USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 564 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 4 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0625) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.316 X(o=-0.32,f=-0.11) USER MOD Single : A 11 SER OG : rot 92:sc= 0.0457 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.557 K(o=-0.56,f=-6.9!) USER MOD Single : A 27 LYS NZ :NH3+ -170:sc= -0.0166 (180deg=-0.2) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 47:sc= 1.13 USER MOD Single : A 40 TYR OH : rot 30:sc= -0.372 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.0072) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 THR OG1 : rot 87:sc= 0.977 USER MOD Single : A 59 SER OG : rot 180:sc= 0.676 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc=-0.00743 X(o=-0.0074,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl -141:sc= -1.72 (180deg=-5.37!) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot -48:sc= 0.977 USER MOD ----------------------------------------------------------------- ATOM 97 N LYS A 4 6.724 2.953 -0.713 1.00 0.00 N ATOM 98 CA LYS A 4 5.371 2.786 -0.193 1.00 0.00 C ATOM 99 C LYS A 4 4.640 1.668 -0.930 1.00 0.00 C ATOM 100 O LYS A 4 5.088 1.206 -1.980 1.00 0.00 O ATOM 101 CB LYS A 4 4.588 4.095 -0.325 1.00 0.00 C ATOM 102 CG LYS A 4 5.158 5.231 0.507 1.00 0.00 C ATOM 103 CD LYS A 4 4.419 6.534 0.252 1.00 0.00 C ATOM 104 CE LYS A 4 5.177 7.725 0.819 1.00 0.00 C ATOM 105 NZ LYS A 4 4.323 8.942 0.893 1.00 0.00 N ATOM 0 HA LYS A 4 5.443 2.517 0.861 1.00 0.00 H new ATOM 0 HB2 LYS A 4 4.573 4.395 -1.373 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.554 3.922 -0.028 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.094 4.976 1.565 1.00 0.00 H new ATOM 0 HG3 LYS A 4 6.215 5.359 0.274 1.00 0.00 H new ATOM 0 HD2 LYS A 4 4.277 6.669 -0.820 1.00 0.00 H new ATOM 0 HD3 LYS A 4 3.427 6.485 0.702 1.00 0.00 H new ATOM 0 HE2 LYS A 4 5.546 7.480 1.815 1.00 0.00 H new ATOM 0 HE3 LYS A 4 6.048 7.930 0.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 4.905 9.758 1.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 3.895 9.123 -0.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 3.572 8.796 1.597 1.00 0.00 H new ATOM 119 N LEU A 5 3.513 1.239 -0.374 1.00 0.00 N ATOM 120 CA LEU A 5 2.718 0.175 -0.979 1.00 0.00 C ATOM 121 C LEU A 5 1.400 0.720 -1.518 1.00 0.00 C ATOM 122 O LEU A 5 0.791 1.606 -0.919 1.00 0.00 O ATOM 123 CB LEU A 5 2.446 -0.930 0.044 1.00 0.00 C ATOM 124 CG LEU A 5 3.609 -1.289 0.970 1.00 0.00 C ATOM 125 CD1 LEU A 5 3.113 -2.090 2.163 1.00 0.00 C ATOM 126 CD2 LEU A 5 4.675 -2.065 0.209 1.00 0.00 C ATOM 0 H LEU A 5 3.129 1.611 0.494 1.00 0.00 H new ATOM 0 HA LEU A 5 3.286 -0.241 -1.811 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.598 -0.628 0.659 1.00 0.00 H new ATOM 0 HB3 LEU A 5 2.145 -1.829 -0.494 1.00 0.00 H new ATOM 0 HG LEU A 5 4.054 -0.365 1.339 1.00 0.00 H new ATOM 0 HD11 LEU A 5 3.954 -2.337 2.811 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.386 -1.500 2.721 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.642 -3.009 1.814 1.00 0.00 H new ATOM 0 HD21 LEU A 5 5.495 -2.313 0.883 1.00 0.00 H new ATOM 0 HD22 LEU A 5 4.242 -2.983 -0.189 1.00 0.00 H new ATOM 0 HD23 LEU A 5 5.052 -1.456 -0.613 1.00 0.00 H new ATOM 138 N TYR A 6 0.965 0.183 -2.653 1.00 0.00 N ATOM 139 CA TYR A 6 -0.282 0.616 -3.274 1.00 0.00 C ATOM 140 C TYR A 6 -1.438 -0.291 -2.865 1.00 0.00 C ATOM 141 O TYR A 6 -1.363 -1.513 -3.004 1.00 0.00 O ATOM 142 CB TYR A 6 -0.140 0.626 -4.797 1.00 0.00 C ATOM 143 CG TYR A 6 -1.445 0.398 -5.528 1.00 0.00 C ATOM 144 CD1 TYR A 6 -2.498 1.294 -5.404 1.00 0.00 C ATOM 145 CD2 TYR A 6 -1.622 -0.714 -6.341 1.00 0.00 C ATOM 146 CE1 TYR A 6 -3.693 1.090 -6.070 1.00 0.00 C ATOM 147 CE2 TYR A 6 -2.812 -0.927 -7.011 1.00 0.00 C ATOM 148 CZ TYR A 6 -3.844 -0.022 -6.872 1.00 0.00 C ATOM 149 OH TYR A 6 -5.031 -0.229 -7.537 1.00 0.00 O ATOM 0 H TYR A 6 1.457 -0.552 -3.161 1.00 0.00 H new ATOM 0 HA TYR A 6 -0.499 1.627 -2.929 1.00 0.00 H new ATOM 0 HB2 TYR A 6 0.279 1.583 -5.108 1.00 0.00 H new ATOM 0 HB3 TYR A 6 0.572 -0.145 -5.092 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -2.382 2.165 -4.777 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -0.816 -1.424 -6.452 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -4.503 1.797 -5.963 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -2.933 -1.797 -7.640 1.00 0.00 H new ATOM 0 HH TYR A 6 -4.973 -1.056 -8.059 1.00 0.00 H new ATOM 159 N ILE A 7 -2.507 0.315 -2.360 1.00 0.00 N ATOM 160 CA ILE A 7 -3.680 -0.437 -1.933 1.00 0.00 C ATOM 161 C ILE A 7 -4.868 -0.175 -2.853 1.00 0.00 C ATOM 162 O ILE A 7 -5.307 0.964 -3.007 1.00 0.00 O ATOM 163 CB ILE A 7 -4.078 -0.085 -0.486 1.00 0.00 C ATOM 164 CG1 ILE A 7 -2.834 0.019 0.396 1.00 0.00 C ATOM 165 CG2 ILE A 7 -5.041 -1.126 0.066 1.00 0.00 C ATOM 166 CD1 ILE A 7 -3.138 0.413 1.825 1.00 0.00 C ATOM 0 H ILE A 7 -2.585 1.325 -2.237 1.00 0.00 H new ATOM 0 HA ILE A 7 -3.412 -1.493 -1.982 1.00 0.00 H new ATOM 0 HB ILE A 7 -4.581 0.882 -0.487 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.316 -0.940 0.394 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.152 0.751 -0.037 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -5.313 -0.864 1.088 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -5.938 -1.155 -0.552 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.562 -2.105 0.058 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.209 0.467 2.393 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.629 1.386 1.838 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.795 -0.331 2.275 1.00 0.00 H new ATOM 178 N GLY A 8 -5.383 -1.238 -3.463 1.00 0.00 N ATOM 179 CA GLY A 8 -6.516 -1.102 -4.360 1.00 0.00 C ATOM 180 C GLY A 8 -7.741 -1.843 -3.862 1.00 0.00 C ATOM 181 O GLY A 8 -7.658 -2.636 -2.925 1.00 0.00 O ATOM 0 H GLY A 8 -5.036 -2.191 -3.352 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -6.757 -0.046 -4.478 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -6.243 -1.479 -5.346 1.00 0.00 H new ATOM 185 N ASN A 9 -8.884 -1.583 -4.491 1.00 0.00 N ATOM 186 CA ASN A 9 -10.132 -2.231 -4.104 1.00 0.00 C ATOM 187 C ASN A 9 -10.661 -1.655 -2.794 1.00 0.00 C ATOM 188 O ASN A 9 -11.234 -2.374 -1.974 1.00 0.00 O ATOM 189 CB ASN A 9 -9.926 -3.740 -3.967 1.00 0.00 C ATOM 190 CG ASN A 9 -11.197 -4.524 -4.236 1.00 0.00 C ATOM 191 OD1 ASN A 9 -11.414 -5.016 -5.343 1.00 0.00 O ATOM 192 ND2 ASN A 9 -12.044 -4.644 -3.220 1.00 0.00 N ATOM 0 H ASN A 9 -8.971 -0.929 -5.269 1.00 0.00 H new ATOM 0 HA ASN A 9 -10.868 -2.042 -4.885 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -9.150 -4.062 -4.661 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -9.569 -3.965 -2.962 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -12.915 -5.161 -3.341 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -11.823 -4.220 -2.319 1.00 0.00 H new ATOM 199 N LEU A 10 -10.464 -0.356 -2.603 1.00 0.00 N ATOM 200 CA LEU A 10 -10.921 0.316 -1.392 1.00 0.00 C ATOM 201 C LEU A 10 -12.256 1.015 -1.628 1.00 0.00 C ATOM 202 O LEU A 10 -12.361 1.908 -2.468 1.00 0.00 O ATOM 203 CB LEU A 10 -9.877 1.333 -0.925 1.00 0.00 C ATOM 204 CG LEU A 10 -8.538 0.757 -0.464 1.00 0.00 C ATOM 205 CD1 LEU A 10 -7.548 1.874 -0.171 1.00 0.00 C ATOM 206 CD2 LEU A 10 -8.730 -0.123 0.763 1.00 0.00 C ATOM 0 H LEU A 10 -9.991 0.253 -3.271 1.00 0.00 H new ATOM 0 HA LEU A 10 -11.058 -0.438 -0.617 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.688 2.030 -1.741 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -10.303 1.910 -0.105 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.133 0.142 -1.268 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.601 1.444 0.156 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.387 2.463 -1.074 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.946 2.516 0.615 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -7.767 -0.524 1.077 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -9.158 0.469 1.572 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -9.403 -0.945 0.520 1.00 0.00 H new ATOM 218 N SER A 11 -13.274 0.601 -0.879 1.00 0.00 N ATOM 219 CA SER A 11 -14.604 1.185 -1.007 1.00 0.00 C ATOM 220 C SER A 11 -14.550 2.701 -0.844 1.00 0.00 C ATOM 221 O SER A 11 -13.702 3.244 -0.136 1.00 0.00 O ATOM 222 CB SER A 11 -15.551 0.582 0.031 1.00 0.00 C ATOM 223 OG SER A 11 -15.226 -0.773 0.293 1.00 0.00 O ATOM 0 H