00 C ATOM 139 CG LEU A 9 -3.811 -5.970 7.377 1.00 0.00 C ATOM 140 CD1 LEU A 9 -2.378 -5.823 6.860 1.00 0.00 C ATOM 141 CD2 LEU A 9 -3.821 -5.810 8.899 1.00 0.00 C ATOM 0 H LEU A 9 -4.364 -5.337 4.380 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.213 -6.428 6.447 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.096 -4.247 6.103 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -5.122 -4.258 7.524 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.194 -6.955 7.111 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.749 -6.591 7.309 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.369 -5.935 5.776 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.994 -4.838 7.127 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.192 -6.578 9.350 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.437 -4.825 9.164 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.841 -5.913 9.269 1.00 0.00 H new ATOM 153 N ALA A 10 -6.821 -3.334 6.043 1.00 0.00 N ATOM 154 CA ALA A 10 -7.940 -2.364 5.855 1.00 0.00 C ATOM 155 C ALA A 10 -7.636 -1.417 4.691 1.00 0.00 C ATOM 156 O ALA A 10 -6.491 -1.134 4.402 1.00 0.00 O ATOM 157 CB ALA A 10 -8.015 -1.590 7.171 1.00 0.00 C ATOM 0 H ALA A 10 -5.962 -2.938 6.425 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.881 -2.861 5.618 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -8.816 -0.853 7.115 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.215 -2.282 7.989 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.067 -1.082 7.349 1.00 0.00 H new ATOM 163 N PRO A 11 -8.684 -0.952 4.066 1.00 0.00 N ATOM 164 CA PRO A 11 -8.538 -0.018 2.924 1.00 0.00 C ATOM 165 C PRO A 11 -8.146 1.375 3.428 1.00 0.00 C ATOM 166 O PRO A 11 -8.070 1.614 4.617 1.00 0.00 O ATOM 167 CB PRO A 11 -9.929 0.003 2.298 1.00 0.00 C ATOM 168 CG PRO A 11 -10.860 -0.375 3.407 1.00 0.00 C ATOM 169 CD PRO A 11 -10.089 -1.253 4.360 1.00 0.00 C ATOM 0 HA PRO A 11 -7.764 -0.318 2.217 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.168 0.990 1.901 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -9.999 -0.700 1.468 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -11.230 0.514 3.918 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -11.729 -0.903 3.016 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -10.336 -1.028 5.398 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -10.313 -2.308 4.200 1.00 0.00 H new ATOM 177 N VAL A 12 -7.894 2.295 2.537 1.00 0.00 N ATOM 178 CA VAL A 12 -7.507 3.668 2.977 1.00 0.00 C ATOM 179 C VAL A 12 -8.576 4.683 2.561 1.00 0.00 C ATOM 180 O VAL A 12 -9.071 4.657 1.452 1.00 0.00 O ATOM 181 CB VAL A 12 -6.183 3.967 2.265 1.00 0.00 C ATOM 182 CG1 VAL A 12 -5.285 2.729 2.299 1.00 0.00 C ATOM 183 CG2 VAL A 12 -6.460 4.357 0.809 1.00 0.00 C ATOM 0 H VAL A 12 -7.939 2.157 1.527 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.409 3.733 4.061 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.681 4.790 2.773 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.345 2.947 1.792 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -5.083 2.454 3.334 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.786 1.902 1.795 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.518 4.569 0.304 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.966 3.535 0.302 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.093 5.244 0.784 1.00 0.00 H new ATOM 193 N LEU A 13 -8.929 5.581 3.436 1.00 0.00 N ATOM 194 CA LEU A 13 -9.956 6.598 3.077 1.00 0.00 C ATOM 195 C LEU A 13 -9.285 7.940 2.768 1.00 0.00 C ATOM 196 O LEU A 13 -8.801 8.621 3.650 1.00 0.00 O ATOM 197 CB LEU A 13 -10.849 6.718 4.307 1.00 0.00 C ATOM 198 CG LEU A 13 -11.707 5.459 4.448 1.00 0.00 C ATOM 199 CD1 LEU A 13 -12.353 5.124 3.102 1.00 0.00 C ATOM 200 CD2 LEU A 13 -10.828 4.290 4.894 1.00 0.00 C ATOM 0 H LEU A 13 -8.553 5.655 4.381 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.524 6.313 2.191 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -10.238 6.855 5.199 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -11.488 7.597 4.220 1.00 0.00 H new ATOM 0 HG LEU A 13 -12.486 5.634 5.190 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -12.964 4.227 3.205 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -12.981 5.956 2.783 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -11.575 4.950 2.358 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -11.439 3.393 4.995 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -10.049 4.117 4.152 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -10.369 4.526 5.854 1.00 0.00 H new ATOM 212 N SER A 14 -9.253 8.326 1.522 1.00 0.00 N ATOM 213 CA SER A 14 -8.616 9.624 1.159 1.00 0.00 C ATOM 214 C SER A 14 -9.056 10.055 -0.241 1.00 0.00 C ATOM 215 O SER A 14 -9.139 9.253 -1.150 1.00 0.00 O ATOM 216 CB SER A 14 -7.112 9.351 1.189 1.00 0.00 C ATOM 217 OG SER A 14 -6.863 8.163 1.930 1.00 0.00 O ATOM 0 H SER A 14 -9.640 7.799 0.739 1.00 0.00 H new ATOM 0 HA SER A 14 -8.897 10.427 1.841 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.730 9.246 0.174 1.00 0.00 H new ATOM 0 HB3 SER A 14 -6.587 10.192 1.642 1.00 0.00 H new ATOM 0 HG SER A 14 -5.899 7.985 1.949 1.00 0.00 H new ATOM 223 N GLU A 15 -9.338 11.316 -0.425 1.00 0.00 N ATOM 224 CA GLU A 15 -9.770 11.793 -1.769 1.00 0.00 C ATOM 225 C GLU A 15 -8.898 11.163 -2.857 1.00 0.00 C ATOM 226 O GLU A 15 -9.391 10.604 -3.816 1.00 0.00 O ATOM 227 CB GLU A 15 -9.574 13.310 -1.735 1.00 0.00 C ATOM 228 CG GLU A 15 -10.883 13.986 -1.321 1.00 0.00 C ATOM 229 CD GLU A 15 -11.304 14.988 -2.398 1.00 0.00 C ATOM 230 OE1 GLU A 15 -10.433 15.473 -3.101 1.00 0.00 O ATOM 231 OE2 GLU A 15 -12.491 15.252 -2.502 1.00 0.00 O ATOM 0 H GLU A 15 -9.288 12.035 0.296 1.00 0.00 H new ATOM 0 HA GLU A 15 -10.802 11.522 -1.992 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -8.781 13.569 -1.033 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -9.262 13.669 -2.716 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -11.663 13.237 -1.181 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.755 14.495 -0.366 1.00 0.00 H new ATOM 238 N LYS A 16 -7.603 11.249 -2.714 1.00 0.00 N ATOM 239 CA LYS A 16 -6.700 10.657 -3.738 1.00 0.00 C ATOM 240 C LYS A 16 -7.033 9.177 -3.948 1.00 0.00 C ATOM 241 O LYS A 16 -6.662 8.582 -4.941 1.00 0.00 O ATOM 242 CB LYS A 16 -5.291 10.814 -3.161 1.00 0.00 C ATOM 243 CG LYS A 16 -4.710 12.162 -3.593 1.00 0.00 C ATOM 244 CD LYS A 16 -3.721 11.948 -4.741 1.00 0.00 C ATOM 245 CE LYS A 16 -4.484 11.548 -6.006 1.00 0.00 C ATOM 246 NZ LYS A 16 -3.650 12.053 -7.133 1.00 0.00 N ATOM 0 H LYS A 16 -7.133 11.704 -1.932 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.801 11.144 -4.708 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.323 10.752 -2.073 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.652 10.002 -3.508 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.511 12.831 -3.909 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.209 12.640 -2.752 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.153 12.861 -4.920 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.003 11.172 -4.476 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.614 10.467 -6.064 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.480 11.990 -6.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.108 11.817 -8.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.549 13.085 -7.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.710 11.610 -7.095 1.00 0.00 H new ATOM 260 N ALA A 17 -7.729 8.578 -3.021 1.00 0.00 N ATOM 261 CA ALA A 17 -8.087 7.138 -3.170 1.00 0.00 C ATOM 262 C ALA A 17 -9.557 7.003 -3.573 1.00 0.00 C ATOM 263 O ALA A 17 -9.903 6.221 -4.437 1.00 0.00 O ATOM 264 CB ALA A 17 -7.849 6.525 -1.790 1.00 0.00 C ATOM 0 H ALA A 17 -8.065 9.023 -2.167 1.00 0.00 H new ATOM 0 HA ALA A 17 -7.498 6.641 -3.941 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.091 5.463 -1.817 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.803 6.652 -1.511 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -8.483 7.023 -1.056 1.00 0.00 H new ATOM 270 N TYR A 18 -10.425 7.758 -2.957 1.00 0.00 N ATOM 271 CA TYR A 18 -11.869 7.671 -3.311 1.00 0.00 C ATOM 272 C TYR A 18 -12.072 8.087 -4.769 1.00 0.00 C ATOM 273 O TYR A 18 -12.846 7.491 -5.491 1.00 0.00 O ATOM 274 CB TYR A 18 -12.575 8.639 -2.363 1.00 0.00 C ATOM 275 CG TYR A 18 -13.175 7.861 -1.217 1.00 0.00 C ATOM 276 CD1 TYR A 18 -13.857 6.665 -1.468 1.00 0.00 C ATOM 277 CD2 TYR A 18 -13.045 8.332 0.095 1.00 0.00 C ATOM 278 CE1 TYR A 18 -14.413 5.940 -0.407 1.00 0.00 C ATOM 279 CE2 TYR A 18 -13.601 7.606 1.157 1.00 0.00 C ATOM 280 CZ TYR A 18 -14.284 6.411 0.906 1.00 0.00 C ATOM 281 OH TYR A 18 -14.831 5.696 1.951 1.00 0.00 O ATOM 0 H TYR A 18 -10.197 8.430 -2.225 1.00 0.00 H new ATOM 0 HA TYR A 18 -12.262 6.659 -3.211 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -11.868 