USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 618 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 43:sc= 0.0276 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 42:sc= 1.02 USER MOD Single : A 19 SER OG : rot 160:sc= -0.282 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 140:sc= -2.23! (180deg=-4.29!) USER MOD Single : A 29 SER OG : rot 15:sc= 0.478 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.204 USER MOD Single : A 54 SER OG : rot -39:sc= 0.923 USER MOD Single : A 58 THR OG1 : rot 120:sc= -0.286 USER MOD Single : A 59 ASN : amide:sc= -0.359 K(o=-0.36,f=-0.93) USER MOD Single : A 65 ASN : amide:sc= -0.0661 X(o=-0.066,f=0) USER MOD Single : A 68 GLN : amide:sc= -1.55 X(o=-1.5,f=-1.7) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0027 USER MOD Single : A 72 ASN :FLIP amide:sc= 0.133 F(o=-0.6,f=0.13) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 HIS : no HD1:sc= -12.3! C(o=-12!,f=-13!) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 92 N SER A 9 -12.132 -15.138 3.713 1.00 0.00 N ATOM 93 CA SER A 9 -10.948 -14.557 4.321 1.00 0.00 C ATOM 94 C SER A 9 -10.286 -13.579 3.348 1.00 0.00 C ATOM 95 O SER A 9 -9.407 -13.965 2.578 1.00 0.00 O ATOM 96 CB SER A 9 -9.954 -15.642 4.742 1.00 0.00 C ATOM 97 OG SER A 9 -9.127 -15.219 5.822 1.00 0.00 O ATOM 0 HA SER A 9 -11.255 -14.017 5.217 1.00 0.00 H new ATOM 0 HB2 SER A 9 -10.499 -16.540 5.033 1.00 0.00 H new ATOM 0 HB3 SER A 9 -9.329 -15.911 3.891 1.00 0.00 H new ATOM 0 HG SER A 9 -8.508 -15.940 6.062 1.00 0.00 H new ATOM 103 N LYS A 10 -10.733 -12.334 3.414 1.00 0.00 N ATOM 104 CA LYS A 10 -10.194 -11.299 2.548 1.00 0.00 C ATOM 105 C LYS A 10 -9.794 -10.089 3.394 1.00 0.00 C ATOM 106 O LYS A 10 -10.096 -10.033 4.585 1.00 0.00 O ATOM 107 CB LYS A 10 -11.185 -10.967 1.430 1.00 0.00 C ATOM 108 CG LYS A 10 -10.833 -11.717 0.144 1.00 0.00 C ATOM 109 CD LYS A 10 -11.152 -10.870 -1.090 1.00 0.00 C ATOM 110 CE LYS A 10 -12.191 -11.561 -1.975 1.00 0.00 C ATOM 111 NZ LYS A 10 -13.558 -11.149 -1.588 1.00 0.00 N ATOM 0 H LYS A 10 -11.462 -12.018 4.054 1.00 0.00 H new ATOM 0 HA LYS A 10 -9.291 -11.652 2.049 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -12.195 -11.231 1.744 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -11.180 -9.893 1.242 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -9.774 -11.976 0.148 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -11.390 -12.653 0.101 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -11.525 -9.894 -0.779 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -10.240 -10.696 -1.661 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -12.011 -11.310 -3.020 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -12.092 -12.643 -1.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -14.251 -11.627 -2.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -13.732 -11.410 -0.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -13.654 -10.119 -1.696 1.00 0.00 H new ATOM 125 N VAL A 11 -9.121 -9.150 2.746 1.00 0.00 N ATOM 126 CA VAL A 11 -8.676 -7.944 3.424 1.00 0.00 C ATOM 127 C VAL A 11 -8.679 -6.777 2.435 1.00 0.00 C ATOM 128 O VAL A 11 -8.309 -6.942 1.273 1.00 0.00 O ATOM 129 CB VAL A 11 -7.307 -8.180 4.066 1.00 0.00 C ATOM 130 CG1 VAL A 11 -7.389 -9.254 5.153 1.00 0.00 C ATOM 131 CG2 VAL A 11 -6.262 -8.547 3.011 1.00 0.00 C ATOM 0 H VAL A 11 -8.873 -9.200 1.758 1.00 0.00 H new ATOM 0 HA VAL A 11 -9.360 -7.686 4.233 1.00 0.00 H new ATOM 0 HB VAL A 11 -6.994 -7.249 4.538 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -6.403 -9.402 5.593 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -8.088 -8.936 5.927 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -7.735 -10.190 4.714 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -5.299 -8.709 3.494 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -6.568 -9.458 2.497 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -6.174 -7.735 2.289 1.00 0.00 H new ATOM 141 N SER A 12 -9.101 -5.624 2.932 1.00 0.00 N ATOM 142 CA SER A 12 -9.158 -4.429 2.106 1.00 0.00 C ATOM 143 C SER A 12 -8.134 -3.404 2.598 1.00 0.00 C ATOM 144 O SER A 12 -8.139 -3.029 3.769 1.00 0.00 O ATOM 145 CB SER A 12 -10.562 -3.821 2.112 1.00 0.00 C ATOM 146 OG SER A 12 -11.096 -3.724 3.429 1.00 0.00 O ATOM 0 H SER A 12 -9.407 -5.491 3.896 1.00 0.00 H new ATOM 0 HA SER A 12 -8.918 -4.710 1.081 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.530 -2.830 1.660 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.224 -4.431 1.497 1.00 0.00 H new ATOM 0 HG SER A 12 -10.404 -3.394 4.039 1.00 0.00 H new ATOM 152 N PHE A 13 -7.279 -2.981 1.678 1.00 0.00 N ATOM 153 CA PHE A 13 -6.252 -2.006 2.003 1.00 0.00 C ATOM 154 C PHE A 13 -6.701 -0.591 1.633 1.00 0.00 C ATOM 155 O PHE A 13 -6.929 -0.295 0.461 1.00 0.00 O ATOM 156 CB PHE A 13 -5.015 -2.369 1.178 1.00 0.00 C ATOM 157 CG PHE A 13 -4.795 -3.874 1.014 1.00 0.00 C ATOM 158 CD1 PHE A 13 -4.185 -4.583 2.000 1.00 0.00 C ATOM 159 CD2 PHE A 13 -5.210 -4.502 -0.119 1.00 0.00 C ATOM 160 CE1 PHE A 13 -3.981 -5.980 1.848 1.00 0.00 C ATOM 161 CE2 PHE A 13 -5.006 -5.899 -0.271 1.00 0.00 C ATOM 162 CZ PHE A 13 -4.396 -6.609 0.715 1.00 0.00 C ATOM 0 H PHE A 13 -7.277 -3.296 0.708 1.00 0.00 H new ATOM 0 HA PHE A 13 -6.047 -2.024 3.073 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -5.104 -1.916 0.191 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -4.135 -1.933 1.651 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -3.855 -4.084 2.899 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -5.694 -3.938 -0.903 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -3.496 -6.543 2.632 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -5.336 -6.398 -1.170 1.00 0.00 H new ATOM 0 HZ PHE A 13 -4.241 -7.672 0.599 1.00 0.00 H new ATOM 172 N LYS A 14 -6.813 0.245 2.654 1.00 0.00 N ATOM 173 CA LYS A 14 -7.231 1.622 2.451 1.00 0.00 C ATOM 174 C LYS A 14 -5.994 2.506 2.283 1.00 0.00 C ATOM 175 O LYS A 14 -5.399 2.941 3.268 1.00 0.00 O ATOM 176 CB LYS A 14 -8.160 2.073 3.580 1.00 0.00 C ATOM 177 CG LYS A 14 -9.266 2.986 3.049 1.00 0.00 C ATOM 178 CD LYS A 14 -9.590 4.096 4.051 1.00 0.00 C ATOM 179 CE LYS A 14 -10.952 4.725 3.751 1.00 0.00 C ATOM 180 NZ LYS A 14 -11.719 4.921 5.001 1.00 0.00 N ATOM 0 H LYS A 14 -6.622 -0.004 3.624 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.815 1.711 1.535 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -8.603 1.201 4.061 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.584 2.599 4.341 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -8.955 3.426 2.101 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.162 2.399 2.849 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -9.588 3.690 5.062 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -8.815 4.862 4.014 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -10.814 5.682 3.248 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -11.513 4.085 3.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -12.641 5.349 4.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -11.866 4.002 5.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -11.190 5.550 5.638 1.00 0.00 H new ATOM 194 N ILE A 15 -5.643 2.745 1.028 1.00 0.00 N ATOM 195 CA ILE A 15 -4.487 3.570 0.718 1.00 0.00 C ATOM 196 C ILE A 15 -4.957 4.887 0.097 1.00 0.00 C ATOM 197 O ILE A 15 -6.036 4.950 -0.490 1.00 0.00 O ATOM 198 CB ILE A 15 -3.496 2.797 -0.155 1.00 0.00 C ATOM 199 CG1 ILE A 15 -3.173 1.433 0.458 1.00 0.00 C ATOM 200 CG2 ILE A 15 -2.235 3.623 -0.415 1.00 0.00 C ATOM 201 CD1 ILE A 15 -3.433 0.306 -0.543 1.00 0.00 C ATOM 0 H ILE A 15 -6.139 2.382 0.214 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.944 3.823 1.629 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.964 2.612 -1.122 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.130 1.410 0.774 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.780 1.279 1.350 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.547 3.051 -1.038 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.504 4.547 -0.926 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.754 3.860 0.534 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.195 -0.652 -0.082 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.482 0.316 -0.838 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.807 0.450 -1.424 1.00 0.00 H new ATOM 213 N THR A 16 -4.123 5.906 0.248 1.00 0.00 N ATOM 214 CA THR A 16 -4.440 7.218 -0.291 1.00 0.00 C ATOM 215 C THR A 16 -3.229 7.800 -1.023 1.00 0.00 C ATOM 216 O THR A 16 -2.216 8.116 -0.400 1.00 0.00 O ATOM 217 CB THR A 16 -4.934 8.095 0.861 1.00 0.00 C ATOM 218 OG1 THR A 16 -6.273 7.660 1.080 1.00 0.00 O ATOM 219 CG2 THR A 16 -5.080 9.564 0.458 1.00 0.00 C ATOM 0 H THR A 16 -3.229 5.850 0.736 1.00 0.00 H new ATOM 0 HA THR A 16 -5.233 7.159 -1.036 1.00 0.00 H new ATOM 0 HB THR A 16 -4.242 8.016 1.699 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.669 8.176 1.813 1.00 0.00 H new ATOM 0 HG21 THR A 16 -5.433 10.142 1.312 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.114 9.950 0.133 1.00 0.00 H new ATOM 0 HG23 THR A 16 -5.797 9.648 -0.359 1.00 0.00 H new ATOM 227 N LEU A 17 -3.374 7.925 -2.334 1.00 0.00 N ATOM 228 CA LEU A 17 -2.305 8.464 -3.157 1.00 0.00 C ATOM 229 C LEU A 17 -1.995 9.894 -2.711 1.00 0.00 C ATOM 230 O LEU A 17 -2.907 10.687 -2.477 1.00 0.00 O ATOM 231 CB LEU A 17 -2.659 8.345 -4.640 1.00 0.00 C ATOM 232 CG LEU A 17 -1.776 9.138 -5.606 1.00 0.00 C ATOM 233 CD1 LEU A 17 -0.334 8.629 -5.574 1.00 0.00 C ATOM 234 CD2 LEU A 17 -2.358 9.121 -7.021 1.00 0.00 C ATOM 0 H LEU A 17 -4.216 7.662 -2.847 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.392 7.884 -3.024 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.616 7.293 -4.920 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.691 8.668 -4.774 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.758 10.177 -5.277 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.272 9.209 -6.269 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.067 8.736 -4.566 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.312 7.578 -5.864 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.711 9.692 -7.687 