SER A 11 -13.203 -0.136 -0.178 1.00 0.00 H new ATOM 0 HA SER A 11 -14.979 0.958 -2.005 1.00 0.00 H new ATOM 0 HB2 SER A 11 -15.496 1.157 0.955 1.00 0.00 H new ATOM 0 HB3 SER A 11 -16.578 0.650 -0.327 1.00 0.00 H new ATOM 0 HG SER A 11 -14.604 -0.820 1.049 1.00 0.00 H new ATOM 229 N PRO A 12 -15.476 3.400 -1.516 1.00 0.00 N ATOM 230 CA PRO A 12 -15.556 4.863 -1.462 1.00 0.00 C ATOM 231 C PRO A 12 -16.021 5.369 -0.100 1.00 0.00 C ATOM 232 O PRO A 12 -16.063 6.574 0.143 1.00 0.00 O ATOM 233 CB PRO A 12 -16.590 5.202 -2.539 1.00 0.00 C ATOM 234 CG PRO A 12 -17.433 3.978 -2.653 1.00 0.00 C ATOM 235 CD PRO A 12 -16.517 2.818 -2.379 1.00 0.00 C ATOM 0 HA PRO A 12 -14.584 5.330 -1.622 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -17.187 6.069 -2.256 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -16.110 5.442 -3.488 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -18.256 4.003 -1.939 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -17.875 3.900 -3.646 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -17.041 2.002 -1.882 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -16.096 2.413 -3.299 1.00 0.00 H new ATOM 243 N ALA A 13 -16.366 4.439 0.784 1.00 0.00 N ATOM 244 CA ALA A 13 -16.825 4.790 2.122 1.00 0.00 C ATOM 245 C ALA A 13 -15.695 4.670 3.139 1.00 0.00 C ATOM 246 O ALA A 13 -15.764 5.236 4.230 1.00 0.00 O ATOM 247 CB ALA A 13 -17.998 3.910 2.527 1.00 0.00 C ATOM 0 H ALA A 13 -16.336 3.437 0.598 1.00 0.00 H new ATOM 0 HA ALA A 13 -17.155 5.829 2.105 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -18.330 4.184 3.529 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -18.818 4.050 1.822 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -17.688 2.865 2.521 1.00 0.00 H new ATOM 253 N VAL A 14 -14.654 3.927 2.775 1.00 0.00 N ATOM 254 CA VAL A 14 -13.509 3.732 3.656 1.00 0.00 C ATOM 255 C VAL A 14 -12.860 5.063 4.017 1.00 0.00 C ATOM 256 O VAL A 14 -12.799 5.981 3.196 1.00 0.00 O ATOM 257 CB VAL A 14 -12.452 2.817 3.008 1.00 0.00 C ATOM 258 CG1 VAL A 14 -11.220 2.714 3.894 1.00 0.00 C ATOM 259 CG2 VAL A 14 -13.037 1.441 2.730 1.00 0.00 C ATOM 0 H VAL A 14 -14.580 3.451 1.876 1.00 0.00 H new ATOM 0 HA VAL A 14 -13.884 3.257 4.562 1.00 0.00 H new ATOM 0 HB VAL A 14 -12.150 3.256 2.057 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -10.484 2.064 3.420 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -10.790 3.705 4.036 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -11.501 2.299 4.862 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -12.277 0.808 2.272 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -13.369 0.991 3.666 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -13.885 1.536 2.052 1.00 0.00 H new ATOM 269 N THR A 15 -12.374 5.165 5.250 1.00 0.00 N ATOM 270 CA THR A 15 -11.730 6.384 5.721 1.00 0.00 C ATOM 271 C THR A 15 -10.327 6.098 6.244 1.00 0.00 C ATOM 272 O THR A 15 -9.995 4.957 6.564 1.00 0.00 O ATOM 273 CB THR A 15 -12.553 7.061 6.833 1.00 0.00 C ATOM 274 OG1 THR A 15 -12.999 6.081 7.778 1.00 0.00 O ATOM 275 CG2 THR A 15 -13.752 7.793 6.250 1.00 0.00 C ATOM 0 H THR A 15 -12.415 4.416 5.941 1.00 0.00 H new ATOM 0 HA THR A 15 -11.665 7.058 4.867 1.00 0.00 H new ATOM 0 HB THR A 15 -11.914 7.787 7.337 1.00 0.00 H new ATOM 0 HG1 THR A 15 -13.520 6.519 8.483 1.00 0.00 H new ATOM 0 HG21 THR A 15 -14.318 8.263 7.054 1.00 0.00 H new ATOM 0 HG22 THR A 15 -13.408 8.558 5.553 1.00 0.00 H new ATOM 0 HG23 THR A 15 -14.391 7.084 5.724 1.00 0.00 H new ATOM 283 N ALA A 16 -9.509 7.142 6.332 1.00 0.00 N ATOM 284 CA ALA A 16 -8.143 7.003 6.819 1.00 0.00 C ATOM 285 C ALA A 16 -8.117 6.374 8.208 1.00 0.00 C ATOM 286 O ALA A 16 -7.244 5.564 8.518 1.00 0.00 O ATOM 287 CB ALA A 16 -7.448 8.356 6.837 1.00 0.00 C ATOM 0 H ALA A 16 -9.769 8.093 6.072 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.607 6.341 6.139 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.428 8.236 7.203 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -7.425 8.767 5.828 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -7.992 9.036 7.493 1.00 0.00 H new ATOM 293 N ASP A 17 -9.079 6.754 9.042 1.00 0.00 N ATOM 294 CA ASP A 17 -9.168 6.227 10.399 1.00 0.00 C ATOM 295 C ASP A 17 -9.311 4.709 10.385 1.00 0.00 C ATOM 296 O ASP A 17 -8.687 4.009 11.182 1.00 0.00 O ATOM 297 CB ASP A 17 -10.349 6.857 11.138 1.00 0.00 C ATOM 298 CG ASP A 17 -10.071 8.285 11.566 1.00 0.00 C ATOM 299 OD1 ASP A 17 -9.182 8.485 12.419 1.00 0.00 O ATOM 300 OD2 ASP A 17 -10.743 9.202 11.048 1.00 0.00 O ATOM 0 H ASP A 17 -9.808 7.425 8.802 1.00 0.00 H new ATOM 0 HA ASP A 17 -8.246 6.481 10.922 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -11.228 6.839 10.494 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -10.585 6.257 12.017 1.00 0.00 H new ATOM 305 N ASP A 18 -10.138 4.207 9.473 1.00 0.00 N ATOM 306 CA ASP A 18 -10.364 2.771 9.356 1.00 0.00 C ATOM 307 C ASP A 18 -9.101 2.059 8.882 1.00 0.00 C ATOM 308 O ASP A 18 -8.791 0.956 9.331 1.00 0.00 O ATOM 309 CB ASP A 18 -11.515 2.493 8.387 1.00 0.00 C ATOM 310 CG ASP A 18 -12.865 2.495 9.077 1.00 0.00 C ATOM 311 OD1 ASP A 18 -13.005 3.189 10.106 1.00 0.00 O ATOM 312 OD2 ASP A 18 -13.782 1.805 8.587 1.00 0.00 O ATOM 0 H ASP A 18 -10.662 4.773 8.805 1.00 0.00 H new ATOM 0 HA ASP A 18 -10.627 2.387 10.342 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -11.512 3.245 7.598 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -11.357 1.527 7.907 1.00 0.00 H new ATOM 317 N LEU A 19 -8.376 2.697 7.968 1.00 0.00 N ATOM 318 CA LEU A 19 -7.146 2.125 7.432 1.00 0.00 C ATOM 319 C LEU A 19 -6.094 1.971 8.526 1.00 0.00 C ATOM 320 O LEU A 19 -5.470 0.918 8.657 1.00 0.00 O ATOM 321 CB LEU A 19 -6.601 3.004 6.304 1.00 0.00 C ATOM 322 CG LEU A 19 -7.050 2.635 4.890 1.00 0.00 C ATOM 323 CD1 LEU A 19 -6.341 3.504 3.862 1.00 0.00 C ATOM 324 CD2 LEU A 19 -6.790 1.161 4.615 1.00 0.00 C ATOM 0 H LEU A 19 -8.619 3.610 7.583 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.377 1.136 7.035 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.895 4.035 6.500 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.512 2.971 6.338 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.122 2.815 4.811 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.673 3.228 2.861 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.578 4.552 4.046 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.264 3.356 3.941 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.116 0.916 3.604 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.724 0.955 4.712 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.344 0.554 5.331 1.00 0.00 H new ATOM 336 N ARG A 20 -5.905 3.027 9.310 1.00 0.00 N ATOM 337 CA ARG A 20 -4.930 3.009 10.394 1.00 0.00 C ATOM 338 C ARG A 20 -5.314 1.982 11.454 1.00 0.00 C ATOM 339 O ARG A 20 -4.470 1.222 11.929 1.00 0.00 O ATOM 340 CB ARG A 20 -4.817 4.397 11.030 1.00 0.00 C ATOM 341 CG ARG A 20 -6.151 4.972 11.477 1.00 0.00 C ATOM 342 CD ARG A 20 -5.982 6.347 12.104 1.00 0.00 C ATOM 343 NE ARG A 20 -4.892 6.376 13.075 1.00 0.00 N ATOM 344 CZ ARG A 20 -4.951 5.785 14.263 1.00 0.00 C ATOM 345 NH1 ARG A 20 -6.041 5.122 14.624 1.00 0.00 N ATOM 346 NH2 ARG A 20 -3.918 5.856 15.093 1.00 0.00 N ATOM 0 H ARG A 20 -6.414 3.906 9.215 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.964 2.729 9.975 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.149 4.340 11.889 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -4.358 5.079 10.314 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.824 5.041 10.622 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.617 4.298 12.196 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.790 7.081 11.321 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -6.911 6.639 12.593 1.00 0.00 H new ATOM 0 HE ARG A 20 -4.039 6.877 12.828 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.837 5.065 13.989 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.084 4.669 15.537 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -3.078 6.365 14.819 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -3.964 5.402 16.005 1.00 0.00 H new ATOM 360 N GLN A 21 -6.592 1.964 11.819 1.00 0.00 N ATOM 361 CA GLN A 21 -7.087 1.031 12.824 1.00 0.00 C ATOM 362 C GLN A 21 -6.995 -0.406 12.322 1.00 0.00 C ATOM 363 O GLN A 21 -6.772 -1.334 13.102 1.00 0.00 O ATOM 364 CB GLN A 21 -8.533 1.364 13.192 1.00 0.00 C ATOM 365 CG GLN A 21 -8.667 2.588 14.084 1.00 0.00 C