9.378 -1.986 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -13.354 9.185 -2.895 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -13.954 6.301 -2.480 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -12.517 9.254 0.288 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -14.941 5.018 -0.601 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -13.502 7.969 2.169 1.00 0.00 H new ATOM 0 HH TYR A 18 -14.954 6.287 2.723 1.00 0.00 H new ATOM 291 N ALA A 19 -11.370 9.094 -5.214 1.00 0.00 N ATOM 292 CA ALA A 19 -11.517 9.525 -6.633 1.00 0.00 C ATOM 293 C ALA A 19 -11.049 8.392 -7.550 1.00 0.00 C ATOM 294 O ALA A 19 -11.313 8.381 -8.735 1.00 0.00 O ATOM 295 CB ALA A 19 -10.615 10.751 -6.778 1.00 0.00 C ATOM 0 H ALA A 19 -10.705 9.634 -4.660 1.00 0.00 H new ATOM 0 HA ALA A 19 -12.547 9.761 -6.901 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -10.671 11.125 -7.800 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -10.944 11.528 -6.088 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -9.586 10.475 -6.549 1.00 0.00 H new ATOM 301 N GLY A 20 -10.378 7.422 -6.989 1.00 0.00 N ATOM 302 CA GLY A 20 -9.909 6.259 -7.790 1.00 0.00 C ATOM 303 C GLY A 20 -10.808 5.083 -7.440 1.00 0.00 C ATOM 304 O GLY A 20 -11.337 4.405 -8.298 1.00 0.00 O ATOM 0 H GLY A 20 -10.133 7.387 -5.999 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -9.961 6.480 -8.856 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.868 6.029 -7.562 1.00 0.00 H new ATOM 308 N PHE A 21 -11.016 4.865 -6.169 1.00 0.00 N ATOM 309 CA PHE A 21 -11.918 3.767 -5.737 1.00 0.00 C ATOM 310 C PHE A 21 -13.238 3.910 -6.492 1.00 0.00 C ATOM 311 O PHE A 21 -13.980 2.964 -6.669 1.00 0.00 O ATOM 312 CB PHE A 21 -12.129 4.017 -4.244 1.00 0.00 C ATOM 313 CG PHE A 21 -12.051 2.720 -3.477 1.00 0.00 C ATOM 314 CD1 PHE A 21 -13.088 1.785 -3.574 1.00 0.00 C ATOM 315 CD2 PHE A 21 -10.946 2.460 -2.659 1.00 0.00 C ATOM 316 CE1 PHE A 21 -13.019 0.588 -2.851 1.00 0.00 C ATOM 317 CE2 PHE A 21 -10.878 1.265 -1.935 1.00 0.00 C ATOM 318 CZ PHE A 21 -11.914 0.329 -2.031 1.00 0.00 C ATOM 0 H PHE A 21 -10.597 5.404 -5.411 1.00 0.00 H new ATOM 0 HA PHE A 21 -11.523 2.770 -5.929 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -11.374 4.711 -3.875 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -13.100 4.485 -4.081 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -13.940 1.987 -4.206 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -10.146 3.182 -2.587 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -13.818 -0.135 -2.926 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -10.026 1.065 -1.302 1.00 0.00 H new ATOM 0 HZ PHE A 21 -11.861 -0.594 -1.472 1.00 0.00 H new ATOM 328 N ALA A 22 -13.527 5.106 -6.928 1.00 0.00 N ATOM 329 CA ALA A 22 -14.788 5.358 -7.667 1.00 0.00 C ATOM 330 C ALA A 22 -14.885 4.450 -8.896 1.00 0.00 C ATOM 331 O ALA A 22 -15.961 4.085 -9.327 1.00 0.00 O ATOM 332 CB ALA A 22 -14.708 6.825 -8.091 1.00 0.00 C ATOM 0 H ALA A 22 -12.934 5.926 -6.800 1.00 0.00 H new ATOM 0 HA ALA A 22 -15.668 5.152 -7.057 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -15.607 7.093 -8.646 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -14.627 7.456 -7.206 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -13.833 6.974 -8.724 1.00 0.00 H new ATOM 338 N GLU A 23 -13.768 4.088 -9.467 1.00 0.00 N ATOM 339 CA GLU A 23 -13.796 3.211 -10.675 1.00 0.00 C ATOM 340 C GLU A 23 -13.784 1.736 -10.267 1.00 0.00 C ATOM 341 O GLU A 23 -13.518 0.864 -11.069 1.00 0.00 O ATOM 342 CB GLU A 23 -12.521 3.561 -11.445 1.00 0.00 C ATOM 343 CG GLU A 23 -12.799 3.499 -12.947 1.00 0.00 C ATOM 344 CD GLU A 23 -12.514 4.863 -13.577 1.00 0.00 C ATOM 345 OE1 GLU A 23 -11.369 5.284 -13.536 1.00 0.00 O ATOM 346 OE2 GLU A 23 -13.444 5.463 -14.088 1.00 0.00 O ATOM 0 H GLU A 23 -12.838 4.361 -9.150 1.00 0.00 H new ATOM 0 HA GLU A 23 -14.694 3.365 -11.273 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -12.179 4.558 -11.169 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -11.723 2.866 -11.183 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -12.176 2.735 -13.411 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -13.836 3.215 -13.124 1.00 0.00 H new ATOM 353 N GLY A 24 -14.077 1.448 -9.029 1.00 0.00 N ATOM 354 CA GLY A 24 -14.089 0.037 -8.577 1.00 0.00 C ATOM 355 C GLY A 24 -12.687 -0.378 -8.125 1.00 0.00 C ATOM 356 O GLY A 24 -12.407 -1.545 -7.934 1.00 0.00 O ATOM 0 H GLY A 24 -14.309 2.135 -8.312 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -14.796 -0.085 -7.756 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -14.426 -0.610 -9.387 1.00 0.00 H new ATOM 360 N LYS A 25 -11.806 0.566 -7.944 1.00 0.00 N ATOM 361 CA LYS A 25 -10.424 0.222 -7.495 1.00 0.00 C ATOM 362 C LYS A 25 -10.410 0.044 -5.975 1.00 0.00 C ATOM 363 O LYS A 25 -11.145 0.699 -5.263 1.00 0.00 O ATOM 364 CB LYS A 25 -9.563 1.418 -7.904 1.00 0.00 C ATOM 365 CG LYS A 25 -9.406 1.443 -9.425 1.00 0.00 C ATOM 366 CD LYS A 25 -9.221 2.888 -9.894 1.00 0.00 C ATOM 367 CE LYS A 25 -8.860 2.902 -11.382 1.00 0.00 C ATOM 368 NZ LYS A 25 -7.392 3.148 -11.418 1.00 0.00 N ATOM 0 H LYS A 25 -11.981 1.561 -8.087 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.058 -0.706 -7.935 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.024 2.344 -7.561 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.584 1.353 -7.429 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.548 0.840 -9.723 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.284 1.005 -9.899 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.136 3.456 -9.726 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -8.435 3.372 -9.314 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -9.114 1.955 -11.859 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -9.405 3.683 -11.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -7.068 3.171 -12.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -7.181 4.059 -10.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -6.900 2.385 -10.910 1.00 0.00 H new ATOM 382 N TYR A 26 -9.597 -0.844 -5.465 1.00 0.00 N ATOM 383 CA TYR A 26 -9.578 -1.052 -3.989 1.00 0.00 C ATOM 384 C TYR A 26 -8.168 -0.938 -3.409 1.00 0.00 C ATOM 385 O TYR A 26 -7.402 -1.880 -3.415 1.00 0.00 O ATOM 386 CB TYR A 26 -10.136 -2.457 -3.785 1.00 0.00 C ATOM 387 CG TYR A 26 -11.643 -2.408 -3.846 1.00 0.00 C ATOM 388 CD1 TYR A 26 -12.287 -2.249 -5.078 1.00 0.00 C ATOM 389 CD2 TYR A 26 -12.396 -2.514 -2.671 1.00 0.00 C ATOM 390 CE1 TYR A 26 -13.684 -2.196 -5.137 1.00 0.00 C ATOM 391 CE2 TYR A 26 -13.794 -2.463 -2.730 1.00 0.00 C ATOM 392 CZ TYR A 26 -14.438 -2.303 -3.963 1.00 0.00 C ATOM 393 OH TYR A 26 -15.816 -2.250 -4.021 1.00 0.00 O ATOM 0 H TYR A 26 -8.953 -1.427 -6.000 1.00 0.00 H new ATOM 0 HA TYR A 26 -10.164 -0.290 -3.475 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -9.751 -3.129 -4.552 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -9.812 -2.853 -2.823 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -11.705 -2.167 -5.984 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -11.899 -2.635 -1.720 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -14.180 -2.073 -6.088 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -14.376 -2.547 -1.824 1.00 0.00 H new ATOM 0 HH TYR A 26 -16.100 -2.134 -4.952 1.00 0.00 H new ATOM 403 N THR A 27 -7.844 0.205 -2.871 1.00 0.00 N ATOM 404 CA THR A 27 -6.511 0.400 -2.247 1.00 0.00 C ATOM 405 C THR A 27 -6.521 -0.229 -0.862 1.00 0.00 C ATOM 406 O THR A 27 -7.387 0.039 -0.052 1.00 0.00 O ATOM 407 CB THR A 27 -6.326 1.915 -2.154 1.00 0.00 C ATOM 408 OG1 THR A 27 -6.851 2.528 -3.324 1.00 0.00 O ATOM 409 CG2 THR A 27 -4.837 2.240 -2.028 1.00 0.00 C ATOM 0 H THR A 27 -8.456 1.021 -2.838 1.00 0.00 H new ATOM 0 HA THR A 27 -5.703 -0.060 -2.815 1.00 0.00 H new ATOM 0 HB THR A 27 -6.854 2.294 -1.279 1.00 0.00 H new ATOM 0 HG1 THR A 27 -6.735 3.499 -3.265 1.00 0.00 H new ATOM 0 HG21 THR A 27 -4.705 3.320 -1.962 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.437 1.770 -1.130 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.307 1.863 -2.902 1.00 0.00 H new ATOM 417 N PHE A 28 -5.589 -1.086 -0.591 1.00 0.00 N ATOM 418 CA PHE A 28 -5.573 -1.757 0.734 1.00 0.00 C ATOM 419 C PHE A 28 -4.226 -1.600 1.426 1.00 0.00 C ATOM 420 O PHE A 28 -3.225 -1.297 0.813 1.00 0.00 O ATOM 421 CB PHE A 28 -5.803 -3.231 0.423 1.00 0.00 C ATOM 422 CG PHE A 28 -7.232 -3.466 0.005 1.00 0.00 C ATOM 423 CD1 PHE A 28 -8.278 -2.786 0.640 1.00 0.00 C ATOM 424 CD2 PHE A 28 -7.506 -4.374 -1.020 1.00 0.00 C ATOM 425 CE1 PHE A 28 -9.601 -3.015 0.246 1.00 0.00 C ATOM 426 CE2 PHE A 28 -8.828 -4.605 -1.417 1.00 0.00 C ATOM 427 CZ PHE A 28 -9.877 -3.924 -0.784 1.00 0.00 C ATOM 0 H PHE A 28 -4.837 -1.353 -1.226 1.00 0.00 H new ATOM 0 HA PHE A 28 -6.323 -1.329 1.399 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -5.128 -3.551 -0.371 