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.426 8.092 -7.374 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.352 9.567 -7.011 1.00 0.00 H new ATOM 246 N THR A 18 -0.706 10.181 -2.605 1.00 0.00 N ATOM 247 CA THR A 18 -0.265 11.502 -2.191 1.00 0.00 C ATOM 248 C THR A 18 0.645 12.118 -3.255 1.00 0.00 C ATOM 249 O THR A 18 1.827 11.788 -3.333 1.00 0.00 O ATOM 250 CB THR A 18 0.404 11.370 -0.822 1.00 0.00 C ATOM 251 OG1 THR A 18 1.478 10.460 -1.047 1.00 0.00 O ATOM 252 CG2 THR A 18 -0.484 10.653 0.197 1.00 0.00 C ATOM 0 H THR A 18 0.047 9.521 -2.799 1.00 0.00 H new ATOM 0 HA THR A 18 -1.107 12.187 -2.092 1.00 0.00 H new ATOM 0 HB THR A 18 0.661 12.361 -0.446 1.00 0.00 H new ATOM 0 HG1 THR A 18 1.913 10.672 -1.899 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.038 10.586 1.151 1.00 0.00 H new ATOM 0 HG22 THR A 18 -1.411 11.212 0.329 1.00 0.00 H new ATOM 0 HG23 THR A 18 -0.713 9.650 -0.162 1.00 0.00 H new ATOM 260 N SER A 19 0.060 13.004 -4.049 1.00 0.00 N ATOM 261 CA SER A 19 0.803 13.669 -5.105 1.00 0.00 C ATOM 262 C SER A 19 -0.122 14.603 -5.887 1.00 0.00 C ATOM 263 O SER A 19 0.291 15.685 -6.304 1.00 0.00 O ATOM 264 CB SER A 19 1.451 12.652 -6.047 1.00 0.00 C ATOM 265 OG SER A 19 0.565 11.585 -6.371 1.00 0.00 O ATOM 0 H SER A 19 -0.921 13.276 -3.981 1.00 0.00 H new ATOM 0 HA SER A 19 1.598 14.256 -4.646 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.764 13.154 -6.962 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.350 12.248 -5.581 1.00 0.00 H new ATOM 0 HG SER A 19 0.870 11.145 -7.192 1.00 0.00 H new ATOM 271 N ASP A 20 -1.355 14.152 -6.063 1.00 0.00 N ATOM 272 CA ASP A 20 -2.342 14.934 -6.788 1.00 0.00 C ATOM 273 C ASP A 20 -3.161 15.761 -5.795 1.00 0.00 C ATOM 274 O ASP A 20 -3.361 15.347 -4.654 1.00 0.00 O ATOM 275 CB ASP A 20 -3.305 14.029 -7.558 1.00 0.00 C ATOM 276 CG ASP A 20 -3.725 14.552 -8.933 1.00 0.00 C ATOM 277 OD1 ASP A 20 -2.883 15.223 -9.566 1.00 0.00 O ATOM 278 OD2 ASP A 20 -4.880 14.268 -9.319 1.00 0.00 O ATOM 0 H ASP A 20 -1.693 13.255 -5.716 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.812 15.577 -7.491 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.839 13.052 -7.685 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -4.200 13.879 -6.954 1.00 0.00 H new ATOM 283 N PRO A 21 -3.625 16.945 -6.277 1.00 0.00 N ATOM 284 CA PRO A 21 -4.418 17.833 -5.445 1.00 0.00 C ATOM 285 C PRO A 21 -5.843 17.302 -5.279 1.00 0.00 C ATOM 286 O PRO A 21 -6.809 18.003 -5.580 1.00 0.00 O ATOM 287 CB PRO A 21 -4.364 19.181 -6.145 1.00 0.00 C ATOM 288 CG PRO A 21 -3.935 18.892 -7.574 1.00 0.00 C ATOM 289 CD PRO A 21 -3.408 17.467 -7.623 1.00 0.00 C ATOM 0 HA PRO A 21 -4.033 17.912 -4.428 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -5.337 19.673 -6.121 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -3.657 19.849 -5.653 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -4.776 19.012 -8.257 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -3.165 19.595 -7.891 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -3.939 16.874 -8.368 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -2.352 17.444 -7.891 1.00 0.00 H new ATOM 297 N ARG A 22 -5.930 16.069 -4.802 1.00 0.00 N ATOM 298 CA ARG A 22 -7.221 15.437 -4.593 1.00 0.00 C ATOM 299 C ARG A 22 -7.129 14.400 -3.472 1.00 0.00 C ATOM 300 O ARG A 22 -7.992 14.348 -2.597 1.00 0.00 O ATOM 301 CB ARG A 22 -7.713 14.754 -5.871 1.00 0.00 C ATOM 302 CG ARG A 22 -8.221 15.783 -6.882 1.00 0.00 C ATOM 303 CD ARG A 22 -9.498 15.294 -7.569 1.00 0.00 C ATOM 304 NE ARG A 22 -10.147 16.413 -8.288 1.00 0.00 N ATOM 305 CZ ARG A 22 -11.132 16.260 -9.183 1.00 0.00 C ATOM 306 NH1 ARG A 22 -11.588 15.034 -9.475 1.00 0.00 N ATOM 307 NH2 ARG A 22 -11.661 17.333 -9.787 1.00 0.00 N ATOM 0 H ARG A 22 -5.127 15.491 -4.554 1.00 0.00 H new ATOM 0 HA ARG A 22 -7.931 16.216 -4.315 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -6.903 14.174 -6.313 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -8.511 14.053 -5.628 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -8.415 16.729 -6.377 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.452 15.973 -7.630 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -9.260 14.491 -8.267 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -10.183 14.880 -6.829 1.00 0.00 H new ATOM 0 HE ARG A 22 -9.824 17.360 -8.090 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -11.185 14.217 -9.016 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -12.338 14.918 -10.156 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -11.314 18.266 -9.565 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -12.411 17.217 -10.468 1.00 0.00 H new ATOM 321 N LEU A 23 -6.075 13.600 -3.535 1.00 0.00 N ATOM 322 CA LEU A 23 -5.859 12.567 -2.535 1.00 0.00 C ATOM 323 C LEU A 23 -6.948 11.501 -2.667 1.00 0.00 C ATOM 324 O LEU A 23 -7.752 11.314 -1.755 1.00 0.00 O ATOM 325 CB LEU A 23 -5.767 13.184 -1.138 1.00 0.00 C ATOM 326 CG LEU A 23 -4.357 13.495 -0.634 1.00 0.00 C ATOM 327 CD1 LEU A 23 -3.873 14.848 -1.160 1.00 0.00 C ATOM 328 CD2 LEU A 23 -4.291 