ATOM 366 CD GLN A 21 -7.986 2.409 15.427 1.00 0.00 C ATOM 367 OE1 GLN A 21 -6.873 2.890 15.640 1.00 0.00 O ATOM 368 NE2 GLN A 21 -8.653 1.715 16.341 1.00 0.00 N ATOM 0 H GLN A 21 -7.303 2.585 11.434 1.00 0.00 H new ATOM 0 HA GLN A 21 -6.463 1.128 13.713 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -9.104 1.527 12.278 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -8.978 0.506 13.697 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -8.238 3.452 13.576 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -9.724 2.803 14.243 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -9.573 1.334 16.121 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -8.245 1.562 17.263 1.00 0.00 H new ATOM 377 N LEU A 22 -7.171 -0.585 11.018 1.00 0.00 N ATOM 378 CA LEU A 22 -7.109 -1.911 10.412 1.00 0.00 C ATOM 379 C LEU A 22 -5.713 -2.510 10.553 1.00 0.00 C ATOM 380 O LEU A 22 -5.557 -3.652 10.985 1.00 0.00 O ATOM 381 CB LEU A 22 -7.497 -1.836 8.934 1.00 0.00 C ATOM 382 CG LEU A 22 -7.717 -3.175 8.230 1.00 0.00 C ATOM 383 CD1 LEU A 22 -8.997 -3.835 8.723 1.00 0.00 C ATOM 384 CD2 LEU A 22 -7.761 -2.983 6.721 1.00 0.00 C ATOM 0 H LEU A 22 -7.358 0.171 10.359 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.815 -2.556 10.935 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.411 -1.249 8.848 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.717 -1.292 8.401 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.880 -3.831 8.469 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.136 -4.787 8.210 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.927 -4.008 9.797 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.846 -3.183 8.515 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.918 -3.946 6.236 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.578 -2.309 6.464 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.818 -2.555 6.381 1.00 0.00 H new ATOM 396 N PHE A 23 -4.701 -1.730 10.188 1.00 0.00 N ATOM 397 CA PHE A 23 -3.317 -2.183 10.274 1.00 0.00 C ATOM 398 C PHE A 23 -2.922 -2.447 11.725 1.00 0.00 C ATOM 399 O PHE A 23 -2.271 -3.446 12.029 1.00 0.00 O ATOM 400 CB PHE A 23 -2.379 -1.141 9.661 1.00 0.00 C ATOM 401 CG PHE A 23 -2.169 -1.320 8.184 1.00 0.00 C ATOM 402 CD1 PHE A 23 -3.198 -1.069 7.290 1.00 0.00 C ATOM 403 CD2 PHE A 23 -0.945 -1.739 7.690 1.00 0.00 C ATOM 404 CE1 PHE A 23 -3.009 -1.232 5.931 1.00 0.00 C ATOM 405 CE2 PHE A 23 -0.750 -1.904 6.332 1.00 0.00 C ATOM 406 CZ PHE A 23 -1.783 -1.650 5.450 1.00 0.00 C ATOM 0 H PHE A 23 -4.813 -0.781 9.830 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.229 -3.115 9.715 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -2.784 -0.146 9.845 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -1.414 -1.190 10.166 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -4.159 -0.742 7.660 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -0.134 -1.939 8.374 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -3.819 -1.033 5.245 1.00 0.00 H new ATOM 0 HE2 PHE A 23 0.210 -2.231 5.960 1.00 0.00 H new ATOM 0 HZ PHE A 23 -1.633 -1.778 4.388 1.00 0.00 H new ATOM 416 N GLY A 24 -3.321 -1.545 12.616 1.00 0.00 N ATOM 417 CA GLY A 24 -2.999 -1.698 14.022 1.00 0.00 C ATOM 418 C GLY A 24 -3.733 -2.859 14.662 1.00 0.00 C ATOM 419 O GLY A 24 -3.203 -3.522 15.553 1.00 0.00 O ATOM 0 H GLY A 24 -3.862 -0.711 12.389 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.925 -1.847 14.131 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.249 -0.778 14.551 1.00 0.00 H new ATOM 423 N ASP A 25 -4.956 -3.106 14.207 1.00 0.00 N ATOM 424 CA ASP A 25 -5.766 -4.196 14.741 1.00 0.00 C ATOM 425 C ASP A 25 -5.116 -5.546 14.454 1.00 0.00 C ATOM 426 O ASP A 25 -5.358 -6.524 15.161 1.00 0.00 O ATOM 427 CB ASP A 25 -7.173 -4.155 14.143 1.00 0.00 C ATOM 428 CG ASP A 25 -8.144 -5.050 14.887 1.00 0.00 C ATOM 429 OD1 ASP A 25 -8.059 -5.112 16.131 1.00 0.00 O ATOM 430 OD2 ASP A 25 -8.989 -5.689 14.225 1.00 0.00 O ATOM 0 H ASP A 25 -5.409 -2.566 13.469 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.836 -4.069 15.821 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -7.542 -3.130 14.160 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -7.129 -4.461 13.098 1.00 0.00 H new ATOM 435 N ARG A 26 -4.294 -5.592 13.412 1.00 0.00 N ATOM 436 CA ARG A 26 -3.611 -6.822 13.029 1.00 0.00 C ATOM 437 C ARG A 26 -2.198 -6.860 13.603 1.00 0.00 C ATOM 438 O ARG A 26 -1.343 -7.609 13.129 1.00 0.00 O ATOM 439 CB ARG A 26 -3.559 -6.949 11.506 1.00 0.00 C ATOM 440 CG ARG A 26 -4.770 -7.648 10.911 1.00 0.00 C ATOM 441 CD ARG A 26 -4.674 -9.158 11.067 1.00 0.00 C ATOM 442 NE ARG A 26 -5.102 -9.601 12.391 1.00 0.00 N ATOM 443 CZ ARG A 26 -4.950 -10.844 12.835 1.00 0.00 C ATOM 444 NH1 ARG A 26 -4.383 -11.762 12.064 1.00 0.00 N ATOM 445 NH2 ARG A 26 -5.364 -11.169 14.053 1.00 0.00 N ATOM 0 H ARG A 26 -4.084 -4.791 12.817 1.00 0.00 H new ATOM 0 HA ARG A 26 -4.173 -7.662 13.437 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -3.474 -5.954 11.070 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -2.660 -7.498 11.226 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -5.676 -7.288 11.399 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -4.855 -7.395 9.854 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -5.289 -9.640 10.307 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -3.646 -9.475 10.894 1.00 0.00 H new ATOM 0 HE ARG A 26 -5.542 -8.919 13.009 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -4.062 -11.514 11.128 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -4.267 -12.716 12.407 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -5.799 -10.465 14.649 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -5.247 -12.123 14.394 1.00 0.00 H new ATOM 459 N LYS A 27 -1.957 -6.048 14.627 1.00 0.00 N ATOM 460 CA LYS A 27 -0.649 -5.988 15.266 1.00 0.00 C ATOM 461 C LYS A 27 0.416 -5.514 14.283 1.00 0.00 C ATOM 462 O LYS A 27 1.553 -5.986 14.308 1.00 0.00 O ATOM 463 CB LYS A 27 -0.268 -7.362 15.824 1.00 0.00 C ATOM 464 CG LYS A 27 -0.830 -7.632 17.209 1.00 0.00 C ATOM 465 CD LYS A 27 -0.097 -6.835 18.274 1.00 0.00 C ATOM 466 CE LYS A 27 -0.590 -7.184 19.670 1.00 0.00 C ATOM 467 NZ LYS A 27 -2.053 -6.948 19.817 1.00 0.00 N ATOM 0 H LYS A 27 -2.652 -5.421 15.032 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.705 -5.272 16.086 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.622 -8.134 15.140 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.818 -7.442 15.860 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.890 -7.378 17.228 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.753 -8.696 17.433 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.973 -7.032 18.205 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.237 -5.769 18.093 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.368 -8.230 19.883 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.050 -6.587 20.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -2.320 -7.034 20.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.287 -5.993 19.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.576 -7.652 19.258 1.00 0.00 H new ATOM 481 N LEU A 28 0.042 -4.578 13.419 1.00 0.00 N ATOM 482 CA LEU A 28 0.966 -4.038 12.427 1.00 0.00 C ATOM 483 C LEU A 28 0.869 -2.517 12.363 1.00 0.00 C ATOM 484 O LEU A 28 0.216 -1.948 11.489 1.00 0.00 O ATOM 485 CB LEU A 28 0.675 -4.637 11.050 1.00 0.00 C ATOM 486 CG LEU A 28 0.711 -6.163 10.962 1.00 0.00 C ATOM 487 CD1 LEU A 28 -0.245 -6.657 9.887 1.00 0.00 C ATOM 488 CD2 LEU A 28 2.126 -6.649 10.683 1.00 0.00 C ATOM 0 H LEU A 28 -0.895 -4.176 13.385 1.00 0.00 H new ATOM 0 HA LEU A 28 1.979 -4.307 12.727 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.310 -4.297 10.729 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.398 -4.235 10.340 1.00 0.00 H new ATOM 0 HG LEU A 28 0.391 -6.571 11.921 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.207 -7.745 9.838 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.260 -6.340 10.129 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.045 -6.240 8.923 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.132 -7.737 10.624 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.474 -6.232 9.738 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.787 -6.326 11.487 1.00 0.00 H new ATOM 500 N PRO A 29 1.536 -1.840 13.311 1.00 0.00 N ATOM 501 CA PRO A 29 1.542 -0.376 13.382 1.00 0.00 C ATOM 502 C PRO