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -5.571 -3.834 1.301 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -8.064 -2.085 1.433 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -6.697 -4.898 -1.507 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -10.409 -2.491 0.735 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -9.040 -5.307 -2.210 1.00 0.00 H new ATOM 0 HZ PHE A 28 -10.898 -4.100 -1.090 1.00 0.00 H new ATOM 437 N TRP A 29 -4.194 -1.878 2.697 1.00 0.00 N ATOM 438 CA TRP A 29 -2.921 -1.834 3.448 1.00 0.00 C ATOM 439 C TRP A 29 -2.532 -3.283 3.642 1.00 0.00 C ATOM 440 O TRP A 29 -3.310 -4.070 4.145 1.00 0.00 O ATOM 441 CB TRP A 29 -3.245 -1.168 4.785 1.00 0.00 C ATOM 442 CG TRP A 29 -3.218 0.319 4.628 1.00 0.00 C ATOM 443 CD1 TRP A 29 -4.286 1.134 4.781 1.00 0.00 C ATOM 444 CD2 TRP A 29 -2.089 1.179 4.296 1.00 0.00 C ATOM 445 NE1 TRP A 29 -3.887 2.440 4.561 1.00 0.00 N ATOM 446 CE2 TRP A 29 -2.542 2.519 4.259 1.00 0.00 C ATOM 447 CE3 TRP A 29 -0.732 0.931 4.025 1.00 0.00 C ATOM 448 CZ2 TRP A 29 -1.679 3.575 3.965 1.00 0.00 C ATOM 449 CZ3 TRP A 29 0.140 1.991 3.727 1.00 0.00 C ATOM 450 CH2 TRP A 29 -0.333 3.310 3.697 1.00 0.00 C ATOM 0 H TRP A 29 -5.010 -2.137 3.251 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.114 -1.288 2.958 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -4.227 -1.489 5.133 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -2.522 -1.477 5.540 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -5.287 0.817 5.034 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -4.510 3.246 4.615 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -0.357 -0.082 4.046 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -2.048 4.590 3.945 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.180 1.789 3.520 1.00 0.00 H new ATOM 0 HH2 TRP A 29 0.342 4.121 3.467 1.00 0.00 H new ATOM 461 N VAL A 30 -1.391 -3.685 3.197 1.00 0.00 N ATOM 462 CA VAL A 30 -1.073 -5.120 3.322 1.00 0.00 C ATOM 463 C VAL A 30 0.404 -5.361 3.612 1.00 0.00 C ATOM 464 O VAL A 30 1.257 -4.534 3.353 1.00 0.00 O ATOM 465 CB VAL A 30 -1.502 -5.691 1.967 1.00 0.00 C ATOM 466 CG1 VAL A 30 -1.105 -4.739 0.835 1.00 0.00 C ATOM 467 CG2 VAL A 30 -0.845 -7.030 1.732 1.00 0.00 C ATOM 0 H VAL A 30 -0.678 -3.100 2.761 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.582 -5.595 4.160 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.585 -5.811 1.978 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.417 -5.160 -0.121 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.591 -3.775 0.983 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.023 -4.604 0.836 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.159 -7.425 0.765 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.238 -6.910 1.741 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.140 -7.723 2.520 1.00 0.00 H new ATOM 477 N HIS A 31 0.690 -6.498 4.172 1.00 0.00 N ATOM 478 CA HIS A 31 2.094 -6.849 4.526 1.00 0.00 C ATOM 479 C HIS A 31 2.974 -6.912 3.276 1.00 0.00 C ATOM 480 O HIS A 31 2.504 -7.211 2.197 1.00 0.00 O ATOM 481 CB HIS A 31 1.988 -8.228 5.177 1.00 0.00 C ATOM 482 CG HIS A 31 2.921 -8.306 6.355 1.00 0.00 C ATOM 483 ND1 HIS A 31 3.691 -9.429 6.615 1.00 0.00 N ATOM 484 CD2 HIS A 31 3.217 -7.409 7.351 1.00 0.00 C ATOM 485 CE1 HIS A 31 4.406 -9.180 7.727 1.00 0.00 C ATOM 486 NE2 HIS A 31 4.155 -7.963 8.217 1.00 0.00 N ATOM 0 H HIS A 31 0.001 -7.213 4.404 1.00 0.00 H new ATOM 0 HA HIS A 31 2.550 -6.109 5.183 1.00 0.00 H new ATOM 0 HB2 HIS A 31 0.963 -8.410 5.500 1.00 0.00 H new ATOM 0 HB3 HIS A 31 2.237 -9.003 4.452 1.00 0.00 H new ATOM 0 HD2 HIS A 31 2.787 -6.423 7.448 1.00 0.00 H new ATOM 0 HE1 HIS A 31 5.099 -9.880 8.170 1.00 0.00 H new ATOM 0 HE2 HIS A 31 4.563 -7.533 9.047 1.00 0.00 H new ATOM 494 N PRO A 32 4.235 -6.637 3.477 1.00 0.00 N ATOM 495 CA PRO A 32 5.209 -6.670 2.360 1.00 0.00 C ATOM 496 C PRO A 32 5.503 -8.115 1.972 1.00 0.00 C ATOM 497 O PRO A 32 6.576 -8.631 2.216 1.00 0.00 O ATOM 498 CB PRO A 32 6.448 -6.009 2.949 1.00 0.00 C ATOM 499 CG PRO A 32 6.334 -6.211 4.426 1.00 0.00 C ATOM 500 CD PRO A 32 4.864 -6.272 4.750 1.00 0.00 C ATOM 0 HA PRO A 32 4.854 -6.170 1.459 1.00 0.00 H new ATOM 0 HB2 PRO A 32 7.359 -6.462 2.559 1.00 0.00 H new ATOM 0 HB3 PRO A 32 6.486 -4.949 2.698 1.00 0.00 H new ATOM 0 HG2 PRO A 32 6.834 -7.131 4.729 1.00 0.00 H new ATOM 0 HG3 PRO A 32 6.814 -5.394 4.965 1.00 0.00 H new ATOM 0 HD2 PRO A 32 4.656 -7.011 5.524 1.00 0.00 H new ATOM 0 HD3 PRO A 32 4.496 -5.314 5.117 1.00 0.00 H new ATOM 508 N LYS A 33 4.551 -8.777 1.387 1.00 0.00 N ATOM 509 CA LYS A 33 4.764 -10.198 1.000 1.00 0.00 C ATOM 510 C LYS A 33 3.502 -10.753 0.344 1.00 0.00 C ATOM 511 O LYS A 33 3.566 -11.591 -0.531 1.00 0.00 O ATOM 512 CB LYS A 33 5.048 -10.925 2.316 1.00 0.00 C ATOM 513 CG LYS A 33 4.090 -10.424 3.403 1.00 0.00 C ATOM 514 CD LYS A 33 3.254 -11.596 3.925 1.00 0.00 C ATOM 515 CE LYS A 33 1.767 -11.297 3.724 1.00 0.00 C ATOM 516 NZ LYS A 33 1.097 -12.626 3.783 1.00 0.00 N ATOM 0 H LYS A 33 3.632 -8.397 1.159 1.00 0.00 H new ATOM 0 HA LYS A 33 5.577 -10.319 0.284 1.00 0.00 H new ATOM 0 HB2 LYS A 33 4.929 -12.000 2.181 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.080 -10.754 2.621 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.653 -9.973 4.220 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.438 -9.649 2.999 1.00 0.00 H new ATOM 0 HD2 LYS A 33 3.525 -12.512 3.399 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.462 -11.762 4.982 1.00 0.00 H new ATOM 0 HE2 LYS A 33 1.390 -10.630 4.499 1.00 0.00 H new ATOM 0 HE3 LYS A 33 1.588 -10.807 2.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 0.094 -12.499 4.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 1.172 -13.094 2.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.557 -13.215 4.507 1.00 0.00 H new ATOM 530 N ALA A 34 2.353 -10.288 0.762 1.00 0.00 N ATOM 531 CA ALA A 34 1.086 -10.787 0.159 1.00 0.00 C ATOM 532 C ALA A 34 1.228 -10.842 -1.366 1.00 0.00 C ATOM 533 O ALA A 34 0.992 -9.871 -2.056 1.00 0.00 O ATOM 534 CB ALA A 34 0.026 -9.762 0.558 1.00 0.00 C ATOM 0 H ALA A 34 2.240 -9.586 1.493 1.00 0.00 H new ATOM 0 HA ALA A 34 0.828 -11.790 0.499 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.940 -10.060 0.150 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.039 -9.711 1.645 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.300 -8.783 0.164 1.00 0.00 H new ATOM 540 N THR A 35 1.626 -11.966 -1.894 1.00 0.00 N ATOM 541 CA THR A 35 1.800 -12.078 -3.371 1.00 0.00 C ATOM 542 C THR A 35 0.632 -11.413 -4.101 1.00 0.00 C ATOM 543 O THR A 35 -0.511 -11.545 -3.709 1.00 0.00 O ATOM 544 CB THR A 35 1.825 -13.581 -3.654 1.00 0.00 C ATOM 545 OG1 THR A 35 1.147 -14.268 -2.612 1.00 0.00 O ATOM 546 CG2 THR A 35 3.274 -14.064 -3.729 1.00 0.00 C ATOM 0 H THR A 35 1.839 -12.813 -1.367 1.00 0.00 H new ATOM 0 HA THR A 35 2.707 -11.582 -3.715 1.00 0.00 H new ATOM 0 HB THR A 35 1.329 -13.781 -4.604 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.360 -15.223 -2.657 1.00 0.00 H new ATOM 0 HG21 THR A 35 3.291 -15.135 -3.931 1.00 0.00 H new ATOM 0 HG22 THR A 35 3.793 -13.536 -4.529 1.00 0.00 H new ATOM 0 HG23 THR A 35 3.773 -13.866 -2.781 1.00 0.00 H new ATOM 554 N LYS A 36 0.908 -10.702 -5.163 1.00 0.00 N ATOM 555 CA LYS A 36 -0.194 -10.037 -5.917 1.00 0.00 C ATOM 556 C LYS A 36 -1.366 -11.007 -6.066 1.00 0.00 C ATOM 557 O LYS A 36 -2.516 -10.627 -5.976 1.00 0.00 O ATOM 558 CB LYS A 36 0.404 -9.694 -7.282 1.00 0.00 C ATOM 559 CG LYS A 36 -0.212 -8.393 -7.796 1.00 0.00 C ATOM 560 CD LYS A 36 0.897 -7.383 -8.095 1.00 0.00 C ATOM 561 CE LYS A 36 0.284 -5.998 -8.315 1.00 0.00 C ATOM 562 NZ LYS A 36 -0.042 -5.949 -9.767 1.00 0.00 N ATOM 0 H LYS A 36 1.845 -10.554 -5.539 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.571 -9.147 -5.413 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.486 -9.589 -7.201 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.214 -10.503 -7.988 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.795 -8.586 -8.697 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.898 -7.986 -7.054 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.606 -7.351 -7.268 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.454 -7.690 -8.980 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.609 -5.860 -7.705 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.983 -5.208 -8.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.139 -4.992 -10.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.551 -6.633 -10.