13.417 0.893 1.00 0.00 C ATOM 0 H LEU A 23 -5.361 13.646 -4.262 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.904 12.069 -2.701 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.346 14.108 -1.132 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.243 12.505 -0.430 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.679 12.736 -1.025 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.868 15.045 -0.787 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.859 14.831 -2.250 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.547 15.633 -0.819 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.278 13.642 1.225 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.984 14.140 1.325 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.565 12.413 1.218 1.00 0.00 H new ATOM 340 N PRO A 24 -6.939 10.811 -3.839 1.00 0.00 N ATOM 341 CA PRO A 24 -7.916 9.768 -4.101 1.00 0.00 C ATOM 342 C PRO A 24 -7.589 8.499 -3.312 1.00 0.00 C ATOM 343 O PRO A 24 -6.420 8.188 -3.086 1.00 0.00 O ATOM 344 CB PRO A 24 -7.874 9.559 -5.606 1.00 0.00 C ATOM 345 CG PRO A 24 -6.556 10.155 -6.073 1.00 0.00 C ATOM 346 CD PRO A 24 -6.002 11.005 -4.941 1.00 0.00 C ATOM 0 HA PRO A 24 -8.920 10.042 -3.778 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -7.933 8.499 -5.855 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -8.718 10.049 -6.092 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -5.852 9.366 -6.337 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -6.706 10.760 -6.967 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -4.996 10.690 -4.665 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.940 12.055 -5.228 1.00 0.00 H new ATOM 354 N TYR A 25 -8.642 7.800 -2.914 1.00 0.00 N ATOM 355 CA TYR A 25 -8.481 6.572 -2.154 1.00 0.00 C ATOM 356 C TYR A 25 -9.201 5.407 -2.837 1.00 0.00 C ATOM 357 O TYR A 25 -10.212 5.606 -3.509 1.00 0.00 O ATOM 358 CB TYR A 25 -9.129 6.829 -0.793 1.00 0.00 C ATOM 359 CG TYR A 25 -10.657 6.745 -0.805 1.00 0.00 C ATOM 360 CD1 TYR A 25 -11.409 7.874 -1.062 1.00 0.00 C ATOM 361 CD2 TYR A 25 -11.283 5.540 -0.560 1.00 0.00 C ATOM 362 CE1 TYR A 25 -12.846 7.794 -1.074 1.00 0.00 C ATOM 363 CE2 TYR A 25 -12.721 5.460 -0.572 1.00 0.00 C ATOM 364 CZ TYR A 25 -13.432 6.591 -0.828 1.00 0.00 C ATOM 365 OH TYR A 25 -14.790 6.516 -0.839 1.00 0.00 O ATOM 0 H TYR A 25 -9.610 8.061 -3.104 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.427 6.308 -2.071 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -8.741 6.106 -0.075 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -8.832 7.817 -0.442 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -10.919 8.817 -1.254 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -10.695 4.657 -0.359 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -13.446 8.670 -1.274 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -13.223 4.523 -0.382 1.00 0.00 H new ATOM 0 HH TYR A 25 -15.068 5.596 -0.649 1.00 0.00 H new ATOM 375 N LYS A 26 -8.652 4.217 -2.640 1.00 0.00 N ATOM 376 CA LYS A 26 -9.230 3.020 -3.229 1.00 0.00 C ATOM 377 C LYS A 26 -8.871 1.809 -2.365 1.00 0.00 C ATOM 378 O LYS A 26 -7.719 1.646 -1.966 1.00 0.00 O ATOM 379 CB LYS A 26 -8.802 2.882 -4.691 1.00 0.00 C ATOM 380 CG LYS A 26 -7.328 2.485 -4.795 1.00 0.00 C ATOM 381 CD LYS A 26 -7.181 0.983 -5.049 1.00 0.00 C ATOM 382 CE LYS A 26 -5.717 0.608 -5.289 1.00 0.00 C ATOM 383 NZ LYS A 26 -5.041 0.310 -4.007 1.00 0.00 N ATOM 0 H LYS A 26 -7.814 4.056 -2.081 1.00 0.00 H new ATOM 0 HA LYS A 26 -10.318 3.089 -3.246 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.420 2.133 -5.186 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -8.966 3.825 -5.212 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -6.854 3.042 -5.603 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -6.809 2.754 -3.875 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -7.567 0.427 -4.195 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -7.780 0.696 -5.913 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -5.661 -0.259 -5.947 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -5.204 1.426 -5.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -4.408 -0.506 -4.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -4.486 1.137 -3.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -5.753 0.089 -3.282 1.00 0.00 H new ATOM 397 N VAL A 27 -9.879 0.990 -2.103 1.00 0.00 N ATOM 398 CA VAL A 27 -9.685 -0.201 -1.295 1.00 0.00 C ATOM 399 C VAL A 27 -9.522 -1.414 -2.213 1.00 0.00 C ATOM 400 O VAL A 27 -10.368 -1.666 -3.071 1.00 0.00 O ATOM 401 CB VAL A 27 -10.838 -0.354 -0.301 1.00 0.00 C ATOM 402 CG1 VAL A 27 -10.944 0.872 0.609 1.00 0.00 C ATOM 403 CG2 VAL A 27 -12.159 -0.611 -1.029 1.00 0.00 C ATOM 0 H VAL A 27 -10.833 1.128 -2.436 1.00 0.00 H new ATOM 0 HA VAL A 27 -8.774 -0.116 -0.703 1.00 0.00 H new ATOM 0 HB VAL A 27 -10.627 -1.220 0.326 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -11.771 0.737 1.306 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -10.015 0.992 1.167 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -11.121 1.761 