A 29 2.329 0.256 12.238 1.00 0.00 C ATOM 503 O PRO A 29 3.448 -0.160 11.936 1.00 0.00 O ATOM 504 CB PRO A 29 2.224 -0.089 14.721 1.00 0.00 C ATOM 505 CG PRO A 29 3.074 -1.286 14.979 1.00 0.00 C ATOM 506 CD PRO A 29 2.335 -2.453 14.385 1.00 0.00 C ATOM 0 HA PRO A 29 0.538 0.040 13.301 1.00 0.00 H new ATOM 0 HB2 PRO A 29 2.824 0.820 14.673 1.00 0.00 H new ATOM 0 HB3 PRO A 29 1.492 0.055 15.515 1.00 0.00 H new ATOM 0 HG2 PRO A 29 4.057 -1.173 14.522 1.00 0.00 H new ATOM 0 HG3 PRO A 29 3.234 -1.428 16.048 1.00 0.00 H new ATOM 0 HD2 PRO A 29 3.020 -3.207 13.996 1.00 0.00 H new ATOM 0 HD3 PRO A 29 1.704 -2.947 15.124 1.00 0.00 H new ATOM 514 N LEU A 30 1.737 1.263 11.606 1.00 0.00 N ATOM 515 CA LEU A 30 2.382 1.955 10.495 1.00 0.00 C ATOM 516 C LEU A 30 3.479 2.888 10.998 1.00 0.00 C ATOM 517 O LEU A 30 3.204 3.870 11.687 1.00 0.00 O ATOM 518 CB LEU A 30 1.349 2.749 9.693 1.00 0.00 C ATOM 519 CG LEU A 30 0.238 1.931 9.036 1.00 0.00 C ATOM 520 CD1 LEU A 30 -1.015 2.776 8.860 1.00 0.00 C ATOM 521 CD2 LEU A 30 0.702 1.378 7.697 1.00 0.00 C ATOM 0 H LEU A 30 0.811 1.619 11.844 1.00 0.00 H new ATOM 0 HA LEU A 30 2.837 1.205 9.847 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.890 3.483 10.356 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.872 3.305 8.915 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.003 1.092 9.689 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.795 2.177 8.391 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.360 3.122 9.834 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.789 3.635 8.229 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.102 0.798 7.244 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.971 2.202 7.037 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.570 0.737 7.849 1.00 0.00 H new ATOM 533 N ALA A 31 4.722 2.575 10.647 1.00 0.00 N ATOM 534 CA ALA A 31 5.859 3.388 11.059 1.00 0.00 C ATOM 535 C ALA A 31 6.226 4.405 9.983 1.00 0.00 C ATOM 536 O ALA A 31 7.398 4.725 9.791 1.00 0.00 O ATOM 537 CB ALA A 31 7.054 2.501 11.378 1.00 0.00 C ATOM 0 H ALA A 31 4.967 1.764 10.078 1.00 0.00 H new ATOM 0 HA ALA A 31 5.576 3.935 11.958 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.896 3.121 11.684 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.794 1.817 12.186 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.329 1.928 10.492 1.00 0.00 H new ATOM 543 N GLY A 32 5.215 4.909 9.283 1.00 0.00 N ATOM 544 CA GLY A 32 5.451 5.884 8.234 1.00 0.00 C ATOM 545 C GLY A 32 4.253 6.781 7.995 1.00 0.00 C ATOM 546 O GLY A 32 3.474 7.043 8.911 1.00 0.00 O ATOM 0 H GLY A 32 4.236 4.660 9.423 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.312 6.497 8.499 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.702 5.364 7.309 1.00 0.00 H new ATOM 550 N GLN A 33 4.107 7.254 6.761 1.00 0.00 N ATOM 551 CA GLN A 33 2.995 8.128 6.406 1.00 0.00 C ATOM 552 C GLN A 33 1.894 7.347 5.697 1.00 0.00 C ATOM 553 O GLN A 33 2.148 6.309 5.086 1.00 0.00 O ATOM 554 CB GLN A 33 3.484 9.270 5.513 1.00 0.00 C ATOM 555 CG GLN A 33 2.676 10.549 5.664 1.00 0.00 C ATOM 556 CD GLN A 33 3.017 11.583 4.609 1.00 0.00 C ATOM 557 OE1 GLN A 33 2.237 11.828 3.689 1.00 0.00 O ATOM 558 NE2 GLN A 33 4.189 12.195 4.737 1.00 0.00 N ATOM 0 H GLN A 33 4.744 7.047 5.992 1.00 0.00 H new ATOM 0 HA GLN A 33 2.584 8.545 7.325 1.00 0.00 H new ATOM 0 HB2 GLN A 33 4.528 9.480 5.745 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.447 8.948 4.472 1.00 0.00 H new ATOM 0 HG2 GLN A 33 1.614 10.312 5.605 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.854 10.972 6.653 1.00 0.00 H new ATOM 0 HE21 GLN A 33 4.804 11.960 5.516 1.00 0.00 H new ATOM 0 HE22 GLN A 33 4.473 12.900 4.056 1.00 0.00 H new ATOM 567 N VAL A 34 0.668 7.854 5.783 1.00 0.00 N ATOM 568 CA VAL A 34 -0.474 7.205 5.149 1.00 0.00 C ATOM 569 C VAL A 34 -1.164 8.144 4.166 1.00 0.00 C ATOM 570 O VAL A 34 -1.369 9.323 4.456 1.00 0.00 O ATOM 571 CB VAL A 34 -1.500 6.730 6.195 1.00 0.00 C ATOM 572 CG1 VAL A 34 -2.645 5.988 5.520 1.00 0.00 C ATOM 573 CG2 VAL A 34 -0.829 5.853 7.240 1.00 0.00 C ATOM 0 H VAL A 34 0.440 8.712 6.285 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.088 6.340 4.610 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.911 7.605 6.699 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.360 5.660 6.274 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.142 6.652 4.813 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.253 5.120 4.989 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.569 5.527 7.971 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.389 4.982 6.755 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.047 6.421 7.744 1.00 0.00 H new ATOM 583 N LEU A 35 -1.521 7.614 3.001 1.00 0.00 N ATOM 584 CA LEU A 35 -2.189 8.404 1.973 1.00 0.00 C ATOM 585 C LEU A 35 -3.457 7.708 1.490 1.00 0.00 C ATOM 586 O LEU A 35 -3.419 6.557 1.054 1.00 0.00 O ATOM 587 CB LEU A 35 -1.245 8.645 0.794 1.00 0.00 C ATOM 588 CG LEU A 35 -0.355 9.885 0.888 1.00 0.00 C ATOM 589 CD1 LEU A 35 0.957 9.548 1.579 1.00 0.00 C ATOM 590 CD2 LEU A 35 -0.098 10.464 -0.495 1.00 0.00 C ATOM 0 H LEU A 35 -1.359 6.640 2.745 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.467 9.363 2.410 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.604 7.770 0.683 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.843 8.720 -0.114 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.874 10.637 1.483 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.578 10.442 1.637 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.754 9.181 2.585 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.481 8.779 1.011 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.537 11.346 -0.408 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.399 9.718 -1.115 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.046 10.744 -0.954 1.00 0.00 H new ATOM 602 N LEU A 36 -4.580 8.414 1.570 1.00 0.00 N ATOM 603 CA LEU A 36 -5.861 7.866 1.139 1.00 0.00 C ATOM 604 C LEU A 36 -6.359 8.569 -0.119 1.00 0.00 C ATOM 605 O LEU A 36 -6.663 9.762 -0.098 1.00 0.00 O ATOM 606 CB LEU A 36 -6.897 8.000 2.256 1.00 0.00 C ATOM 607 CG LEU A 36 -8.342 7.673 1.875 1.00 0.00 C ATOM 608 CD1 LEU A 36 -8.493 6.189 1.579 1.00 0.00 C ATOM 609 CD2 LEU A 36 -9.295 8.098 2.982 1.00 0.00 C ATOM 0 H LEU A 36 -4.629 9.367 1.929 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.717 6.810 0.910 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.602 7.347 3.078 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.864 9.022 2.634 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.595 8.230 0.973 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.527 5.975 1.310 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.839 5.915 0.752 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -8.221 5.612 2.463 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -10.318 7.858 2.693 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -9.044 7.569 3.901 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -9.207 9.172 3.145 1.00 0.00 H new ATOM 621 N LYS A 37 -6.442 7.822 -1.215 1.00 0.00 N ATOM 622 CA LYS A 37 -6.906 8.371 -2.483 1.00 0.00 C ATOM 623 C LYS A 37 -8.277 7.811 -2.850 1.00 0.00 C ATOM 624 O LYS A 37 -8.682 6.760 -2.353 1.00 0.00 O ATOM 625 CB LYS A 37 -5.903 8.060 -3.595 1.00 0.00 C ATOM 626 CG LYS A 37 -4.520 8.638 -3.347 1.00 0.00 C ATOM 627 CD LYS A 37 -4.513 10.150 -3.497 1.00 0.00 C ATOM 628 CE LYS A 37 -4.205 10.566 -4.928 1.00 0.00 C ATOM 629 NZ LYS A 37 -4.584 11.983 -5.187 1.00 0.00 N ATOM 0 H LYS A 37 -6.193 6.833 -1.250 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.992 9.452 -2.372 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -5.821 6.979 -3.707 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -6.287 8.450 -4.538 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.187 8.369 -2.345 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.810 8.199 -4.048 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.482 10.551 -3.201 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -3.771 10.580 -2.824 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.141 10.433 -5.124 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -4.740 9.915 -5.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -4.359 12.228 -6.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -5.604 12.105 -5.