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.045 -6.188 -9.906 1.00 0.00 H new ATOM 576 N THR A 37 -1.078 -12.261 -6.281 1.00 0.00 N ATOM 577 CA THR A 37 -2.171 -13.263 -6.420 1.00 0.00 C ATOM 578 C THR A 37 -2.840 -13.486 -5.065 1.00 0.00 C ATOM 579 O THR A 37 -4.050 -13.528 -4.956 1.00 0.00 O ATOM 580 CB THR A 37 -1.486 -14.534 -6.888 1.00 0.00 C ATOM 581 OG1 THR A 37 -0.540 -14.223 -7.902 1.00 0.00 O ATOM 582 CG2 THR A 37 -2.530 -15.507 -7.435 1.00 0.00 C ATOM 0 H THR A 37 -0.133 -12.635 -6.366 1.00 0.00 H new ATOM 0 HA THR A 37 -2.945 -12.941 -7.116 1.00 0.00 H new ATOM 0 HB THR A 37 -0.969 -14.996 -6.047 1.00 0.00 H new ATOM 0 HG1 THR A 37 -0.098 -15.045 -8.201 1.00 0.00 H new ATOM 0 HG21 THR A 37 -2.037 -16.419 -7.771 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.247 -15.750 -6.651 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.052 -15.047 -8.274 1.00 0.00 H new ATOM 590 N GLU A 38 -2.060 -13.622 -4.027 1.00 0.00 N ATOM 591 CA GLU A 38 -2.648 -13.833 -2.675 1.00 0.00 C ATOM 592 C GLU A 38 -3.622 -12.699 -2.358 1.00 0.00 C ATOM 593 O GLU A 38 -4.692 -12.917 -1.825 1.00 0.00 O ATOM 594 CB GLU A 38 -1.459 -13.813 -1.714 1.00 0.00 C ATOM 595 CG GLU A 38 -0.968 -15.243 -1.477 1.00 0.00 C ATOM 596 CD GLU A 38 -1.894 -15.943 -0.479 1.00 0.00 C ATOM 597 OE1 GLU A 38 -3.080 -15.656 -0.499 1.00 0.00 O ATOM 598 OE2 GLU A 38 -1.400 -16.753 0.288 1.00 0.00 O ATOM 0 H GLU A 38 -1.041 -13.596 -4.058 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.205 -14.767 -2.600 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.654 -13.205 -2.127 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.750 -13.356 -0.768 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.948 -15.793 -2.418 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.053 -15.230 -1.094 1.00 0.00 H new ATOM 605 N ILE A 39 -3.269 -11.489 -2.699 1.00 0.00 N ATOM 606 CA ILE A 39 -4.188 -10.349 -2.434 1.00 0.00 C ATOM 607 C ILE A 39 -5.521 -10.625 -3.128 1.00 0.00 C ATOM 608 O ILE A 39 -6.572 -10.224 -2.674 1.00 0.00 O ATOM 609 CB ILE A 39 -3.492 -9.129 -3.039 1.00 0.00 C ATOM 610 CG1 ILE A 39 -2.271 -8.772 -2.190 1.00 0.00 C ATOM 611 CG2 ILE A 39 -4.458 -7.941 -3.063 1.00 0.00 C ATOM 612 CD1 ILE A 39 -1.381 -7.795 -2.959 1.00 0.00 C ATOM 0 H ILE A 39 -2.387 -11.243 -3.148 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.394 -10.195 -1.375 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.179 -9.359 -4.057 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.588 -8.326 -1.247 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.710 -9.674 -1.943 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.958 -7.074 -3.495 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.331 -8.194 -3.665 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.774 -7.708 -2.046 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.511 -7.541 -2.353 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.053 -8.257 -3.890 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -1.944 -6.889 -3.183 1.00 0.00 H new ATOM 624 N LYS A 40 -5.479 -11.327 -4.222 1.00 0.00 N ATOM 625 CA LYS A 40 -6.737 -11.654 -4.943 1.00 0.00 C ATOM 626 C LYS A 40 -7.603 -12.560 -4.068 1.00 0.00 C ATOM 627 O LYS A 40 -8.797 -12.376 -3.947 1.00 0.00 O ATOM 628 CB LYS A 40 -6.285 -12.407 -6.193 1.00 0.00 C ATOM 629 CG LYS A 40 -7.468 -12.566 -7.147 1.00 0.00 C ATOM 630 CD LYS A 40 -6.959 -12.954 -8.536 1.00 0.00 C ATOM 631 CE LYS A 40 -8.081 -12.769 -9.561 1.00 0.00 C ATOM 632 NZ LYS A 40 -8.451 -14.149 -9.979 1.00 0.00 N ATOM 0 H LYS A 40 -4.627 -11.689 -4.649 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.325 -10.770 -5.187 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.477 -11.865 -6.685 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.891 -13.386 -5.919 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.150 -13.329 -6.772 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.031 -11.634 -7.202 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -6.101 -12.339 -8.805 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.620 -13.990 -8.535 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.932 -12.247 -9.124 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -7.745 -12.176 -10.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -9.216 -14.105 -10.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -7.623 -14.619 -10.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -8.773 -14.688 -9.150 1.00 0.00 H new ATOM 646 N ASN A 41 -6.997 -13.543 -3.464 1.00 0.00 N ATOM 647 CA ASN A 41 -7.761 -14.485 -2.597 1.00 0.00 C ATOM 648 C ASN A 41 -8.163 -13.822 -1.274 1.00 0.00 C ATOM 649 O ASN A 41 -9.273 -13.982 -0.811 1.00 0.00 O ATOM 650 CB ASN A 41 -6.803 -15.647 -2.339 1.00 0.00 C ATOM 651 CG ASN A 41 -6.822 -16.602 -3.533 1.00 0.00 C ATOM 652 OD1 ASN A 41 -7.709 -17.424 -3.653 1.00 0.00 O ATOM 653 ND2 ASN A 41 -5.876 -16.528 -4.428 1.00 0.00 N ATOM 0 H ASN A 41 -5.998 -13.736 -3.534 1.00 0.00 H new ATOM 0 HA ASN A 41 -8.688 -14.806 -3.073 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.793 -15.270 -2.178 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.094 -16.177 -1.432 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -5.881 -17.160 -5.229 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -5.132 -15.838 -4.327 1.00 0.00 H new ATOM 660 N ALA A 42 -7.278 -13.089 -0.646 1.00 0.00 N ATOM 661 CA ALA A 42 -7.649 -12.453 0.653 1.00 0.00 C ATOM 662 C ALA A 42 -8.868 -11.542 0.469 1.00 0.00 C ATOM 663 O ALA A 42 -9.840 -11.643 1.192 1.00 0.00 O ATOM 664 CB ALA A 42 -6.422 -11.635 1.086 1.00 0.00 C ATOM 0 H ALA A 42 -6.329 -12.906 -0.971 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.916 -13.196 1.404 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.630 -11.142 2.035 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.565 -12.298 1.202 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.200 -10.884 0.328 1.00 0.00 H new ATOM 670 N VAL A 43 -8.830 -10.658 -0.485 1.00 0.00 N ATOM 671 CA VAL A 43 -9.993 -9.752 -0.700 1.00 0.00 C ATOM 672 C VAL A 43 -11.226 -10.570 -1.112 1.00 0.00 C ATOM 673 O VAL A 43 -12.304 -10.392 -0.580 1.00 0.00 O ATOM 674 CB VAL A 43 -9.534 -8.779 -1.804 1.00 0.00 C ATOM 675 CG1 VAL A 43 -10.491 -8.795 -3.002 1.00 0.00 C ATOM 676 CG2 VAL A 43 -9.486 -7.366 -1.225 1.00 0.00 C ATOM 0 H VAL A 43 -8.047 -10.522 -1.125 1.00 0.00 H new ATOM 0 HA VAL A 43 -10.287 -9.208 0.197 1.00 0.00 H new ATOM 0 HB VAL A 43 -8.549 -9.092 -2.151 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -10.136 -8.097 -3.761 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -10.530 -9.800 -3.423 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -11.488 -8.499 -2.675 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -9.162 -6.667 -1.997 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -10.478 -7.083 -0.872 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.783 -7.338 -0.392 1.00 0.00 H new ATOM 686 N GLU A 44 -11.077 -11.470 -2.047 1.00 0.00 N ATOM 687 CA GLU A 44 -12.246 -12.294 -2.469 1.00 0.00 C ATOM 688 C GLU A 44 -12.818 -13.024 -1.254 1.00 0.00 C ATOM 689 O GLU A 44 -14.013 -13.056 -1.039 1.00 0.00 O ATOM 690 CB GLU A 44 -11.688 -13.292 -3.484 1.00 0.00 C ATOM 691 CG GLU A 44 -12.137 -12.891 -4.891 1.00 0.00 C ATOM 692 CD GLU A 44 -13.109 -13.939 -5.434 1.00 0.00 C ATOM 693 OE1 GLU A 44 -12.652 -15.010 -5.796 1.00 0.00 O ATOM 694 OE2 GLU A 44 -14.295 -13.652 -5.478 1.00 0.00 O ATOM 0 H GLU A 44 -10.203 -11.669 -2.534 1.00 0.00 H new ATOM 0 HA GLU A 44 -13.049 -11.695 -2.898 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -10.600 -13.313 -3.430 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -12.038 -14.298 -3.252 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -12.617 -11.913 -4.866 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -11.273 -12.805 -5.550 1.00 0.00 H new ATOM 701 N THR A 45 -11.967 -13.598 -0.449 1.00 0.00 N ATOM 702 CA THR A 45 -12.448 -14.315 0.764 1.00 0.00 C ATOM 703 C THR A 45 -12.784 -13.295 1.861 1.00 0.00 C ATOM 704 O THR A 45 -13.407 -13.617 2.854 1.00 0.00 O ATOM 705 CB THR A 45 -11.287 -15.243 1.148 1.00 0.00 C ATOM 706 OG1 THR A 45 -11.730 -16.591 1.087 1.00 0.00 O ATOM 707 CG2 THR A 45 -10.790 -14.941 2.558 1.00 0.00 C ATOM 0 H THR A 45 -10.955 -13.601 -0.580 1.00 0.00 H new ATOM 0 HA THR A 45 -13.361 -14.889 0.605 1.00 0.00 H new ATOM 0 HB THR A 45 -10.466 -15.081 0.450 1.00 0.00 H new ATOM 0 HG1 THR A 45 -10.992 -17.189 1.330 1.00 0.00 H new ATOM 0 HG21 THR A 45 -9.968 -15.612 2.805 1.00 0.00 H new ATOM 0 HG22 THR A 45 -10.444 -13.909 2.608 1.00 0.00 H new ATOM 0 HG23 THR A 45 -11.603 -15.086 3.269 1.00 0.00 H new ATOM 715 N ALA A 46 -12.377 -12.066 1.682 1.00 0.00 N ATOM 716 CA ALA A 46 -12.672 -11.023 2.707 1.00 0.00 C ATOM 717 C ALA A 46 -13.913 -10.220 2.304 1.00 0.00 C ATOM 718 O ALA A 46 -14.965 -10.348 2.897 1.00 0.00 O ATOM 719 CB ALA A 46 -11.434 -10.126 2.728 1.00 0.00 C ATOM 0 H ALA A 46 -11.853 -11.740 0.870 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.879 -11.454 3.687 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.573 -9.331 3.460 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.560 -10.719 