0.003 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -12.962 -0.716 -0.299 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.378 0.226 -1.692 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -12.079 -1.527 -1.615 1.00 0.00 H new ATOM 413 N LEU A 28 -8.430 -2.134 -2.002 1.00 0.00 N ATOM 414 CA LEU A 28 -8.147 -3.315 -2.800 1.00 0.00 C ATOM 415 C LEU A 28 -8.512 -4.566 -1.999 1.00 0.00 C ATOM 416 O LEU A 28 -8.005 -4.773 -0.897 1.00 0.00 O ATOM 417 CB LEU A 28 -6.696 -3.298 -3.285 1.00 0.00 C ATOM 418 CG LEU A 28 -6.495 -3.360 -4.800 1.00 0.00 C ATOM 419 CD1 LEU A 28 -5.054 -3.007 -5.177 1.00 0.00 C ATOM 420 CD2 LEU A 28 -6.914 -4.724 -5.353 1.00 0.00 C ATOM 0 H LEU A 28 -7.731 -1.922 -1.290 1.00 0.00 H new ATOM 0 HA LEU A 28 -8.761 -3.322 -3.701 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -6.220 -2.391 -2.912 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.173 -4.141 -2.834 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.141 -2.613 -5.261 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.938 -3.059 -6.260 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.825 -1.997 -4.835 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.371 -3.713 -4.705 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.761 -4.742 -6.432 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.312 -5.505 -4.888 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.967 -4.898 -5.133 1.00 0.00 H new ATOM 432 N SER A 29 -9.389 -5.369 -2.584 1.00 0.00 N ATOM 433 CA SER A 29 -9.828 -6.595 -1.938 1.00 0.00 C ATOM 434 C SER A 29 -9.032 -7.785 -2.479 1.00 0.00 C ATOM 435 O SER A 29 -8.993 -8.013 -3.687 1.00 0.00 O ATOM 436 CB SER A 29 -11.327 -6.820 -2.147 1.00 0.00 C ATOM 437 OG SER A 29 -11.622 -7.260 -3.470 1.00 0.00 O ATOM 0 H SER A 29 -9.807 -5.195 -3.498 1.00 0.00 H new ATOM 0 HA SER A 29 -9.647 -6.502 -0.867 1.00 0.00 H new ATOM 0 HB2 SER A 29 -11.686 -7.559 -1.431 1.00 0.00 H new ATOM 0 HB3 SER A 29 -11.864 -5.893 -1.945 1.00 0.00 H new ATOM 0 HG SER A 29 -10.796 -7.551 -3.910 1.00 0.00 H new ATOM 443 N VAL A 30 -8.417 -8.512 -1.557 1.00 0.00 N ATOM 444 CA VAL A 30 -7.625 -9.673 -1.926 1.00 0.00 C ATOM 445 C VAL A 30 -7.624 -10.673 -0.768 1.00 0.00 C ATOM 446 O VAL A 30 -7.884 -10.304 0.376 1.00 0.00 O ATOM 447 CB VAL A 30 -6.218 -9.236 -2.339 1.00 0.00 C ATOM 448 CG1 VAL A 30 -6.272 -8.031 -3.280 1.00 0.00 C ATOM 449 CG2 VAL A 30 -5.355 -8.935 -1.112 1.00 0.00 C ATOM 0 H VAL A 30 -8.451 -8.319 -0.556 1.00 0.00 H new ATOM 0 HA VAL A 30 -8.062 -10.175 -2.789 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.756 -10.062 -2.879 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.259 -7.741 -3.558 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.833 -8.294 -4.177 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -6.763 -7.198 -2.777 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.360 -8.627 -1.434 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.814 -8.134 -0.532 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.276 -9.830 -0.495 1.00 0.00 H new ATOM 459 N PRO A 31 -7.322 -11.953 -1.115 1.00 0.00 N ATOM 460 CA PRO A 31 -7.284 -13.009 -0.117 1.00 0.00 C ATOM 461 C PRO A 31 -6.022 -12.907 0.742 1.00 0.00 C ATOM 462 O PRO A 31 -4.925 -12.715 0.220 1.00 0.00 O ATOM 463 CB PRO A 31 -7.358 -14.303 -0.912 1.00 0.00 C ATOM 464 CG PRO A 31 -6.967 -13.941 -2.335 1.00 0.00 C ATOM 465 CD PRO A 31 -7.009 -12.427 -2.460 1.00 0.00 C ATOM 0 HA PRO A 31 -8.107 -12.946 0.594 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -6.683 -15.053 -0.500 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -8.362 -14.725 -0.878 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -5.969 -14.315 -2.563 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -7.651 -14.402 -3.048 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -6.054 -12.032 -2.807 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -7.765 -12.110 -3.178 1.00 0.00 H new ATOM 473 N GLU A 32 -6.221 -13.039 2.046 1.00 0.00 N ATOM 474 CA GLU A 32 -5.113 -12.964 2.983 1.00 0.00 C ATOM 475 C GLU A 32 -3.891 -13.692 2.419 1.00 0.00 C ATOM 476 O GLU A 32 -2.818 -13.103 2.290 1.00 0.00 O ATOM 477 CB GLU A 32 -5.509 -13.532 4.347 1.00 0.00 C ATOM 478 CG GLU A 32 -6.601 -12.682 4.999 1.00 0.00 C ATOM 479 CD GLU A 32 -6.604 -12.865 6.518 1.00 0.00 C ATOM 480 OE1 GLU A 32 -5.521 -13.186 7.053 1.00 0.00 O ATOM 481 OE2 GLU A 32 -7.690 -12.681 7.110 1.00 0.00 O ATOM 0 H GLU A 32 -7.133 -13.197 2.475 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.853 -11.915 3.125 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.862 -14.556 4.230 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.635 -13.569 4.997 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.443 -11.631 4.756 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.574 -12.960 4.594 1.00 0.00 H new ATOM 488 N SER A 33 -4.094 -14.961 2.099 1.00 0.00 N ATOM 489 CA SER A 33 -3.022 -15.775 1.552 1.00 0.00 C ATOM 490 C SER A 33 -2.135 -14.928 0.637 1.00 0.00 C ATOM 491 O SER A 33 -0.954 -14.730 0.920 1.00 0.00 O ATOM 492 CB