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -4.054 12.607 -4.545 1.00 0.00 H new ATOM 643 N SER A 38 -8.986 8.519 -3.723 1.00 0.00 N ATOM 644 CA SER A 38 -10.312 8.094 -4.154 1.00 0.00 C ATOM 645 C SER A 38 -10.229 6.826 -5.000 1.00 0.00 C ATOM 646 O SER A 38 -10.078 6.888 -6.218 1.00 0.00 O ATOM 647 CB SER A 38 -10.995 9.207 -4.950 1.00 0.00 C ATOM 648 OG SER A 38 -10.286 9.487 -6.146 1.00 0.00 O ATOM 0 H SER A 38 -8.664 9.390 -4.146 1.00 0.00 H new ATOM 0 HA SER A 38 -10.903 7.878 -3.264 1.00 0.00 H new ATOM 0 HB2 SER A 38 -12.017 8.913 -5.190 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.057 10.109 -4.341 1.00 0.00 H new ATOM 0 HG SER A 38 -10.068 8.647 -6.601 1.00 0.00 H new ATOM 654 N GLY A 39 -10.327 5.675 -4.341 1.00 0.00 N ATOM 655 CA GLY A 39 -10.259 4.409 -5.046 1.00 0.00 C ATOM 656 C GLY A 39 -9.028 3.605 -4.679 1.00 0.00 C ATOM 657 O GLY A 39 -8.949 2.411 -4.968 1.00 0.00 O ATOM 0 H GLY A 39 -10.452 5.597 -3.332 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.151 3.824 -4.822 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -10.261 4.595 -6.120 1.00 0.00 H new ATOM 661 N TYR A 40 -8.065 4.261 -4.041 1.00 0.00 N ATOM 662 CA TYR A 40 -6.830 3.600 -3.637 1.00 0.00 C ATOM 663 C TYR A 40 -6.177 4.331 -2.468 1.00 0.00 C ATOM 664 O TYR A 40 -6.674 5.361 -2.011 1.00 0.00 O ATOM 665 CB TYR A 40 -5.855 3.529 -4.815 1.00 0.00 C ATOM 666 CG TYR A 40 -5.663 4.852 -5.522 1.00 0.00 C ATOM 667 CD1 TYR A 40 -6.640 5.357 -6.371 1.00 0.00 C ATOM 668 CD2 TYR A 40 -4.505 5.597 -5.339 1.00 0.00 C ATOM 669 CE1 TYR A 40 -6.467 6.564 -7.020 1.00 0.00 C ATOM 670 CE2 TYR A 40 -4.324 6.806 -5.983 1.00 0.00 C ATOM 671 CZ TYR A 40 -5.309 7.285 -6.822 1.00 0.00 C ATOM 672 OH TYR A 40 -5.134 8.489 -7.465 1.00 0.00 O ATOM 0 H TYR A 40 -8.116 5.249 -3.793 1.00 0.00 H new ATOM 0 HA TYR A 40 -7.079 2.588 -3.317 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -4.889 3.175 -4.455 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -6.218 2.792 -5.532 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -7.550 4.796 -6.526 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -3.733 5.225 -4.682 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -7.235 6.941 -7.679 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -3.417 7.372 -5.831 1.00 0.00 H new ATOM 0 HH TYR A 40 -6.006 8.912 -7.610 1.00 0.00 H new ATOM 682 N ALA A 41 -5.062 3.792 -1.989 1.00 0.00 N ATOM 683 CA ALA A 41 -4.339 4.394 -0.874 1.00 0.00 C ATOM 684 C ALA A 41 -2.900 3.894 -0.820 1.00 0.00 C ATOM 685 O ALA A 41 -2.606 2.770 -1.228 1.00 0.00 O ATOM 686 CB ALA A 41 -5.052 4.099 0.437 1.00 0.00 C ATOM 0 H ALA A 41 -4.639 2.939 -2.355 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.316 5.473 -1.027 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.502 4.554 1.261 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.061 4.511 0.403 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.105 3.021 0.588 1.00 0.00 H new ATOM 692 N PHE A 42 -2.005 4.736 -0.314 1.00 0.00 N ATOM 693 CA PHE A 42 -0.594 4.380 -0.208 1.00 0.00 C ATOM 694 C PHE A 42 -0.142 4.379 1.250 1.00 0.00 C ATOM 695 O PHE A 42 -0.588 5.201 2.050 1.00 0.00 O ATOM 696 CB PHE A 42 0.262 5.356 -1.019 1.00 0.00 C ATOM 697 CG PHE A 42 -0.266 5.610 -2.401 1.00 0.00 C ATOM 698 CD1 PHE A 42 -0.161 4.641 -3.386 1.00 0.00 C ATOM 699 CD2 PHE A 42 -0.868 6.818 -2.716 1.00 0.00 C ATOM 700 CE1 PHE A 42 -0.645 4.873 -4.660 1.00 0.00 C ATOM 701 CE2 PHE A 42 -1.355 7.055 -3.988 1.00 0.00 C ATOM 702 CZ PHE A 42 -1.245 6.081 -4.961 1.00 0.00 C ATOM 0 H PHE A 42 -2.231 5.670 0.029 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.467 3.375 -0.610 1.00 0.00 H new ATOM 0 HB2 PHE A 42 0.325 6.303 -0.483 1.00 0.00 H new ATOM 0 HB3 PHE A 42 1.276 4.963 -1.093 1.00 0.00 H new ATOM 0 HD1 PHE A 42 0.304 3.694 -3.156 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -0.958 7.583 -1.959 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -0.554 4.111 -5.420 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -1.821 8.001 -4.221 1.00 0.00 H new ATOM 0 HZ PHE A 42 -1.627 6.263 -5.955 1.00 0.00 H new ATOM 712 N VAL A 43 0.746 3.449 1.586 1.00 0.00 N ATOM 713 CA VAL A 43 1.260 3.340 2.946 1.00 0.00 C ATOM 714 C VAL A 43 2.770 3.129 2.949 1.00 0.00 C ATOM 715 O VAL A 43 3.307 2.405 2.110 1.00 0.00 O ATOM 716 CB VAL A 43 0.590 2.181 3.708 1.00 0.00 C ATOM 717 CG1 VAL A 43 -0.816 2.568 4.140 1.00 0.00 C ATOM 718 CG2 VAL A 43 0.567 0.924 2.853 1.00 0.00 C ATOM 0 H VAL A 43 1.124 2.760 0.935 1.00 0.00 H new ATOM 0 HA VAL A 43 1.027 4.279 3.448 1.00 0.00 H new ATOM 0 HB VAL A 43 1.175 1.972 4.604 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.273 1.737 4.677 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.769 3.440 4.793 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.415 2.805 3.260 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.090 0.116 3.407 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.007 1.116 1.938 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.588 0.637 2.600 1.00 0.00 H new ATOM 728 N ASP A 44 3.449 3.767 3.896 1.00 0.00 N ATOM 729 CA ASP A 44 4.898 3.648 4.008 1.00 0.00 C ATOM 730 C ASP A 44 5.278 2.572 5.020 1.00 0.00 C ATOM 731 O ASP A 44 4.865 2.620 6.178 1.00 0.00 O ATOM 732 CB ASP A 44 5.511 4.989 4.416 1.00 0.00 C ATOM 733 CG ASP A 44 7.025 4.940 4.473 1.00 0.00 C ATOM 734 OD1 ASP A 44 7.665 5.178 3.428 1.00 0.00 O ATOM 735 OD2 ASP A 44 7.570 4.662 5.562 1.00 0.00 O ATOM 0 H ASP A 44 3.020 4.371 4.597 1.00 0.00 H new ATOM 0 HA ASP A 44 5.291 3.359 3.033 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.202 5.757 3.707 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.123 5.281 5.392 1.00 0.00 H new ATOM 740 N TYR A 45 6.068 1.601 4.574 1.00 0.00 N ATOM 741 CA TYR A 45 6.501 0.510 5.440 1.00 0.00 C ATOM 742 C TYR A 45 7.928 0.738 5.931 1.00 0.00 C ATOM 743 O TYR A 45 8.780 1.268 5.218 1.00 0.00 O ATOM 744 CB TYR A 45 6.413 -0.824 4.696 1.00 0.00 C ATOM 745 CG TYR A 45 7.374 -0.935 3.535 1.00 0.00 C ATOM 746 CD1 TYR A 45 7.010 -0.508 2.264 1.00 0.00 C ATOM 747 CD2 TYR A 45 8.645 -1.469 3.707 1.00 0.00 C ATOM 748 CE1 TYR A 45 7.884 -0.608 1.199 1.00 0.00 C ATOM 749 CE2 TYR A 45 9.527 -1.571 2.649 1.00 0.00 C ATOM 750 CZ TYR A 45 9.141 -1.140 1.397 1.00 0.00 C ATOM 751 OH TYR A 45 10.016 -1.241 0.338 1.00 0.00 O ATOM 0 H TYR A 45 6.421 1.547 3.619 1.00 0.00 H new ATOM 0 HA TYR A 45 5.839 0.481 6.305 1.00 0.00 H new ATOM 0 HB2 TYR A 45 6.609 -1.635 5.397 1.00 0.00 H new ATOM 0 HB3 TYR A 45 5.396 -0.959 4.329 1.00 0.00 H new ATOM 0 HD1 TYR A 45 6.027 -0.091 2.106 1.00 0.00 H new ATOM 0 HD2 TYR A 45 8.949 -1.810 4.686 1.00 0.00 H new ATOM 0 HE1 TYR A 45 7.585 -0.272 0.217 1.00 0.00 H new ATOM 0 HE2 TYR A 45 10.513 -1.986 2.801 1.00 0.00 H new ATOM 0 HH TYR A 45 10.858 -1.636 0.646 1.00 0.00 H new ATOM 761 N PRO A 46 8.195 0.327 7.179 1.00 0.00 N ATOM 762 CA PRO A 46 9.517 0.474 7.794 1.00 0.00 C ATOM 763 C PRO A 46 10.556 -0.447 7.164 1.00 0.00 C ATOM 764 O PRO A 46 11.665 -0.019 6.844 1.00 0.00 O ATOM 765 CB PRO A 46 9.274 0.086 9.255 1.00 0.00 C ATOM 766 CG PRO A 46 8.085 -0.812 9.215 1.00 0.00 C ATOM 767 CD PRO A 46 7.227 -0.313 8.086 1.00 0.00 C ATOM 0 HA PRO A 46 9.916 1.480 7.666 1.00 0.00 H new ATOM 0 HB2 PRO A 46 10.140 -0.422 9.679 1.00 0.00 H new ATOM 0 HB3 PRO A 46 9.086 0.965 9.872 1.00 0.00 H new ATOM 0 HG2 PRO A 46 8.383 -1.847 9.050 1.00 0.00 H new ATOM 0 HG3 PRO A 46 7.542 -0.783 10.160 1.00 0.00 H new ATOM 0 HD2 PRO A 46 6.695 -1.128 7.595 1.00 0.00 H new ATOM 0 HD3 PRO A 46 6.475 0.395 8.435 1.00 0.00 H new ATOM 775 N ASP A 47 10.189 -1.712 6.989 1.00 0.00 N ATOM 776 CA ASP A 47 11.090 -2.694 6.396 1.00 0.00 C ATOM 777 C ASP A 47 10.315 -3.698 5.547 1.00 0.00 C ATOM 778 O ASP A 47 9.092 -3.788 5.640 1.00 0.00 O ATOM 779 CB ASP A 47 11.873 -3.425 7.487 1.00 0.00 C ATOM 780 CG ASP A 47 13.193 -3.973 6.983 1.00 0.00 C ATOM 781 OD1 ASP A 47 13.196 -5.083 6.412 1.00 0.00 O ATOM 782 OD2 ASP A 47 14.223 -3.291 7.161 1.00 0.00 O ATOM 0 H ASP A 47 9.275 -2.081 7.249 1.00 0.00 H new ATOM 0 HA ASP A 47 11.792 -2.165 5.751 1.00 0.00 H new ATOM 0 HB2 ASP A 47 12.059 -2.742 8.316 1.00 0.00 H new ATOM 0 HB3 ASP A 47 11.268 -4.244 7.878 1.00 0.00 H new ATOM 787 N GLN A 48 11.037 -4.448 4.722 1.00 0.00 N ATOM 788 CA GLN A 48 10.417 -5.444 3.856 1.00 0.00 C ATOM 789 C GLN A 48 9.627 -6.460 4.674 1.00 0.00 C ATOM 790 O GLN A 48 8.595 -6.962 4.230 1.00 0.00 O ATOM 791 CB GLN A 48 11.481 -6.160 3.022 1.00 0.00 C ATOM 792 CG