2.998 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -11.285 -9.688 1.741 1.00 0.00 H new ATOM 725 N PHE A 47 -13.798 -9.390 1.301 1.00 0.00 N ATOM 726 CA PHE A 47 -14.975 -8.582 0.867 1.00 0.00 C ATOM 727 C PHE A 47 -16.000 -9.476 0.166 1.00 0.00 C ATOM 728 O PHE A 47 -17.170 -9.154 0.084 1.00 0.00 O ATOM 729 CB PHE A 47 -14.407 -7.551 -0.108 1.00 0.00 C ATOM 730 CG PHE A 47 -13.681 -6.474 0.663 1.00 0.00 C ATOM 731 CD1 PHE A 47 -14.388 -5.645 1.542 1.00 0.00 C ATOM 732 CD2 PHE A 47 -12.302 -6.302 0.496 1.00 0.00 C ATOM 733 CE1 PHE A 47 -13.716 -4.647 2.256 1.00 0.00 C ATOM 734 CE2 PHE A 47 -11.629 -5.303 1.209 1.00 0.00 C ATOM 735 CZ PHE A 47 -12.336 -4.475 2.089 1.00 0.00 C ATOM 0 H PHE A 47 -12.943 -9.237 0.765 1.00 0.00 H new ATOM 0 HA PHE A 47 -15.487 -8.111 1.707 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -13.725 -8.034 -0.808 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -15.211 -7.111 -0.698 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -15.452 -5.776 1.669 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -11.757 -6.940 -0.183 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -14.261 -4.009 2.936 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -10.565 -5.171 1.080 1.00 0.00 H new ATOM 0 HZ PHE A 47 -11.817 -3.704 2.639 1.00 0.00 H new ATOM 745 N LYS A 48 -15.568 -10.598 -0.339 1.00 0.00 N ATOM 746 CA LYS A 48 -16.506 -11.523 -1.037 1.00 0.00 C ATOM 747 C LYS A 48 -16.973 -10.901 -2.347 1.00 0.00 C ATOM 748 O LYS A 48 -18.139 -10.933 -2.688 1.00 0.00 O ATOM 749 CB LYS A 48 -17.681 -11.715 -0.076 1.00 0.00 C ATOM 750 CG LYS A 48 -17.794 -13.192 0.303 1.00 0.00 C ATOM 751 CD LYS A 48 -19.197 -13.701 -0.038 1.00 0.00 C ATOM 752 CE LYS A 48 -19.324 -13.867 -1.554 1.00 0.00 C ATOM 753 NZ LYS A 48 -20.607 -14.597 -1.753 1.00 0.00 N ATOM 0 H LYS A 48 -14.600 -10.916 -0.298 1.00 0.00 H new ATOM 0 HA LYS A 48 -16.037 -12.475 -1.286 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -17.536 -11.109 0.818 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -18.606 -11.377 -0.543 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -17.044 -13.774 -0.233 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -17.597 -13.321 1.367 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -19.381 -14.653 0.460 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -19.948 -13.000 0.326 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -19.337 -12.900 -2.058 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -18.483 -14.428 -1.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -20.766 -14.749 -2.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -20.562 -15.516 -1.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -21.390 -14.036 -1.361 1.00 0.00 H new ATOM 767 N VAL A 49 -16.065 -10.331 -3.082 1.00 0.00 N ATOM 768 CA VAL A 49 -16.434 -9.699 -4.369 1.00 0.00 C ATOM 769 C VAL A 49 -15.706 -10.385 -5.528 1.00 0.00 C ATOM 770 O VAL A 49 -15.226 -11.496 -5.406 1.00 0.00 O ATOM 771 CB VAL A 49 -15.980 -8.245 -4.215 1.00 0.00 C ATOM 772 CG1 VAL A 49 -14.508 -8.091 -4.615 1.00 0.00 C ATOM 773 CG2 VAL A 49 -16.844 -7.364 -5.099 1.00 0.00 C ATOM 0 H VAL A 49 -15.075 -10.277 -2.842 1.00 0.00 H new ATOM 0 HA VAL A 49 -17.498 -9.777 -4.591 1.00 0.00 H new ATOM 0 HB VAL A 49 -16.084 -7.948 -3.172 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -14.206 -7.050 -4.498 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -13.890 -8.722 -3.977 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -14.380 -8.391 -5.655 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -16.529 -6.326 -4.997 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -16.737 -7.675 -6.138 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -17.887 -7.458 -4.798 1.00 0.00 H new ATOM 783 N LYS A 50 -15.610 -9.723 -6.645 1.00 0.00 N ATOM 784 CA LYS A 50 -14.901 -10.322 -7.809 1.00 0.00 C ATOM 785 C LYS A 50 -13.696 -9.456 -8.176 1.00 0.00 C ATOM 786 O LYS A 50 -13.837 -8.395 -8.747 1.00 0.00 O ATOM 787 CB LYS A 50 -15.923 -10.331 -8.946 1.00 0.00 C ATOM 788 CG LYS A 50 -15.475 -11.325 -10.019 1.00 0.00 C ATOM 789 CD LYS A 50 -14.397 -10.680 -10.892 1.00 0.00 C ATOM 790 CE LYS A 50 -14.712 -10.937 -12.368 1.00 0.00 C ATOM 791 NZ LYS A 50 -14.634 -12.417 -12.524 1.00 0.00 N ATOM 0 H LYS A 50 -15.993 -8.791 -6.803 1.00 0.00 H new ATOM 0 HA LYS A 50 -14.530 -11.325 -7.599 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -16.906 -10.608 -8.565 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -16.017 -9.333 -9.374 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -15.087 -12.230 -9.552 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -16.325 -11.622 -10.633 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -14.352 -9.608 -10.700 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.418 -11.090 -10.642 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -15.701 -10.563 -12.632 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -13.997 -10.433 -13.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -14.431 -12.651 -13.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -13.876 -12.790 -11.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -15.541 -12.844 -12.246 1.00 0.00 H new ATOM 805 N VAL A 51 -12.516 -9.896 -7.848 1.00 0.00 N ATOM 806 CA VAL A 51 -11.307 -9.090 -8.174 1.00 0.00 C ATOM 807 C VAL A 51 -10.952 -9.256 -9.651 1.00 0.00 C ATOM 808 O VAL A 51 -10.685 -10.346 -10.117 1.00 0.00 O ATOM 809 CB VAL A 51 -10.203 -9.662 -7.286 1.00 0.00 C ATOM 810 CG1 VAL A 51 -8.840 -9.195 -7.800 1.00 0.00 C ATOM 811 CG2 VAL A 51 -10.402 -9.172 -5.850 1.00 0.00 C ATOM 0 H VAL A 51 -12.335 -10.778 -7.369 1.00 0.00 H new ATOM 0 HA VAL A 51 -11.456 -8.024 -8.001 1.00 0.00 H new ATOM 0 HB VAL A 51 -10.245 -10.751 -7.309 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -8.053 -9.603 -7.166 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -8.699 -9.542 -8.823 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -8.796 -8.106 -7.777 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.615 -9.579 -5.214 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -10.359 -8.083 -5.828 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -11.373 -9.505 -5.483 1.00 0.00 H new ATOM 821 N VAL A 52 -10.950 -8.184 -10.394 1.00 0.00 N ATOM 822 CA VAL A 52 -10.615 -8.287 -11.841 1.00 0.00 C ATOM 823 C VAL A 52 -9.185 -7.801 -12.089 1.00 0.00 C ATOM 824 O VAL A 52 -8.644 -7.960 -13.165 1.00 0.00 O ATOM 825 CB VAL A 52 -11.641 -7.400 -12.549 1.00 0.00 C ATOM 826 CG1 VAL A 52 -11.385 -5.928 -12.245 1.00 0.00 C ATOM 827 CG2 VAL A 52 -11.547 -7.619 -14.052 1.00 0.00 C ATOM 0 H VAL A 52 -11.165 -7.244 -10.062 1.00 0.00 H new ATOM 0 HA VAL A 52 -10.656 -9.312 -12.209 1.00 0.00 H new ATOM 0 HB VAL A 52 -12.635 -7.667 -12.190 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -12.126 -5.316 -12.759 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -11.458 -5.760 -11.170 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -10.387 -5.654 -12.588 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -12.277 -6.988 -14.558 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -10.545 -7.361 -14.395 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -11.751 -8.665 -14.281 1.00 0.00 H new ATOM 837 N LYS A 53 -8.565 -7.225 -11.097 1.00 0.00 N ATOM 838 CA LYS A 53 -7.164 -6.746 -11.270 1.00 0.00 C ATOM 839 C LYS A 53 -6.625 -6.214 -9.933 1.00 0.00 C ATOM 840 O LYS A 53 -7.270 -5.431 -9.263 1.00 0.00 O ATOM 841 CB LYS A 53 -7.252 -5.640 -12.337 1.00 0.00 C ATOM 842 CG LYS A 53 -7.337 -4.264 -11.679 1.00 0.00 C ATOM 843 CD LYS A 53 -7.827 -3.234 -12.701 1.00 0.00 C ATOM 844 CE LYS A 53 -6.634 -2.691 -13.491 1.00 0.00 C ATOM 845 NZ LYS A 53 -7.234 -1.838 -14.554 1.00 0.00 N ATOM 0 H LYS A 53 -8.967 -7.065 -10.174 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.479 -7.534 -11.581 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -6.379 -5.685 -12.988 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.127 -5.803 -12.966 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.017 -4.298 -10.828 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -6.360 -3.973 -11.294 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -8.547 -3.693 -13.379 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -8.342 -2.419 -12.193 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.966 -2.114 -12.851 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.043 -3.500 -13.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -6.478 -1.429 -15.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -7.859 -2.416 -15.