SER A 33 -3.578 -16.977 0.786 1.00 0.00 C ATOM 493 OG SER A 33 -3.153 -18.214 1.352 1.00 0.00 O ATOM 0 H SER A 33 -4.985 -15.446 2.208 1.00 0.00 H new ATOM 0 HA SER A 33 -2.423 -16.152 2.381 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.667 -16.934 0.785 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.256 -16.925 -0.254 1.00 0.00 H new ATOM 0 HG SER A 33 -3.530 -18.957 0.836 1.00 0.00 H new ATOM 499 N THR A 34 -2.738 -14.450 -0.441 1.00 0.00 N ATOM 500 CA THR A 34 -2.018 -13.628 -1.399 1.00 0.00 C ATOM 501 C THR A 34 -1.069 -12.672 -0.674 1.00 0.00 C ATOM 502 O THR A 34 -1.407 -12.137 0.381 1.00 0.00 O ATOM 503 CB THR A 34 -3.048 -12.913 -2.277 1.00 0.00 C ATOM 504 OG1 THR A 34 -3.428 -13.896 -3.236 1.00 0.00 O ATOM 505 CG2 THR A 34 -2.426 -11.795 -3.116 1.00 0.00 C ATOM 0 H THR A 34 -3.717 -14.616 -0.673 1.00 0.00 H new ATOM 0 HA THR A 34 -1.385 -14.236 -2.045 1.00 0.00 H new ATOM 0 HB THR A 34 -3.837 -12.499 -1.648 1.00 0.00 H new ATOM 0 HG1 THR A 34 -4.096 -13.518 -3.845 1.00 0.00 H new ATOM 0 HG21 THR A 34 -3.199 -11.320 -3.720 1.00 0.00 H new ATOM 0 HG22 THR A 34 -1.974 -11.054 -2.457 1.00 0.00 H new ATOM 0 HG23 THR A 34 -1.661 -12.213 -3.770 1.00 0.00 H new ATOM 513 N PRO A 35 0.131 -12.481 -1.285 1.00 0.00 N ATOM 514 CA PRO A 35 1.132 -11.598 -0.710 1.00 0.00 C ATOM 515 C PRO A 35 0.753 -10.131 -0.917 1.00 0.00 C ATOM 516 O PRO A 35 -0.030 -9.808 -1.810 1.00 0.00 O ATOM 517 CB PRO A 35 2.433 -11.979 -1.396 1.00 0.00 C ATOM 518 CG PRO A 35 2.036 -12.732 -2.655 1.00 0.00 C ATOM 519 CD PRO A 35 0.565 -13.097 -2.535 1.00 0.00 C ATOM 0 HA PRO A 35 1.220 -11.709 0.371 1.00 0.00 H new ATOM 0 HB2 PRO A 35 3.020 -11.093 -1.639 1.00 0.00 H new ATOM 0 HB3 PRO A 35 3.049 -12.601 -0.747 1.00 0.00 H new ATOM 0 HG2 PRO A 35 2.206 -12.116 -3.538 1.00 0.00 H new ATOM 0 HG3 PRO A 35 2.644 -13.629 -2.771 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.007 -12.719 -3.382 1.00 0.00 H new ATOM 0 HD3 PRO A 35 0.426 -14.178 -2.513 1.00 0.00 H new ATOM 527 N PHE A 36 1.326 -9.280 -0.078 1.00 0.00 N ATOM 528 CA PHE A 36 1.059 -7.854 -0.159 1.00 0.00 C ATOM 529 C PHE A 36 1.963 -7.184 -1.195 1.00 0.00 C ATOM 530 O PHE A 36 1.750 -6.028 -1.556 1.00 0.00 O ATOM 531 CB PHE A 36 1.359 -7.264 1.220 1.00 0.00 C ATOM 532 CG PHE A 36 0.529 -6.025 1.561 1.00 0.00 C ATOM 533 CD1 PHE A 36 0.796 -4.839 0.951 1.00 0.00 C ATOM 534 CD2 PHE A 36 -0.475 -6.109 2.475 1.00 0.00 C ATOM 535 CE1 PHE A 36 0.025 -3.689 1.268 1.00 0.00 C ATOM 536 CE2 PHE A 36 -1.245 -4.959 2.791 1.00 0.00 C ATOM 537 CZ PHE A 36 -0.979 -3.773 2.181 1.00 0.00 C ATOM 0 H PHE A 36 1.974 -9.551 0.661 1.00 0.00 H new ATOM 0 HA PHE A 36 0.024 -7.686 -0.457 1.00 0.00 H new ATOM 0 HB2 PHE A 36 1.181 -8.028 1.977 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.417 -7.005 1.271 1.00 0.00 H new ATOM 0 HD1 PHE A 36 1.594 -4.772 0.226 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.686 -7.050 2.960 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.236 -2.747 0.783 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.042 -5.026 3.516 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.565 -2.898 2.422 1.00 0.00 H new ATOM 547 N THR A 37 2.954 -7.940 -1.645 1.00 0.00 N ATOM 548 CA THR A 37 3.892 -7.434 -2.633 1.00 0.00 C ATOM 549 C THR A 37 3.163 -7.088 -3.933 1.00 0.00 C ATOM 550 O THR A 37 3.534 -6.141 -4.624 1.00 0.00 O ATOM 551 CB THR A 37 4.996 -8.477 -2.815 1.00 0.00 C ATOM 552 OG1 THR A 37 6.062 -7.752 -3.423 1.00 0.00 O ATOM 553 CG2 THR A 37 4.631 -9.542 -3.851 1.00 0.00 C ATOM 0 H THR A 37 3.128 -8.899 -1.344 1.00 0.00 H new ATOM 0 HA THR A 37 4.354 -6.505 -2.299 1.00 0.00 H new ATOM 0 HB THR A 37 5.202 -8.957 -1.858 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.821 -8.353 -3.575 1.00 0.00 H new ATOM 0 HG21 THR A 37 5.449 -10.257 -3.941 1.00 0.00 H new ATOM 0 HG22 THR A 37 3.727 -10.062 -3.535 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.457 -9.066 -4.816 1.00 0.00 H new ATOM 561 N ALA A 38 2.138 -7.875 -4.226 1.00 0.00 N ATOM 562 CA ALA A 38 1.353 -7.665 -5.431 1.00 0.00 C ATOM 563 C ALA A 38 0.511 -6.398 -5.271 1.00 0.00 C ATOM 564 O ALA A 38 0.734 -5.407 -5.965 1.00 0.00 O ATOM 565 CB ALA A 38 0.497 -8.903 -5.706 1.00 0.00 C ATOM 0 H ALA A 38 1.833 -8.659 -3.650 1.00 0.00 H new ATOM 0 HA ALA A 38 2.004 -7.522 -6.293 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -0.092 -8.745 -6.610 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.144 -9.770 -5.841 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -0.172 -9.077 -4.863 1.00 0.00 H new ATOM 571 N VAL A 39 -0.440 -6.470 -4.351 1.00 0.00 N ATOM 572 CA VAL A 39 -1.317 -5.341 -4.091 1.00 0.00 C ATOM 573 C VAL A 39 -0.526 -4.040 -4.244 1.00 0.00 C ATOM 574 O VAL A 39 -0.986 -3.103 -4.893 1.00 0.00 O ATOM 575 CB VAL A 39 -1.964 -5.488 -2.712 1.00 0.00 C ATOM 576 CG1 VAL A 39 -0.926 -5.877 -1.658 1.00 0.00 C ATOM 577 CG2 VAL A 39 -2.699 -4.207 -2.312 1.00 0.00 C ATOM 0 H VAL A 39 -0.622 -7.293 -3.776 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.130 -5.314 -4.816 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.699 -6.291 -2.770 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.412 -5.975 -0.687 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.468 -6.827 -1.932 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.157 -5.106 -1.603 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.150 -4.338 -1.328 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.993 -3.377 -2.280 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.479 -3.992 -3.043 1.00 0.00 H new ATOM 587 N LEU A 40 0.651 -4.026 -3.634 1.00 0.00 N ATOM 588 CA LEU A 40 1.510 -2.855 -3.695 1.00 0.00 C ATOM 589 C LEU A 40 1.514 -2.304 -5.122 1.00 0.00 C ATOM 590 O LEU A 40 1.088 -1.174 -5.356 1.00 0.00 O ATOM 591 CB LEU A 40 2.905 -3.187 -3.160 1.00 0.00 C ATOM 592 CG LEU A 40 4.067 -2.429 -3.804 1.00 0.00 C ATOM 593 CD1 LEU A 40 3.884 -0.917 -3.659 1.00 0.00 C ATOM 594 CD2 LEU A 40 5.409 -2.900 -3.239 1.00 0.00 C ATOM 0 H LEU A 40 1.029 -4.806 -3.096 1.00 0.00 H new ATOM 0 HA LEU A 40 1.125 -2.065 -3.050 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.918 -2.990 -2.088 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.078 -4.255 -3.290 1.00 0.00 H new ATOM 0 HG LEU A 40 4.070 -2.652 -4.871 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.724 -0.402 -4.125 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.957 -0.614 -4.146 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.840 -0.656 -2.602 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.218 -2.345 -3.714 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.432 -2.726 -2.163 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.534 -3.965 -3.437 1.00 0.00 H new ATOM 606 N LYS A 41 1.999 -3.128 -6.040 1.00 0.00 N ATOM 607 CA LYS A 41 2.063 -2.737 -7.437 1.00 0.00 C ATOM 608 C LYS A 41 0.648 -2.470 -7.954 1.00 0.00 C ATOM 609 O LYS A 41 0.362 -1.387 -8.462 1.00 0.00 O ATOM 610 CB LYS A 41 2.828 -3.782 -8.252 1.00 0.00 C ATOM 611 CG LYS A 41 4.243 -3.977 -7.703 1.00 0.00 C ATOM 612 CD LYS A 41 4.910 -5.203 -8.330 1.00 0.00 C ATOM 613 CE LYS A 41 6.066 -4.790 -9.243 1.00 0.00 C ATOM 614 NZ LYS A 41 7.294 -4.556 -8.451 1.00 0.00 N ATOM 0 H LYS A 41 2.351 -4.065 -5.843 1.00 0.00 H new ATOM 0 HA LYS A 41 2.623 -1.808 -7.546 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.291 -4.730 -8.229 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.879 -3.469 -9.295 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.841 -3.089 -7.906 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.204 -4.094 -6.620 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.280 -5.862 -7.545 1.00 0.00 H new ATOM 0 HD3 LYS A 41 4.175 -5.769 -8.902 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.247 -5.568 -9.985 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.800 -3.885 -9.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.069 -4.277 -9.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.122 -3.798 -7.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.555 -5.429 -7.950 1.00 0.00 H new ATOM 628 N PHE A 42 -0.201 -3.476 -7.806 1.00 0.00 N ATOM 629 CA PHE A 42 -1.580 -3.364 -8.251 1.00 0.00 C ATOM 630 C PHE A 42 -2.159 -1.992 -7.899 1.00 0.00 C ATOM 631 O PHE A 42 -2.657 -1.282 -8.772 1.00 0.00 O ATOM 632 CB PHE A 42 -2.376 -4.445 -7.517 1.00 0.00 C ATOM 633 CG PHE A 42 -3.710 -4.792 -8.180 1.00 0.00 C ATOM 634 CD1 PHE A 42 -4.627 -3.816 -8.418 1.00 0.00 C ATOM 635 CD2 PHE A 42 -3.980 -6.078 -8.532 1.00 0.00 C ATOM 636 CE1 PHE A 42 -5.865 -4.139 -9.033 1.00 0.00 C ATOM 637 CE2 PHE A 42 -5.219 -6.401 -9.147 1.00 0.00 C ATOM 638 CZ PHE A 42 -6.135 -5.424 -9.385 1.00 0.00 C ATOM 0 H PHE A 42 0.039 -4.373 -7.384 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.633 -3.484 -9.333 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -1.769 -5.348 -7.451 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -2.565 -4.113 -6.496 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -4.413 -2.795 -8.139 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -3.252 -6.853 -8.344 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -6.593 -3.364 -9.221 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -5.434 -7.422 -9.426 1.00 0.00 H new ATOM 0 HZ PHE A 42 -7.077 -5.669 -9.854 1.00 0.00 H new ATOM 648 N ALA A 43 -2.077 -1.661 -6.619 1.00 0.00 N ATOM 649 CA ALA A 43 -2.587 -0.388 -6.141 1.00 0.00 C ATOM 650 C ALA A 43 -2.240 0.707 -7.152 1.00 0.00 C ATOM 651 O ALA A 43 -3.131 1.336 -7.721 1.00 0.00 O ATOM 652 CB ALA A 43 -2.018 -0.099 -4.750 1.00 0.00 C ATOM 0 H ALA A 43 -1.665 -2.253 -5.898 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.673 -0.420 -6.048 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.401 0.856 -4.392 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.317 -0.891 -4.063 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.930 -0.057 -4.803 1.00 0.00 H new ATOM 658 N ALA A 44 -0.944 0.902 -7.344 1.00 0.00 N ATOM 659 CA ALA A 44 -0.469 1.910 -8.276 1.00 0.00 C ATOM 660 C ALA A 44 -1.343 1.890 -9.532 1.00 0.00 C ATOM 661 O ALA A 44 -2.023 2.869 -9.835 1.00 0.00 O ATOM 662 CB ALA A 44 1.008 