GLN A 48 11.762 -5.488 1.688 1.00 0.00 C ATOM 793 CD GLN A 48 12.860 -6.180 0.906 1.00 0.00 C ATOM 794 OE1 GLN A 48 13.964 -6.383 1.411 1.00 0.00 O ATOM 795 NE2 GLN A 48 12.563 -6.547 -0.336 1.00 0.00 N ATOM 0 H GLN A 48 12.051 -4.385 4.635 1.00 0.00 H new ATOM 0 HA GLN A 48 9.728 -4.928 3.187 1.00 0.00 H new ATOM 0 HB2 GLN A 48 12.406 -6.211 3.596 1.00 0.00 H new ATOM 0 HB3 GLN A 48 11.160 -7.186 2.842 1.00 0.00 H new ATOM 0 HG2 GLN A 48 10.849 -5.476 1.092 1.00 0.00 H new ATOM 0 HG3 GLN A 48 12.044 -4.449 1.861 1.00 0.00 H new ATOM 0 HE21 GLN A 48 11.635 -6.359 -0.715 1.00 0.00 H new ATOM 0 HE22 GLN A 48 13.263 -7.017 -0.910 1.00 0.00 H new ATOM 804 N ASN A 49 10.119 -6.759 5.872 1.00 0.00 N ATOM 805 CA ASN A 49 9.460 -7.716 6.753 1.00 0.00 C ATOM 806 C ASN A 49 8.071 -7.224 7.148 1.00 0.00 C ATOM 807 O ASN A 49 7.099 -7.980 7.108 1.00 0.00 O ATOM 808 CB ASN A 49 10.305 -7.954 8.006 1.00 0.00 C ATOM 809 CG ASN A 49 9.617 -8.869 9.002 1.00 0.00 C ATOM 810 OD1 ASN A 49 9.387 -10.045 8.725 1.00 0.00 O ATOM 811 ND2 ASN A 49 9.285 -8.329 10.169 1.00 0.00 N ATOM 0 H ASN A 49 10.972 -6.352 6.255 1.00 0.00 H new ATOM 0 HA ASN A 49 9.353 -8.656 6.212 1.00 0.00 H new ATOM 0 HB2 ASN A 49 11.262 -8.389 7.718 1.00 0.00 H new ATOM 0 HB3 ASN A 49 10.520 -6.998 8.483 1.00 0.00 H new ATOM 0 HD21 ASN A 49 8.820 -8.895 10.879 1.00 0.00 H new ATOM 0 HD22 ASN A 49 9.495 -7.349 10.356 1.00 0.00 H new ATOM 818 N TRP A 50 7.985 -5.956 7.530 1.00 0.00 N ATOM 819 CA TRP A 50 6.714 -5.362 7.931 1.00 0.00 C ATOM 820 C TRP A 50 5.750 -5.292 6.753 1.00 0.00 C ATOM 821 O TRP A 50 4.572 -5.625 6.882 1.00 0.00 O ATOM 822 CB TRP A 50 6.942 -3.963 8.507 1.00 0.00 C ATOM 823 CG TRP A 50 5.681 -3.306 8.982 1.00 0.00 C ATOM 824 CD1 TRP A 50 5.272 -3.157 10.276 1.00 0.00 C ATOM 825 CD2 TRP A 50 4.666 -2.710 8.167 1.00 0.00 C ATOM 826 NE1 TRP A 50 4.063 -2.504 10.316 1.00 0.00 N ATOM 827 CE2 TRP A 50 3.670 -2.218 9.035 1.00 0.00 C ATOM 828 CE3 TRP A 50 4.500 -2.541 6.790 1.00 0.00 C ATOM 829 CZ2 TRP A 50 2.528 -1.573 8.568 1.00 0.00 C ATOM 830 CZ3 TRP A 50 3.367 -1.900 6.328 1.00 0.00 C ATOM 831 CH2 TRP A 50 2.393 -1.422 7.215 1.00 0.00 C ATOM 0 H TRP A 50 8.780 -5.318 7.571 1.00 0.00 H new ATOM 0 HA TRP A 50 6.271 -5.995 8.699 1.00 0.00 H new ATOM 0 HB2 TRP A 50 7.644 -4.029 9.338 1.00 0.00 H new ATOM 0 HB3 TRP A 50 7.407 -3.335 7.746 1.00 0.00 H new ATOM 0 HD1 TRP A 50 5.818 -3.502 11.142 1.00 0.00 H new ATOM 0 HE1 TRP A 50 3.543 -2.270 11.162 1.00 0.00 H new ATOM 0 HE3 TRP A 50 5.245 -2.905 6.098 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 1.775 -1.205 9.250 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 3.229 -1.765 5.265 1.00 0.00 H new ATOM 0 HH2 TRP A 50 1.518 -0.925 6.823 1.00 0.00 H new ATOM 842 N ALA A 51 6.256 -4.854 5.604 1.00 0.00 N ATOM 843 CA ALA A 51 5.439 -4.743 4.403 1.00 0.00 C ATOM 844 C ALA A 51 4.948 -6.110 3.943 1.00 0.00 C ATOM 845 O ALA A 51 3.755 -6.306 3.707 1.00 0.00 O ATOM 846 CB ALA A 51 6.224 -4.060 3.293 1.00 0.00 C ATOM 0 H ALA A 51 7.228 -4.570 5.481 1.00 0.00 H new ATOM 0 HA ALA A 51 4.566 -4.136 4.643 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.602 -3.984 2.401 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.518 -3.062 3.617 1.00 0.00 H new ATOM 0 HB3 ALA A 51 7.115 -4.645 3.065 1.00 0.00 H new ATOM 852 N ILE A 52 5.874 -7.055 3.819 1.00 0.00 N ATOM 853 CA ILE A 52 5.535 -8.405 3.387 1.00 0.00 C ATOM 854 C ILE A 52 4.529 -9.048 4.336 1.00 0.00 C ATOM 855 O ILE A 52 3.572 -9.690 3.900 1.00 0.00 O ATOM 856 CB ILE A 52 6.785 -9.300 3.300 1.00 0.00 C ATOM 857 CG1 ILE A 52 7.758 -8.753 2.253 1.00 0.00 C ATOM 858 CG2 ILE A 52 6.390 -10.731 2.966 1.00 0.00 C ATOM 859 CD1 ILE A 52 9.176 -9.252 2.426 1.00 0.00 C ATOM 0 H ILE A 52 6.865 -6.910 4.012 1.00 0.00 H new ATOM 0 HA ILE A 52 5.092 -8.317 2.395 1.00 0.00 H new ATOM 0 HB ILE A 52 7.283 -9.298 4.269 1.00 0.00 H new ATOM 0 HG12 ILE A 52 7.403 -9.029 1.260 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.756 -7.664 2.301 1.00 0.00 H new ATOM 0 HG21 ILE A 52 7.284 -11.351 2.908 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.730 -11.117 3.743 1.00 0.00 H new ATOM 0 HG23 ILE A 52 5.872 -10.751 2.007 1.00 0.00 H new ATOM 0 HD11 ILE A 52 9.810 -8.824 1.650 1.00 0.00 H new ATOM 0 HD12 ILE A 52 9.550 -8.953 3.405 1.00 0.00 H new ATOM 0 HD13 ILE A 52 9.191 -10.339 2.348 1.00 0.00 H new ATOM 871 N ARG A 53 4.749 -8.870 5.634 1.00 0.00 N ATOM 872 CA ARG A 53 3.862 -9.433 6.644 1.00 0.00 C ATOM 873 C ARG A 53 2.514 -8.719 6.641 1.00 0.00 C ATOM 874 O ARG A 53 1.469 -9.344 6.821 1.00 0.00 O ATOM 875 CB ARG A 53 4.503 -9.330 8.030 1.00 0.00 C ATOM 876 CG ARG A 53 4.091 -10.447 8.975 1.00 0.00 C ATOM 877 CD ARG A 53 4.086 -9.980 10.422 1.00 0.00 C ATOM 878 NE ARG A 53 5.379 -10.188 11.068 1.00 0.00 N ATOM 879 CZ ARG A 53 5.602 -9.957 12.358 1.00 0.00 C ATOM 880 NH1 ARG A 53 4.623 -9.514 13.134 1.00 0.00 N ATOM 881 NH2 ARG A 53 6.805 -10.171 12.873 1.00 0.00 N ATOM 0 H ARG A 53 5.535 -8.340 6.011 1.00 0.00 H new ATOM 0 HA ARG A 53 3.698 -10.484 6.404 1.00 0.00 H new ATOM 0 HB2 ARG A 53 5.588 -9.339 7.921 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.235 -8.372 8.475 1.00 0.00 H new ATOM 0 HG2 ARG A 53 3.098 -10.806 8.704 1.00 0.00 H new ATOM 0 HG3 ARG A 53 4.775 -11.288 8.866 1.00 0.00 H new ATOM 0 HD2 ARG A 53 3.827 -8.922 10.461 1.00 0.00 H new ATOM 0 HD3 ARG A 53 3.314 -10.517 10.974 1.00 0.00 H new ATOM 0 HE ARG A 53 6.153 -10.529 10.498 1.00 0.00 H new ATOM 0 HH11 ARG A 53 3.696 -9.350 12.742 1.00 0.00 H new ATOM 0 HH12 ARG A 53 4.797 -9.338 14.123 1.00 0.00 H new ATOM 0 HH21 ARG A 53 7.560 -10.513 12.279 1.00 0.00 H new ATOM 0 HH22 ARG A 53 6.975 -9.993 13.863 1.00 0.00 H new ATOM 895 N ALA A 54 2.545 -7.406 6.435 1.00 0.00 N ATOM 896 CA ALA A 54 1.325 -6.608 6.408 1.00 0.00 C ATOM 897 C ALA A 54 0.462 -6.968 5.204 1.00 0.00 C ATOM 898 O ALA A 54 -0.749 -7.153 5.330 1.00 0.00 O ATOM 899 CB ALA A 54 1.666 -5.125 6.391 1.00 0.00 C ATOM 0 H ALA A 54 3.401 -6.873 6.284 1.00 0.00 H new ATOM 0 HA ALA A 54 0.755 -6.828 7.310 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.746 -4.540 6.371 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.237 -4.873 7.285 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.259 -4.898 5.505 1.00 0.00 H new ATOM 905 N ILE A 55 1.091 -7.063 4.037 1.00 0.00 N ATOM 906 CA ILE A 55 0.379 -7.402 2.811 1.00 0.00 C ATOM 907 C ILE A 55 -0.191 -8.815 2.878 1.00 0.00 C ATOM 908 O ILE A 55 -1.359 -9.038 2.561 1.00 0.00 O ATOM 909 CB ILE A 55 1.294 -7.286 1.579 1.00 0.00 C ATOM 910 CG1 ILE A 55 1.624 -5.819 1.296 1.00 0.00 C ATOM 911 CG2 ILE A 55 0.635 -7.930 0.368 1.00 0.00 C ATOM 912 CD1 ILE A 55 2.938 -5.625 0.572 1.00 0.00 C ATOM 0 H ILE A 55 2.092 -6.910 3.915 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.439 -6.688 2.714 1.00 0.00 H new ATOM 0 HB ILE A 55 2.225 -7.814 1.786 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.822 -5.383 0.700 1.00 0.00 H new ATOM 0 HG13 ILE A 55 1.654 -5.273 2.239 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.294 -7.840 -0.496 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.448 -8.984 0.573 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.309 -7.428 0.158 1.00 0.00 H new ATOM 0 HD11 ILE A 55 3.108 -4.561 0.404 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.750 -6.031 1.176 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.905 -6.143 -0.387 1.00 0.00 H new ATOM 924 N GLU A 56 0.641 -9.763 3.296 1.00 0.00 N ATOM 925 CA GLU A 56 0.219 -11.155 3.404 1.00 0.00 C ATOM 926 C GLU A 56 -0.898 -11.305 4.434 1.00 0.00 C ATOM 927 O GLU A 56 -1.818 -12.104 4.257 1.00 0.00 O ATOM 928 CB GLU A 56 1.405 -12.042 3.788 1.00 0.00 C ATOM 929 CG GLU A 56 2.185 -12.566 2.595 1.00 0.00 C ATOM 930 CD GLU A 56 1.519 -13.762 1.943 1.00 0.00 C ATOM 931 OE1 GLU A 56 0.274 -13.848 1.992 1.00 0.00 O ATOM 932 OE2 GLU A 56 2.242 -14.613 1.383 1.00 0.00 O ATOM 0 H GLU A 56 1.610 -9.593 3.565 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.161 -11.470 2.432 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.078 -11.475 4.431 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.041 -12.887 4.373 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.294 -11.770 1.859 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.189 -12.844 2.916 1.00 0.00 H new ATOM 939 N THR A 57 -0.809 -10.532 5.512 1.00 0.00 N ATOM 940 CA THR A 57 -1.809 -10.579 6.571 1.00 0.00 C ATOM 