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -7.785 -1.073 -14.115 1.00 0.00 H new ATOM 859 N VAL A 54 -5.453 -6.629 -9.538 1.00 0.00 N ATOM 860 CA VAL A 54 -4.894 -6.133 -8.247 1.00 0.00 C ATOM 861 C VAL A 54 -3.526 -5.484 -8.474 1.00 0.00 C ATOM 862 O VAL A 54 -2.631 -6.073 -9.047 1.00 0.00 O ATOM 863 CB VAL A 54 -4.784 -7.379 -7.345 1.00 0.00 C ATOM 864 CG1 VAL A 54 -3.459 -7.379 -6.570 1.00 0.00 C ATOM 865 CG2 VAL A 54 -5.932 -7.366 -6.338 1.00 0.00 C ATOM 0 H VAL A 54 -4.861 -7.285 -10.048 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.523 -5.369 -7.790 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.828 -8.267 -7.975 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.405 -8.268 -5.941 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.626 -7.381 -7.273 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.403 -6.488 -5.945 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.862 -8.244 -5.696 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.871 -6.464 -5.728 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.883 -7.380 -6.870 1.00 0.00 H new ATOM 875 N ASN A 55 -3.357 -4.282 -8.005 1.00 0.00 N ATOM 876 CA ASN A 55 -2.047 -3.600 -8.163 1.00 0.00 C ATOM 877 C ASN A 55 -1.618 -3.029 -6.815 1.00 0.00 C ATOM 878 O ASN A 55 -2.261 -2.161 -6.266 1.00 0.00 O ATOM 879 CB ASN A 55 -2.291 -2.483 -9.177 1.00 0.00 C ATOM 880 CG ASN A 55 -0.981 -2.144 -9.891 1.00 0.00 C ATOM 881 OD1 ASN A 55 -0.084 -2.960 -9.959 1.00 0.00 O ATOM 882 ND2 ASN A 55 -0.832 -0.965 -10.430 1.00 0.00 N ATOM 0 H ASN A 55 -4.072 -3.742 -7.518 1.00 0.00 H new ATOM 0 HA ASN A 55 -1.258 -4.271 -8.502 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.043 -2.794 -9.903 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.682 -1.599 -8.673 1.00 0.00 H new ATOM 0 HD21 ASN A 55 0.038 -0.729 -10.908 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -1.585 -0.279 -10.373 1.00 0.00 H new ATOM 889 N THR A 56 -0.542 -3.515 -6.270 1.00 0.00 N ATOM 890 CA THR A 56 -0.094 -2.997 -4.948 1.00 0.00 C ATOM 891 C THR A 56 1.250 -2.282 -5.088 1.00 0.00 C ATOM 892 O THR A 56 1.994 -2.510 -6.023 1.00 0.00 O ATOM 893 CB THR A 56 0.030 -4.216 -4.006 1.00 0.00 C ATOM 894 OG1 THR A 56 1.304 -4.195 -3.378 1.00 0.00 O ATOM 895 CG2 THR A 56 -0.131 -5.535 -4.771 1.00 0.00 C ATOM 0 H THR A 56 0.044 -4.243 -6.678 1.00 0.00 H new ATOM 0 HA THR A 56 -0.805 -2.274 -4.548 1.00 0.00 H new ATOM 0 HB THR A 56 -0.764 -4.153 -3.262 1.00 0.00 H new ATOM 0 HG1 THR A 56 1.854 -4.927 -3.729 1.00 0.00 H new ATOM 0 HG21 THR A 56 -0.038 -6.371 -4.078 1.00 0.00 H new ATOM 0 HG22 THR A 56 -1.112 -5.563 -5.245 1.00 0.00 H new ATOM 0 HG23 THR A 56 0.643 -5.609 -5.535 1.00 0.00 H new ATOM 903 N LEU A 57 1.561 -1.413 -4.168 1.00 0.00 N ATOM 904 CA LEU A 57 2.852 -0.672 -4.243 1.00 0.00 C ATOM 905 C LEU A 57 3.396 -0.416 -2.835 1.00 0.00 C ATOM 906 O LEU A 57 2.729 -0.658 -1.849 1.00 0.00 O ATOM 907 CB LEU A 57 2.508 0.649 -4.933 1.00 0.00 C ATOM 908 CG LEU A 57 1.229 1.229 -4.325 1.00 0.00 C ATOM 909 CD1 LEU A 57 1.490 2.661 -3.855 1.00 0.00 C ATOM 910 CD2 LEU A 57 0.121 1.235 -5.381 1.00 0.00 C ATOM 0 H LEU A 57 0.976 -1.183 -3.365 1.00 0.00 H new ATOM 0 HA LEU A 57 3.618 -1.228 -4.783 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.330 1.356 -4.818 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.373 0.488 -6.003 1.00 0.00 H new ATOM 0 HG LEU A 57 0.922 0.618 -3.476 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.579 3.074 -3.422 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.280 2.659 -3.104 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.798 3.272 -4.704 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.791 1.648 -4.949 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.430 1.846 -6.229 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.066 0.215 -5.718 1.00 0.00 H new ATOM 922 N HIS A 58 4.603 0.070 -2.733 1.00 0.00 N ATOM 923 CA HIS A 58 5.184 0.339 -1.387 1.00 0.00 C ATOM 924 C HIS A 58 4.758 1.724 -0.895 1.00 0.00 C ATOM 925 O HIS A 58 4.903 2.714 -1.585 1.00 0.00 O ATOM 926 CB HIS A 58 6.699 0.281 -1.587 1.00 0.00 C ATOM 927 CG HIS A 58 7.251 -0.917 -0.865 1.00 0.00 C ATOM 928 ND1 HIS A 58 6.691 -1.780 0.045 1.00 0.00 N flip ATOM 929 CD2 HIS A 58 8.553 -1.356 -1.048 1.00 0.00 C flip ATOM 930 CE1 HIS A 58 7.627 -2.738 0.421 1.00 0.00 C flip ATOM 931 NE2 HIS A 58 8.731 -2.437 -0.266 1.00 0.00 N flip ATOM 0 H HIS A 58 5.211 0.292 -3.522 1.00 0.00 H new ATOM 0 HA HIS A 58 4.846 -0.380 -0.641 1.00 0.00 H new ATOM 0 HB2 HIS A 58 6.935 0.220 -2.649 1.00 0.00 H new ATOM 0 HB3 HIS A 58 7.162 1.193 -1.209 1.00 0.00 H new ATOM 0 HD1 HIS A 58 5.734 -1.727 0.393 1.00 0.00 H new ATOM 0 HD2 HIS A 58 9.291 -0.911 -1.700 1.00 0.00 H new ATOM 0 HE1 HIS A 58 7.490 -3.551 1.119 1.00 0.00 H new ATOM 939 N VAL A 59 4.231 1.799 0.295 1.00 0.00 N ATOM 940 CA VAL A 59 3.791 3.119 0.841 1.00 0.00 C ATOM 941 C VAL A 59 4.582 3.450 2.108 1.00 0.00 C ATOM 942 O VAL A 59 4.697 2.644 3.008 1.00 0.00 O ATOM 943 CB VAL A 59 2.292 2.980 1.167 1.00 0.00 C ATOM 944 CG1 VAL A 59 1.473 3.706 0.099 1.00 0.00 C ATOM 945 CG2 VAL A 59 1.869 1.503 1.206 1.00 0.00 C ATOM 0 H VAL A 59 4.085 1.003 0.916 1.00 0.00 H new ATOM 0 HA VAL A 59 3.963 3.923 0.125 1.00 0.00 H new ATOM 0 HB VAL A 59 2.112 3.419 2.148 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.411 3.610 0.327 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.747 4.761 0.085 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.676 3.266 -0.877 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.806 1.435 1.438 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.058 1.045 0.235 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.442 0.981 1.972 1.00 0.00 H new ATOM 1245 N ARG A 76 5.896 -0.239 3.912 1.00 0.00 N ATOM 1246 CA ARG A 76 4.440 -0.561 3.857 1.00 0.00 C ATOM 1247 C ARG A 76 4.026 -0.857 2.413 1.00 0.00 C ATOM 1248 O ARG A 76 4.564 -0.299 1.479 1.00 0.00 O ATOM 1249 CB ARG A 76 3.732 0.691 4.374 1.00 0.00 C ATOM 1250 CG ARG A 76 2.656 0.291 5.386 1.00 0.00 C ATOM 1251 CD ARG A 76 1.832 -0.872 4.826 1.00 0.00 C ATOM 1252 NE ARG A 76 0.686 -1.015 5.765 1.00 0.00 N ATOM 1253 CZ ARG A 76 0.534 -2.118 6.445 1.00 0.00 C ATOM 1254 NH1 ARG A 76 1.265 -2.337 7.504 1.00 0.00 N ATOM 1255 NH2 ARG A 76 -0.347 -3.002 6.065 1.00 0.00 N ATOM 0 HA ARG A 76 4.187 -1.440 4.450 1.00 0.00 H new ATOM 0 HB2 ARG A 76 4.453 1.362 4.841 1.00 0.00 H new ATOM 0 HB3 ARG A 76 3.281 1.235 3.544 1.00 0.00 H new ATOM 0 HG2 ARG A 76 3.119 0.001 6.329 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.007 1.141 5.598 1.00 0.00 H new ATOM 0 HD2 ARG A 76 1.489 -0.662 3.813 1.00 0.00 H new ATOM 0 HD3 ARG A 76 2.421 -1.788 4.779 1.00 0.00 H new ATOM 0 HE ARG A 76 0.020 -0.251 5.877 1.00 0.00 H new ATOM 0 HH11 ARG A 76 1.955 -1.646 7.800 1.00 0.00 H new ATOM 0 HH12 ARG A 76 1.147 -3.199 8.036 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.917 -2.831 5.236 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -0.466 -3.864 6.596 1.00 0.00 H new ATOM 1269 N LYS A 77 3.079 -1.734 2.224 1.00 0.00 N ATOM 1270 CA LYS A 77 2.642 -2.065 0.838 1.00 0.00 C ATOM 1271 C LYS A 77 1.141 -1.817 0.669 1.00 0.00 C ATOM 1272 O LYS A 77 0.329 -2.310 1.427 1.00 0.00 O ATOM 1273 CB LYS A 77 2.960 -3.553 0.672 1.00 0.00 C ATOM 1274 CG LYS A 77 2.229 -4.100 -0.556 1.00 0.00 C ATOM 1275 CD LYS A 77 2.505 -5.600 -0.688 1.00 0.00 C ATOM 1276 CE LYS A 77 1.290 -6.290 -1.313 1.00 0.00 C ATOM 1277 NZ LYS A 77 1.858 -7.364 -2.176 1.00 0.00 N ATOM 0 H LYS A 77 2.590 -2.234 2.966 1.00 0.00 H new ATOM 0 HA LYS A 77 3.145 -1.449 0.093 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.035 -3.695 0.561 1.00 0.00 H new ATOM 0 HB3 LYS A 77 2.656 -4.102 1.563 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.157 -3.923 -0.463 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.562 -3.578 -1.453 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.388 -5.765 -1.306 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.716 -6.029 0.291 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.634 -6.704 -0.547 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.694 -5.588 -1.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.712 -7.119 -3.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.876 -7.459 -1.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.382 -8.265 -1.967 1.00 0.00 H new ATOM 1291 N LYS A 78 0.767 -1.066 -0.330 1.00 0.00 N ATOM 1292 CA LYS A 78 -0.680 -0.793 -0.564 1.00 0.00 C ATOM 1293 C LYS A 78 -1.183 -1.678 -1.707 1.00 0.00 C ATOM 1294 O LYS A 78 -0.427 -2.050 -2.578 1.00 0.00 O ATOM 1295 CB LYS A 78 -0.754 0.684 -0.953 1.00 0.00 C ATOM 1296 CG LYS A 78 -1.388 1.482 0.189 1.00 0.00 C ATOM 1297 CD LYS A 78 -2.556 2.309 -0.353 1.00 0.00 C ATOM 1298 CE LYS A 78 -2.431 3.754 0.139 1.00 0.00 C ATOM 1299 NZ LYS A 78 -1.919 4.515 -1.034 1.00 0.00 N ATOM 0 H LYS A 78 1.403 -0.628 -0.997 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.295 -1.005 0.311 1.00 0.00 H new ATOM 0 HB2 LYS A 78 0.245 1.065 -1.166 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.342 0.802 -1.863 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -1.738 0.806 0.969 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -0.646 2.137 0.645 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.559 2.284 -1.443 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.502 1.882 -0.022 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.393 4.142 0.473 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -1.748 3.826 0.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -1.807 5.516 -0.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -0.999 4.127 -1.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -2.593 4.434 -1.822 1.00 0.00 H new ATOM 1313 N ALA A 79 -2.442 -2.037 -1.709 1.00 0.00 N ATOM 1314 CA ALA A 79 -2.953 -2.915 -2.806 1.00 0.00 C ATOM 1315 C ALA A 79 -4.181 -2.325 -3.479 1.00 0.00 C ATOM 1316 O ALA A 79 -5.149 -1.979 -2.836 1.00 0.00 O ATOM 1317 CB ALA A 79 -3.341 -4.221 -2.136 1.00 0.00 C ATOM 0 H ALA A 79 -3.131 -1.764 -1.008 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.192 -3.036 -3.577 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.725 -4.914 -2.885 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.466 -4.657 -1.654 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.111 -4.032 -1.388 1.00 0.00 H new ATOM 1323 N ILE A 80 -4.161 -2.250 -4.778 1.00 0.00 N ATOM 1324 CA ILE A 80 -5.338 -1.721 -5.507 1.00 0.00 C ATOM 1325 C ILE A 80 -6.018 -2.863 -6.256 1.00 0.00 C ATOM 1326 O ILE A 80 -5.481 -3.413 -7.197 1.00 0.00 O ATOM 1327 CB ILE A 80 -4.790 -0.681 -6.481 1.00 0.00 C ATOM 1328 CG1 ILE A 80 -4.476 0.607 -5.721 1.00 0.00 C ATOM 1329 CG2 ILE A 80 -5.840 -0.388 -7.550 1.00 0.00 C ATOM 1330 CD1 ILE A 80 -3.539 0.307 -4.551 1.00 0.00 C ATOM 0 H ILE A 80 -3.377 -2.534 -5.366 1.00 0.00 H new ATOM 0 HA ILE A 80 -6.078 -1.277 -4.841 1.00 0.00 H new ATOM 0 HB ILE A 80 -3.883 -1.062 -6.950 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.014 1.331 -6.392 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.398 1.056 -5.353 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.452 0.354 -8.247 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.075 -1.305 -8.090 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -6.744 -0.004 -7.077 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.320 1.230 -4.014 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -4.017 -0.401 -3.874 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.611 -0.122 -4.929 1.00 0.00 H new ATOM 1342 N VAL A 81 -7.189 -3.228 -5.834 1.00 0.00 N ATOM 1343 CA VAL A 81 -7.907 -4.347 -6.506 1.00 0.00 C ATOM 1344 C VAL A 81 -9.144 -3.820 -7.228 1.00 0.00 C ATOM 1345 O VAL A 81 -9.966 -3.140 -6.649 1.00 0.00 O ATOM 1346 CB VAL A 81 -8.317 -5.290 -5.374 1.00 0.00 C ATOM 1347 CG1 VAL A 81 -8.867 -6.589 -5.963 1.00 0.00 C ATOM 1348 CG2 VAL A 81 -7.098 -5.600 -4.502 1.00 0.00 C ATOM 0 H VAL A 81 -7.685 -2.802 -5.051 1.00 0.00 H new ATOM 0 HA VAL A 81 -7.287 -4.845 -7.252 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.087 -4.814 -4.767 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -9.159 -7.260 -5.155 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -9.736 -6.368 -6.583 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -8.099 -7.066 -6.572 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -7.389 -6.272 -3.695 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.328 -6.075 -5.109 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.708 -4.674 -4.080 1.00 0.00 H new ATOM 1358 N GLN A 82 -9.299 -4.139 -8.482 1.00 0.00 N ATOM 1359 CA GLN A 82 -10.497 -3.662 -9.209 1.00 0.00 C ATOM 1360 C GLN A 82 -11.495 -4.792 -9.308 1.00 0.00 C ATOM 1361 O GLN A 82 -11.128 -5.949 -9.361 1.00 0.00 O ATOM 1362 CB GLN A 82 -10.018 -3.300 -10.608 1.00 0.00 C ATOM 1363 CG GLN A 82 -11.035 -2.382 -11.277 1.00 0.00 C ATOM 1364 CD GLN A 82 -10.527 -0.941 -11.245 1.00 0.00 C ATOM 1365 OE1 GLN A 82 -9.401 -0.690 -10.864 1.00 0.00 O ATOM 1366 NE2 GLN A 82 -11.313 0.022 -11.635 1.00 0.00 N ATOM 0 H GLN A 82 -8.650 -4.706 -9.028 1.00 0.00 H new ATOM 0 HA GLN A 82 -10.968 -2.816 -8.708 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -9.048 -2.806 -10.554 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -9.883 -4.204 -11.202 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -11.201 -2.697 -12.307 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -11.994 -2.451 -10.764 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -12.258 -0.189 -11.955 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -10.983 0.987 -11.621 1.00 0.00 H new ATOM 1375 N VAL A 83 -12.745 -4.487 -9.370 1.00 0.00 N ATOM 1376 CA VAL A 83 -13.716 -5.578 -9.515 1.00 0.00 C ATOM 1377 C VAL A 83 -14.357 -5.471 -10.886 1.00 0.00 C ATOM 1378 O VAL A 83 -14.386 -4.418 -11.491 1.00 0.00 O ATOM 1379 CB VAL A 83 -14.745 -5.424 -8.401 1.00 0.00 C ATOM 1380 CG1 VAL A 83 -14.047 -5.015 -7.103 1.00 0.00 C ATOM 1381 CG2 VAL A 83 -15.774 -4.361 -8.786 1.00 0.00 C ATOM 0 H VAL A 83 -13.132 -3.544 -9.327 1.00 0.00 H new ATOM 0 HA VAL A 83 -13.248 -6.559 -9.436 1.00 0.00 H new ATOM 0 HB VAL A 83 -15.252 -6.377 -8.253 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -14.787 -4.906 -6.310 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -13.324 -5.781 -6.822 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -13.532 -4.066 -7.250 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -16.506 -4.256 -7.985 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -15.270 -3.407 -8.944 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -16.280 -4.660 -9.704 1.00 0.00 H new ATOM 1391 N ALA A 84 -14.850 -6.546 -11.387 1.00 0.00 N ATOM 1392 CA ALA A 84 -15.470 -6.504 -12.730 1.00 0.00 C ATOM 1393 C ALA A 84 -16.614 -5.491 -12.764 1.00 0.00 C ATOM 1394 O ALA A 84 -17.025 -4.975 -11.744 1.00 0.00 O ATOM 1395 CB ALA A 84 -15.981 -7.914 -12.957 1.00 0.00 C ATOM 0 H ALA A 84 -14.854 -7.458 -10.930 1.00 0.00 H new ATOM 0 HA ALA A 84 -14.769 -6.193 -13.504 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -16.459 -7.975 -13.935 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -15.147 -8.614 -12.916 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -16.705 -8.167 -12.183 1.00 0.00 H new ATOM 1401 N PRO A 85 -17.078 -5.242 -13.951 1.00 0.00 N ATOM 1402 CA PRO A 85 -18.179 -4.278 -14.162 1.00 0.00 C ATOM 1403 C PRO A 85 -19.530 -4.919 -13.837 1.00 0.00 C ATOM 1404 O PRO A 85 -20.443 -4.906 -14.639 1.00 0.00 O ATOM 1405 CB PRO A 85 -18.076 -3.946 -15.647 1.00 0.00 C ATOM 1406 CG PRO A 85 -17.399 -5.118 -16.275 1.00 0.00 C ATOM 1407 CD PRO A 85 -16.615 -5.837 -15.203 1.00 0.00 C ATOM 0 HA PRO A 85 -18.106 -3.398 -13.524 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -19.062 -3.784 -16.082 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -17.504 -3.032 -15.805 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -18.134 -5.787 -16.723 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -16.736 -4.791 -17.076 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -16.803 -6.910 -15.226 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -15.542 -5.699 -15.335 1.00 0.00 H new ATOM 1415 N GLY A 86 -19.665 -5.477 -12.668 1.00 0.00 N ATOM 1416 CA GLY A 86 -20.961 -6.114 -12.296 1.00 0.00 C ATOM 1417 C GLY A 86 -20.975 -6.446 -10.800 1.00 0.00 C ATOM 1418 O GLY A 86 -21.700 -7.314 -10.357 1.00 0.00 O ATOM 0 H GLY A 86 -18.937 -5.521 -11.955 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -21.786 -5.444 -12.535 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -21.109 -7.023 -12.879 1.00 0.00 H new ATOM 1422 N GLN A 87 -20.182 -5.767 -10.014 1.00 0.00 N ATOM 1423 CA GLN A 87 -20.158 -6.052 -8.554 1.00 0.00 C ATOM 1424 C GLN A 87 -19.800 -4.785 -7.772 1.00 0.00 C ATOM 1425 O GLN A 87 -19.656 -3.717 -8.331 1.00 0.00 O ATOM 1426 CB GLN A 87 -19.074 -7.115 -8.367 1.00 0.00 C ATOM 1427 CG GLN A 87 -17.906 -6.854 -9.322 1.00 0.00 C ATOM 1428 CD GLN A 87 -18.073 -7.713 -10.577 1.00 0.00 C ATOM 1429 OE1 GLN A 87 -18.199 -7.195 -11.669 1.00 0.00 O ATOM 1430 NE2 GLN A 87 -18.082 -9.012 -10.467 1.00 0.00 N ATOM 0 H GLN A 87 -19.551 -5.028 -10.322 1.00 0.00 H new ATOM 0 HA GLN A 87 -21.128 -6.391 -8.189 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -18.719 -7.106 -7.336 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -19.490 -8.105 -8.552 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -17.872 -5.799 -9.592 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -16.961 -7.088 -8.831 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -17.976 -9.447 -9.550 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -18.195 -9.593 -11.297 1.00 0.00 H new ATOM 1439 N LYS A 88 -19.653 -4.903 -6.481 1.00 0.00 N ATOM 1440 CA LYS A 88 -19.301 -3.713 -5.651 1.00 0.00 C ATOM 1441 C LYS A 88 -19.191 -4.116 -4.178 1.00 0.00 C ATOM 1442 O LYS A 88 -20.167 -4.479 -3.551 1.00 0.00 O ATOM 1443 CB LYS A 88 -20.456 -2.729 -5.852 1.00 0.00 C ATOM 1444 CG LYS A 88 -21.762 -3.370 -5.380 1.00 0.00 C ATOM 1445 CD LYS A 88 -22.948 -2.623 -5.992 1.00 0.00 C ATOM 1446 CE LYS A 88 -23.630 -3.511 -7.035 1.00 0.00 C ATOM 1447 NZ LYS A 88 -24.459 -2.581 -7.850 1.00 0.00 N ATOM 0 H LYS A 88 -19.762 -5.775 -5.962 1.00 0.00 H new ATOM 0 HA LYS A 88 -18.344 -3.278 -5.937 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -20.267 -1.811 -5.295 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -20.534 -2.453 -6.904 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -21.790 -4.420 -5.672 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -21.822 -3.340 -4.292 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -23.659 -2.348 -5.213 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -22.608 -1.697 -6.455 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -22.896 -4.030 -7.652 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -24.245 -4.276 -6.