941 C THR A 57 -3.043 -9.765 6.198 1.00 0.00 C ATOM 942 O THR A 57 -4.157 -10.075 6.625 1.00 0.00 O ATOM 943 CB THR A 57 -1.243 -10.052 7.902 1.00 0.00 C ATOM 944 OG1 THR A 57 -0.168 -10.890 8.344 1.00 0.00 O ATOM 945 CG2 THR A 57 -2.326 -10.003 8.969 1.00 0.00 C ATOM 0 H THR A 57 -0.054 -9.866 5.674 1.00 0.00 H new ATOM 0 HA THR A 57 -2.090 -11.625 6.694 1.00 0.00 H new ATOM 0 HB THR A 57 -0.871 -9.041 7.738 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.671 -10.585 7.941 1.00 0.00 H new ATOM 0 HG21 THR A 57 -1.902 -9.628 9.900 1.00 0.00 H new ATOM 0 HG22 THR A 57 -3.129 -9.342 8.643 1.00 0.00 H new ATOM 0 HG23 THR A 57 -2.724 -11.005 9.129 1.00 0.00 H new ATOM 953 N LEU A 58 -2.840 -8.723 5.400 1.00 0.00 N ATOM 954 CA LEU A 58 -3.937 -7.863 4.970 1.00 0.00 C ATOM 955 C LEU A 58 -4.468 -8.299 3.608 1.00 0.00 C ATOM 956 O LEU A 58 -5.600 -8.769 3.493 1.00 0.00 O ATOM 957 CB LEU A 58 -3.476 -6.406 4.907 1.00 0.00 C ATOM 958 CG LEU A 58 -3.020 -5.789 6.230 1.00 0.00 C ATOM 959 CD1 LEU A 58 -2.240 -4.507 5.979 1.00 0.00 C ATOM 960 CD2 LEU A 58 -4.214 -5.521 7.133 1.00 0.00 C ATOM 0 H LEU A 58 -1.926 -8.453 5.037 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.742 -7.951 5.700 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.654 -6.336 4.194 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.294 -5.804 4.511 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.362 -6.498 6.733 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.923 -4.081 6.931 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.363 -4.728 5.371 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.874 -3.792 5.455 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.870 -5.082 8.070 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.897 -4.831 6.638 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.731 -6.458 7.340 1.00 0.00 H new ATOM 972 N SER A 59 -3.643 -8.142 2.578 1.00 0.00 N ATOM 973 CA SER A 59 -4.029 -8.518 1.224 1.00 0.00 C ATOM 974 C SER A 59 -4.437 -9.987 1.163 1.00 0.00 C ATOM 975 O SER A 59 -3.613 -10.879 1.358 1.00 0.00 O ATOM 976 CB SER A 59 -2.878 -8.255 0.250 1.00 0.00 C ATOM 977 OG SER A 59 -3.324 -8.312 -1.094 1.00 0.00 O ATOM 0 H SER A 59 -2.702 -7.756 2.656 1.00 0.00 H new ATOM 0 HA SER A 59 -4.886 -7.909 0.935 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.444 -7.276 0.451 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.090 -8.991 0.406 1.00 0.00 H new ATOM 0 HG SER A 59 -2.571 -8.139 -1.696 1.00 0.00 H new ATOM 983 N GLY A 60 -5.714 -10.230 0.890 1.00 0.00 N ATOM 984 CA GLY A 60 -6.210 -11.591 0.807 1.00 0.00 C ATOM 985 C GLY A 60 -6.495 -12.188 2.171 1.00 0.00 C ATOM 986 O GLY A 60 -6.897 -13.346 2.280 1.00 0.00 O ATOM 0 H GLY A 60 -6.415 -9.508 0.725 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.121 -11.607 0.209 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.478 -12.210 0.288 1.00 0.00 H new ATOM 990 N LYS A 61 -6.286 -11.394 3.217 1.00 0.00 N ATOM 991 CA LYS A 61 -6.522 -11.850 4.583 1.00 0.00 C ATOM 992 C LYS A 61 -7.300 -10.806 5.377 1.00 0.00 C ATOM 993 O LYS A 61 -7.440 -10.915 6.596 1.00 0.00 O ATOM 994 CB LYS A 61 -5.193 -12.149 5.279 1.00 0.00 C ATOM 995 CG LYS A 61 -4.686 -13.561 5.040 1.00 0.00 C ATOM 996 CD LYS A 61 -5.205 -14.526 6.094 1.00 0.00 C ATOM 997 CE LYS A 61 -6.631 -14.963 5.796 1.00 0.00 C ATOM 998 NZ LYS A 61 -7.023 -16.156 6.595 1.00 0.00 N ATOM 0 H LYS A 61 -5.954 -10.432 3.145 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.115 -12.763 4.538 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -4.443 -11.439 4.932 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.310 -11.990 6.351 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -4.998 -13.898 4.052 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -3.596 -13.563 5.048 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.557 -15.401 6.138 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -5.166 -14.051 7.074 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.315 -14.142 6.010 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -6.727 -15.189 4.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.001 -16.423 6.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -6.386 -16.948 6.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -6.956 -15.932 7.608 1.00 0.00 H new ATOM 1012 N VAL A 62 -7.807 -9.795 4.679 1.00 0.00 N ATOM 1013 CA VAL A 62 -8.575 -8.732 5.320 1.00 0.00 C ATOM 1014 C VAL A 62 -9.656 -8.197 4.387 1.00 0.00 C ATOM 1015 O VAL A 62 -9.388 -7.876 3.230 1.00 0.00 O ATOM 1016 CB VAL A 62 -7.665 -7.568 5.755 1.00 0.00 C ATOM 1017 CG1 VAL A 62 -8.493 -6.328 6.056 1.00 0.00 C ATOM 1018 CG2 VAL A 62 -6.830 -7.968 6.962 1.00 0.00 C ATOM 0 H VAL A 62 -7.700 -9.689 3.670 1.00 0.00 H new ATOM 0 HA VAL A 62 -9.044 -9.167 6.203 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.987 -7.333 4.935 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -7.834 -5.516 6.362 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -9.043 -6.032 5.163 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -9.196 -6.546 6.860 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -6.193 -7.134 7.256 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -7.489 -8.231 7.790 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -6.209 -8.827 6.706 1.00 0.00 H new ATOM 1028 N GLU A 63 -10.878 -8.103 4.900 1.00 0.00 N ATOM 1029 CA GLU A 63 -12.001 -7.607 4.112 1.00 0.00 C ATOM 1030 C GLU A 63 -12.612 -6.367 4.758 1.00 0.00 C ATOM 1031 O GLU A 63 -12.900 -6.354 5.956 1.00 0.00 O ATOM 1032 CB GLU A 63 -13.067 -8.695 3.962 1.00 0.00 C ATOM 1033 CG GLU A 63 -14.144 -8.354 2.945 1.00 0.00 C ATOM 1034 CD GLU A 63 -15.328 -9.298 3.010 1.00 0.00 C ATOM 1035 OE1 GLU A 63 -15.918 -9.434 4.103 1.00 0.00 O ATOM 1036 OE2 GLU A 63 -15.664 -9.902 1.970 1.00 0.00 O ATOM 0 H GLU A 63 -11.116 -8.363 5.857 1.00 0.00 H new ATOM 0 HA GLU A 63 -11.628 -7.335 3.125 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -12.584 -9.627 3.669 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -13.535 -8.869 4.931 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -14.488 -7.334 3.114 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -13.715 -8.384 1.943 1.00 0.00 H new ATOM 1043 N LEU A 64 -12.806 -5.325 3.956 1.00 0.00 N ATOM 1044 CA LEU A 64 -13.382 -4.078 4.448 1.00 0.00 C ATOM 1045 C LEU A 64 -14.674 -3.746 3.707 1.00 0.00 C ATOM 1046 O LEU A 64 -14.703 -3.707 2.476 1.00 0.00 O ATOM 1047 CB LEU A 64 -12.381 -2.933 4.290 1.00 0.00 C ATOM 1048 CG LEU A 64 -12.559 -1.750 5.242 1.00 0.00 C ATOM 1049 CD1 LEU A 64 -12.650 -2.231 6.682 1.00 0.00 C ATOM 1050 CD2 LEU A 64 -11.416 -0.759 5.080 1.00 0.00 C ATOM 0 H LEU A 64 -12.573 -5.319 2.963 1.00 0.00 H new ATOM 0 HA LEU A 64 -13.614 -4.206 5.505 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -11.376 -3.334 4.425 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -12.442 -2.562 3.267 1.00 0.00 H new ATOM 0 HG LEU A 64 -13.491 -1.244 4.991 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -12.776 -1.375 7.344 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -13.503 -2.901 6.789 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -11.736 -2.762 6.947 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -11.559 0.077 5.765 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -10.471 -1.254 5.304 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -11.398 -0.389 4.055 1.00 0.00 H new ATOM 1062 N HIS A 65 -15.739 -3.504 4.464 1.00 0.00 N ATOM 1063 CA HIS A 65 -17.033 -3.171 3.878 1.00 0.00 C ATOM 1064 C HIS A 65 -17.527 -4.298 2.975 1.00 0.00 C ATOM 1065 O HIS A 65 -18.297 -4.069 2.043 1.00 0.00 O ATOM 1066 CB HIS A 65 -16.937 -1.870 3.082 1.00 0.00 C ATOM 1067 CG HIS A 65 -17.188 -0.644 3.905 1.00 0.00 C ATOM 1068 ND1 HIS A 65 -18.415 -0.019 3.969 1.00 0.00 N ATOM 1069 CD2 HIS A 65 -16.361 0.071 4.703 1.00 0.00 C ATOM 1070 CE1 HIS A 65 -18.331 1.029 4.769 1.00 0.00 C ATOM 1071 NE2 HIS A 65 -17.095 1.105 5.229 1.00 0.00 N ATOM 0 H HIS A 65 -15.732 -3.532 5.484 1.00 0.00 H new ATOM 0 HA HIS A 65 -17.748 -3.039 4.690 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -15.946 -1.800 2.634 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -17.655 -1.901 2.263 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -15.317 -0.134 4.891 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -19.136 1.708 5.007 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -16.743 1.816 5.870 1.00 0.00 H new ATOM 1079 N GLY A 66 -17.078 -5.517 3.258 1.00 0.00 N ATOM 1080 CA GLY A 66 -17.485 -6.661 2.463 1.00 0.00 C ATOM 1081 C GLY A 66 -16.598 -6.869 1.251 1.00 0.00 C ATOM 1082 O GLY A 66 -16.695 -7.888 0.570 1.00 0.00 O ATOM 0 H GLY A 66 -16.440 -5.733 4.024 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -17.463 -7.557 3.083 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -18.516 -6.524 2.136 1.00 0.00 H new ATOM 1086 N LYS A 67 -15.732 -5.897 0.981 1.00 0.00 N ATOM 1087 CA LYS A 67 -14.824 -5.977 -0.158 1.00 0.00 C ATOM 1088 C LYS A 67 -13.408 -6.311 0.298 1.00 0.00 C ATOM 1089 O LYS A 67 -12.879 -5.688 1.221 1.00 0.00 O ATOM 1090 CB LYS A 67 -14.825 -4.655 -0.930 1.00 0.00 C ATOM 1091 CG LYS A 67 -16.143 -4.356 -1.621 1.00 0.00 C ATOM 1092 CD LYS A 67 -15.960 -3.377 -2.769 1.00 0.00 C ATOM 1093 CE LYS A 67 -17.294 -2.985 -3.385 1.00 0.00 C ATOM 1094 NZ LYS A 67 -17.816 -4.041 -4.295 1.00 0.00 N ATOM 0 H LYS A 67 -15.640 -5.045 1.535 1.00 0.00 H new ATOM 0 HA LYS A 67 -15.173 -6.774 -0.814 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -14.592 -3.842 -0.242 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -14.030 -4.679 -1.676 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -16.576 -5.283 -1.997 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -16.848 -3.944 -0.899 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -15.448 -2.485 -2.409 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -15.323 -3.824 -3.532 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -18.019 -2.798 -2.593 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -17.179 -2.053 -3.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -18.726 -3.736 -4.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -17.136 -4.202 -5.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -17.950 -4.924 -3.762 1.00 0.00 H new ATOM 1108 N ILE A 68 -12.798 -7.297 -0.352 1.00 0.00 N ATOM 1109 CA ILE A 68 -11.442 -7.710 -0.015 1.00 0.00 C ATOM 1110 C ILE A 68 -10.425 -6.649 -0.422 1.00 0.00 C ATOM 1111 O ILE A 68 -10.431 -6.173 -1.556 1.00 0.00 O ATOM 1112 CB ILE A 68 -11.075 -9.043 -0.692 1.00 0.00 C ATOM 1113 CG1 ILE A 68 -12.188 -10.072 -0.481 1.00 0.00 C ATOM 1114 CG2 ILE A 68 -9.753 -9.566 -0.150 1.00 0.00 C ATOM 1115 CD1 ILE A 68 -12.232 -10.634 0.923 1.00 0.00 C ATOM 0 H ILE A 68 -13.222 -7.824 -1.115 1.00 0.00 H new ATOM 0 HA ILE A 68 -11.413 -7.841 1.067 1.00 0.00 H new ATOM 0 HB ILE A 68 -10.964 -8.871 -1.763 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -13.148 -9.609 -0.709 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -12.054 -10.891 -1.188 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -9.507 -10.509 -0.638 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -8.965 -8.839 -0.348 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -9.838 -9.725 0.925 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -13.044 -11.356 1.000 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -11.286 -11.126 1.148 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -12.397 -9.824 1.634 1.00 0.00 H new ATOM 1127 N MET A 69 -9.552 -6.285 0.511 1.00 0.00 N ATOM 1128 CA MET A 69 -8.527 -5.281 0.248 1.00 0.00 C ATOM 1129 C MET A 69 -7.307 -5.912 -0.416 1.00 0.00 C ATOM 1130 O MET A 69 -6.846 -6.976 -0.004 1.00 0.00 O ATOM 1131 CB MET A 69 -8.114 -4.590 1.549 1.00 0.00 C ATOM 1132 CG MET A 69 -6.975 -5.289 2.274 1.00 0.00 C ATOM 1133 SD MET A 69 -6.852 -4.804 4.006 1.00 0.00 S ATOM 1134 CE MET A 69 -6.571 -3.042 3.845 1.00 0.00 C ATOM 0 H MET A 69 -9.533 -6.670 1.455 1.00 0.00 H new ATOM 0 HA MET A 69 -8.946 -4.539 -0.432 1.00 0.00 H new ATOM 0 HB2 MET A 69 -7.818 -3.565 1.328 1.00 0.00 H new ATOM 0 HB3 MET A 69 -8.977 -4.537 2.212 1.00 0.00 H new ATOM 0 HG2 MET A 69 -7.118 -6.368 2.212 1.00 0.00 H new ATOM 0 HG3 MET A 69 -6.035 -5.063 1.770 1.00 0.00 H new ATOM 0 HE1 MET A 69 -5.844 -2.720 4.591 1.00 0.00 H new ATOM 0 HE2 MET A 69 -6.188 -2.824 2.848 1.00 0.00 H new ATOM 0 HE3 MET A 69 -7.509 -2.508 3.998 1.00 0.00 H new ATOM 1144 N GLU A 70 -6.790 -5.249 -1.446 1.00 0.00 N ATOM 1145 CA GLU A 70 -5.625 -5.747 -2.166 1.00 0.00 C ATOM 1146 C GLU A 70 -4.420 -4.834 -1.950 1.00 0.00 C ATOM 1147 O GLU A 70 -4.499 -3.624 -2.159 1.00 0.00 O ATOM 1148 CB GLU A 70 -5.931 -5.859 -3.661 1.00 0.00 C ATOM 1149 CG GLU A 70 -6.506 -7.206 -4.066 1.00 0.00 C ATOM 1150 CD GLU A 70 -6.767 -7.306 -5.556 1.00 0.00 C ATOM 1151 OE1 GLU A 70 -7.751 -6.700 -6.029 1.00 0.00 O ATOM 1152 OE2 GLU A 70 -5.985 -7.989 -6.249 1.00 0.00 O ATOM 0 H GLU A 70 -7.160 -4.367 -1.800 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.385 -6.736 -1.776 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.635 -5.075 -3.939 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -5.016 -5.680 -4.225 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.816 -7.995 -3.768 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.437 -7.376 -3.526 1.00 0.00 H new ATOM 1159 N VAL A 71 -3.306 -5.425 -1.530 1.00 0.00 N ATOM 1160 CA VAL A 71 -2.085 -4.667 -1.286 1.00 0.00 C ATOM 1161 C VAL A 71 -0.941 -5.169 -2.160 1.00 0.00 C ATOM 1162 O VAL A 71 -0.684 -6.371 -2.233 1.00 0.00 O ATOM 1163 CB VAL A 71 -1.660 -4.748 0.193 1.00 0.00 C ATOM 1164 CG1 VAL A 71 -0.743 -3.588 0.550 1.00 0.00 C ATOM 1165 CG2 VAL A 71 -2.882 -4.772 1.097 1.00 0.00 C ATOM 0 H VAL A 71 -3.224 -6.426 -1.352 1.00 0.00 H new ATOM 0 HA VAL A 71 -2.302 -3.629 -1.538 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.107 -5.675 0.344 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.454 -3.662 1.598 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.149 -3.623 -0.076 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.266 -2.646 0.384 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -2.564 -4.829 2.138 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.465 -3.863 0.945 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.495 -5.641 0.857 1.00 0.00 H new ATOM 1175 N ASP A 72 -0.259 -4.243 -2.822 1.00 0.00 N ATOM 1176 CA ASP A 72 0.859 -4.590 -3.691 1.00 0.00 C ATOM 1177 C ASP A 72 1.859 -3.442 -3.778 1.00 0.00 C ATOM 1178 O ASP A 72 1.479 -2.271 -3.750 1.00 0.00 O ATOM 1179 CB ASP A 72 0.353 -4.950 -5.089 1.00 0.00 C ATOM 1180 CG ASP A 72 1.351 -5.782 -5.870 1.00 0.00 C ATOM 1181 OD1 ASP A 72 1.793 -6.826 -5.346 1.00 0.00 O ATOM 1182 OD2 ASP A 72 1.691 -5.389 -7.006 1.00 0.00 O ATOM 0 H ASP A 72 -0.461 -3.244 -2.774 1.00 0.00 H new ATOM 0 HA ASP A 72 1.365 -5.455 -3.262 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.585 -5.499 -5.002 1.00 0.00 H new ATOM 0 HB3 ASP A 72 0.137 -4.035 -5.641 1.00 0.00 H new ATOM 1187 N TYR A 73 3.138 -3.784 -3.883 1.00 0.00 N ATOM 1188 CA TYR A 73 4.193 -2.781 -3.970 1.00 0.00 C ATOM 1189 C TYR A 73 3.876 -1.750 -5.050 1.00 0.00 C ATOM 1190 O TYR A 73 3.383 -2.091 -6.124 1.00 0.00 O ATOM 1191 CB TYR A 73 5.536 -3.448 -4.266 1.00 0.00 C ATOM 1192 CG TYR A 73 5.799 -4.679 -3.427 1.00 0.00 C ATOM 1193 CD1 TYR A 73 5.876 -4.596 -2.042 1.00 0.00 C ATOM 1194 CD2 TYR A 73 5.971 -5.924 -4.018 1.00 0.00 C ATOM 1195 CE1 TYR A 73 6.116 -5.717 -1.271 1.00 0.00 C ATOM 1196 CE2 TYR A 73 6.210 -7.051 -3.256 1.00 0.00 C ATOM 1197 CZ TYR A 73 6.281 -6.942 -1.883 1.00 0.00 C ATOM 1198 OH TYR A 73 6.522 -8.062 -1.120 1.00 0.00 O ATOM 0 H TYR A 73 3.470 -4.748 -3.910 1.00 0.00 H new ATOM 0 HA TYR A 73 4.253 -2.269 -3.010 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.571 -3.723 -5.320 1.00 0.00 H new ATOM 0 HB3 TYR A 73 6.335 -2.726 -4.098 1.00 0.00 H new ATOM 0 HD1 TYR A 73 5.746 -3.638 -1.560 1.00 0.00 H new ATOM 0 HD2 TYR A 73 5.917 -6.013 -5.093 1.00 0.00 H new ATOM 0 HE1 TYR A 73 6.174 -5.635 -0.196 1.00 0.00 H new ATOM 0 HE2 TYR A 73 6.340 -8.011 -3.732 1.00 0.00 H new ATOM 0 HH TYR A 73 6.613 -8.843 -1.705 1.00 0.00 H new ATOM 1208 N SER A 74 4.165 -0.487 -4.754 1.00 0.00 N ATOM 1209 CA SER A 74 3.908 0.596 -5.696 1.00 0.00 C ATOM 1210 C SER A 74 5.196 1.028 -6.391 1.00 0.00 C ATOM 1211 O SER A 74 5.466 2.220 -6.540 1.00 0.00 O ATOM 1212 CB SER A 74 3.279 1.790 -4.975 1.00 0.00 C ATOM 1213 OG SER A 74 3.025 2.854 -5.876 1.00 0.00 O ATOM 0 H SER A 74 4.577 -0.189 -3.870 1.00 0.00 H new ATOM 0 HA SER A 74 3.213 0.230 -6.451 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.348 1.482 -4.499 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.944 2.132 -4.182 1.00 0.00 H new ATOM 0 HG SER A 74 3.821 3.015 -6.424 1.00 0.00 H new