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -24.958 -3.117 -8.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -25.153 -2.107 -7.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -23.846 -1.868 -8.295 1.00 0.00 H new ATOM 1461 N ILE A 89 -18.013 -4.056 -3.620 1.00 0.00 N ATOM 1462 CA ILE A 89 -17.850 -4.439 -2.188 1.00 0.00 C ATOM 1463 C ILE A 89 -18.717 -3.544 -1.297 1.00 0.00 C ATOM 1464 O ILE A 89 -18.361 -2.422 -0.998 1.00 0.00 O ATOM 1465 CB ILE A 89 -16.369 -4.225 -1.878 1.00 0.00 C ATOM 1466 CG1 ILE A 89 -15.533 -5.240 -2.664 1.00 0.00 C ATOM 1467 CG2 ILE A 89 -16.127 -4.421 -0.380 1.00 0.00 C ATOM 1468 CD1 ILE A 89 -14.081 -5.196 -2.184 1.00 0.00 C ATOM 0 H ILE A 89 -17.159 -3.759 -4.091 1.00 0.00 H new ATOM 0 HA ILE A 89 -18.158 -5.468 -2.004 1.00 0.00 H new ATOM 0 HB ILE A 89 -16.081 -3.213 -2.164 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -15.940 -6.242 -2.530 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -15.580 -5.017 -3.730 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -15.071 -4.268 -0.159 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -16.723 -3.702 0.182 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -16.415 -5.433 -0.094 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -13.490 -5.919 -2.746 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -13.676 -4.196 -2.341 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -14.041 -5.441 -1.123 1.00 0.00 H new ATOM 1480 N GLU A 90 -19.847 -4.034 -0.866 1.00 0.00 N ATOM 1481 CA GLU A 90 -20.726 -3.209 0.011 1.00 0.00 C ATOM 1482 C GLU A 90 -19.929 -2.710 1.218 1.00 0.00 C ATOM 1483 O GLU A 90 -20.215 -1.671 1.779 1.00 0.00 O ATOM 1484 CB GLU A 90 -21.840 -4.155 0.457 1.00 0.00 C ATOM 1485 CG GLU A 90 -22.632 -4.624 -0.765 1.00 0.00 C ATOM 1486 CD GLU A 90 -23.961 -3.868 -0.834 1.00 0.00 C ATOM 1487 OE1 GLU A 90 -24.044 -2.802 -0.248 1.00 0.00 O ATOM 1488 OE2 GLU A 90 -24.872 -4.367 -1.473 1.00 0.00 O ATOM 0 H GLU A 90 -20.199 -4.967 -1.082 1.00 0.00 H new ATOM 0 HA GLU A 90 -21.122 -2.331 -0.500 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -21.416 -5.012 0.979 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -22.502 -3.649 1.160 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -22.055 -4.451 -1.674 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -22.815 -5.697 -0.703 1.00 0.00 H new ATOM 1495 N ALA A 91 -18.927 -3.444 1.616 1.00 0.00 N ATOM 1496 CA ALA A 91 -18.101 -3.018 2.782 1.00 0.00 C ATOM 1497 C ALA A 91 -17.410 -1.697 2.482 1.00 0.00 C ATOM 1498 O ALA A 91 -17.180 -0.894 3.363 1.00 0.00 O ATOM 1499 CB ALA A 91 -17.072 -4.133 2.969 1.00 0.00 C ATOM 0 H ALA A 91 -18.643 -4.323 1.183 1.00 0.00 H new ATOM 0 HA ALA A 91 -18.701 -2.865 3.679 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -16.424 -3.892 3.812 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -17.586 -5.074 3.164 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -16.471 -4.229 2.065 1.00 0.00 H new ATOM 1505 N LEU A 92 -17.067 -1.461 1.252 1.00 0.00 N ATOM 1506 CA LEU A 92 -16.383 -0.189 0.930 1.00 0.00 C ATOM 1507 C LEU A 92 -17.284 0.767 0.178 1.00 0.00 C ATOM 1508 O LEU A 92 -16.875 1.852 -0.188 1.00 0.00 O ATOM 1509 CB LEU A 92 -15.185 -0.571 0.082 1.00 0.00 C ATOM 1510 CG LEU A 92 -13.973 -0.006 0.779 1.00 0.00 C ATOM 1511 CD1 LEU A 92 -12.802 -0.984 0.679 1.00 0.00 C ATOM 1512 CD2 LEU A 92 -13.595 1.331 0.144 1.00 0.00 C ATOM 0 H LEU A 92 -17.229 -2.088 0.464 1.00 0.00 H new ATOM 0 HA LEU A 92 -16.092 0.333 1.842 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -15.107 -1.654 -0.015 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -15.277 -0.166 -0.926 1.00 0.00 H new ATOM 0 HG LEU A 92 -14.207 0.149 1.832 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -11.933 -0.564 1.186 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -13.076 -1.928 1.149 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -12.561 -1.157 -0.370 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -12.719 1.739 0.648 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -13.369 1.181 -0.912 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -14.427 2.028 0.242 1.00 0.00 H new ATOM 1524 N GLU A 93 -18.499 0.403 -0.069 1.00 0.00 N ATOM 1525 CA GLU A 93 -19.366 1.342 -0.804 1.00 0.00 C ATOM 1526 C GLU A 93 -20.197 2.171 0.179 1.00 0.00 C ATOM 1527 O GLU A 93 -21.023 2.972 -0.210 1.00 0.00 O ATOM 1528 CB GLU A 93 -20.262 0.472 -1.686 1.00 0.00 C ATOM 1529 CG GLU A 93 -19.402 -0.273 -2.709 1.00 0.00 C ATOM 1530 CD GLU A 93 -19.387 0.504 -4.027 1.00 0.00 C ATOM 1531 OE1 GLU A 93 -20.456 0.862 -4.493 1.00 0.00 O ATOM 1532 OE2 GLU A 93 -18.306 0.730 -4.546 1.00 0.00 O ATOM 0 H GLU A 93 -18.923 -0.485 0.199 1.00 0.00 H new ATOM 0 HA GLU A 93 -18.791 2.048 -1.403 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -20.814 -0.240 -1.072 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -20.999 1.091 -2.197 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -18.386 -0.388 -2.331 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -19.797 -1.276 -2.870 1.00 0.00 H new ATOM 1539 N GLY A 94 -19.979 1.986 1.454 1.00 0.00 N ATOM 1540 CA GLY A 94 -20.746 2.765 2.465 1.00 0.00 C ATOM 1541 C GLY A 94 -19.777 3.610 3.293 1.00 0.00 C ATOM 1542 O GLY A 94 -20.167 4.554 3.951 1.00 0.00 O ATOM 0 H GLY A 94 -19.301 1.327 1.838 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -21.475 3.407 1.970 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -21.304 2.090 3.114 1.00 0.00 H new ATOM 1546 N LEU A 95 -18.515 3.277 3.264 1.00 0.00 N ATOM 1547 CA LEU A 95 -17.516 4.059 4.048 1.00 0.00 C ATOM 1548 C LEU A 95 -17.573 5.538 3.653 1.00 0.00 C ATOM 1549 O LEU A 95 -17.363 6.416 4.466 1.00 0.00 O ATOM 1550 CB LEU A 95 -16.161 3.455 3.674 1.00 0.00 C ATOM 1551 CG LEU A 95 -15.550 2.766 4.896 1.00 0.00 C ATOM 1552 CD1 LEU A 95 -16.605 1.891 5.575 1.00 0.00 C ATOM 1553 CD2 LEU A 95 -14.375 1.890 4.450 1.00 0.00 C ATOM 0 H LEU A 95 -18.132 2.496 2.731 1.00 0.00 H new ATOM 0 HA LEU A 95 -17.702 4.011 5.121 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -16.283 2.737 2.863 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -15.492 4.235 3.311 1.00 0.00 H new ATOM 0 HG LEU A 95 -15.199 3.521 5.599 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -16.167 1.402 6.445 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -17.443 2.511 5.892 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -16.958 1.135 4.873 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -13.938 1.398 5.319 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -14.729 1.137 3.746 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -13.621 2.511 3.967 1.00 0.00 H new ATOM 1565 N ILE A 96 -17.855 5.819 2.411 1.00 0.00 N ATOM 1566 CA ILE A 96 -17.924 7.240 1.964 1.00 0.00 C ATOM 1567 C ILE A 96 -18.984 7.997 2.769 1.00 0.00 C ATOM 1568 O ILE A 96 -18.701 9.108 3.186 1.00 0.00 O ATOM 1569 CB ILE A 96 -18.318 7.170 0.489 1.00 0.00 C ATOM 1570 CG1 ILE A 96 -17.319 6.287 -0.262 1.00 0.00 C ATOM 1571 CG2 ILE A 96 -18.303 8.577 -0.111 1.00 0.00 C ATOM 1572 CD1 ILE A 96 -18.077 5.328 -1.183 1.00 0.00 C ATOM 1573 OXT ILE A 96 -20.059 7.452 2.955 1.00 0.00 O ATOM 0 H ILE A 96 -18.041 5.126 1.686 1.00 0.00 H new ATOM 0 HA ILE A 96 -16.981 7.766 2.110 1.00 0.00 H new ATOM 0 HB ILE A 96 -19.319 6.747 0.400 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -16.637 6.906 -0.846 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -16.711 5.724 0.446 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -18.584 8.527 -1.163 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -19.012 9.208 0.424 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -17.302 9.000 -0.023 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -17.366 4.699 -1.718 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -18.741 4.700 -0.588 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -18.665 5.901 -1.900 1.00 0.00 H new