1.661 -8.589 1.00 0.00 C ATOM 0 H ALA A 44 -0.208 0.379 -6.870 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.546 2.905 -7.837 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.364 2.417 -9.288 1.00 0.00 H new ATOM 0 HB2 ALA A 44 1.589 1.715 -7.668 1.00 0.00 H new ATOM 0 HB3 ALA A 44 1.124 0.673 -9.033 1.00 0.00 H new ATOM 668 N GLU A 45 -1.296 0.764 -10.228 1.00 0.00 N ATOM 669 CA GLU A 45 -2.075 0.604 -11.444 1.00 0.00 C ATOM 670 C GLU A 45 -3.504 1.108 -11.230 1.00 0.00 C ATOM 671 O GLU A 45 -4.096 1.706 -12.126 1.00 0.00 O ATOM 672 CB GLU A 45 -2.072 -0.854 -11.909 1.00 0.00 C ATOM 673 CG GLU A 45 -0.670 -1.290 -12.337 1.00 0.00 C ATOM 674 CD GLU A 45 -0.737 -2.323 -13.464 1.00 0.00 C ATOM 675 OE1 GLU A 45 -1.304 -3.407 -13.207 1.00 0.00 O ATOM 676 OE2 GLU A 45 -0.219 -2.006 -14.556 1.00 0.00 O ATOM 0 H GLU A 45 -0.731 -0.046 -9.973 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.613 1.203 -12.229 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.427 -1.497 -11.103 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.765 -0.975 -12.742 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.101 -0.422 -12.668 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.140 -1.712 -11.483 1.00 0.00 H new ATOM 683 N GLU A 46 -4.016 0.847 -10.036 1.00 0.00 N ATOM 684 CA GLU A 46 -5.364 1.267 -9.692 1.00 0.00 C ATOM 685 C GLU A 46 -5.440 2.793 -9.608 1.00 0.00 C ATOM 686 O GLU A 46 -6.441 3.391 -10.000 1.00 0.00 O ATOM 687 CB GLU A 46 -5.822 0.623 -8.382 1.00 0.00 C ATOM 688 CG GLU A 46 -6.967 -0.362 -8.627 1.00 0.00 C ATOM 689 CD GLU A 46 -8.316 0.360 -8.648 1.00 0.00 C ATOM 690 OE1 GLU A 46 -8.410 1.366 -9.385 1.00 0.00 O ATOM 691 OE2 GLU A 46 -9.223 -0.110 -7.928 1.00 0.00 O ATOM 0 H GLU A 46 -3.522 0.350 -9.295 1.00 0.00 H new ATOM 0 HA GLU A 46 -6.039 0.932 -10.479 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.985 0.104 -7.915 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -6.146 1.397 -7.686 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.812 -0.877 -9.575 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.970 -1.123 -7.847 1.00 0.00 H new ATOM 698 N PHE A 47 -4.368 3.379 -9.095 1.00 0.00 N ATOM 699 CA PHE A 47 -4.300 4.824 -8.955 1.00 0.00 C ATOM 700 C PHE A 47 -3.686 5.468 -10.200 1.00 0.00 C ATOM 701 O PHE A 47 -3.500 6.683 -10.247 1.00 0.00 O ATOM 702 CB PHE A 47 -3.403 5.115 -7.750 1.00 0.00 C ATOM 703 CG PHE A 47 -4.112 4.981 -6.400 1.00 0.00 C ATOM 704 CD1 PHE A 47 -5.120 5.833 -6.074 1.00 0.00 C ATOM 705 CD2 PHE A 47 -3.733 4.010 -5.526 1.00 0.00 C ATOM 706 CE1 PHE A 47 -5.778 5.709 -4.822 1.00 0.00 C ATOM 707 CE2 PHE A 47 -4.390 3.886 -4.274 1.00 0.00 C ATOM 708 CZ PHE A 47 -5.399 4.738 -3.948 1.00 0.00 C ATOM 0 H PHE A 47 -3.540 2.880 -8.771 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.302 5.232 -8.825 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -2.552 4.435 -7.771 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -3.006 6.126 -7.841 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -5.420 6.604 -6.768 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -2.932 3.333 -5.785 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -6.579 6.385 -4.564 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -4.089 3.115 -3.580 1.00 0.00 H new ATOM 0 HZ PHE A 47 -5.899 4.644 -2.995 1.00 0.00 H new ATOM 718 N LYS A 48 -3.388 4.624 -11.177 1.00 0.00 N ATOM 719 CA LYS A 48 -2.799 5.095 -12.419 1.00 0.00 C ATOM 720 C LYS A 48 -1.433 5.718 -12.126 1.00 0.00 C ATOM 721 O LYS A 48 -1.261 6.931 -12.241 1.00 0.00 O ATOM 722 CB LYS A 48 -3.761 6.038 -13.145 1.00 0.00 C ATOM 723 CG LYS A 48 -4.808 5.250 -13.936 1.00 0.00 C ATOM 724 CD LYS A 48 -4.438 5.183 -15.419 1.00 0.00 C ATOM 725 CE LYS A 48 -5.689 5.214 -16.298 1.00 0.00 C ATOM 726 NZ LYS A 48 -5.644 6.368 -17.224 1.00 0.00 N ATOM 0 H LYS A 48 -3.543 3.617 -11.134 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.631 4.261 -13.101 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.257 6.685 -12.421 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -3.201 6.685 -13.820 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.891 4.241 -13.532 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.785 5.720 -13.822 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.789 6.021 -15.674 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.873 4.272 -15.616 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.764 4.287 -16.866 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.579 5.277 -15.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.501 6.374 -17.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.594 7.251 -16.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.805 6.291 -17.834 1.00 0.00 H new ATOM 740 N VAL A 49 -0.495 4.860 -11.752 1.00 0.00 N ATOM 741 CA VAL A 49 0.851 5.311 -11.442 1.00 0.00 C ATOM 742 C VAL A 49 1.821 4.134 -11.570 1.00 0.00 C ATOM 743 O VAL A 49 1.402 2.978 -11.575 1.00 0.00 O ATOM 744 CB VAL A 49 0.879 5.960 -10.057 1.00 0.00 C ATOM 745 CG1 VAL A 49 0.550 7.452 -10.144 1.00 0.00 C ATOM 746 CG2 VAL A 49 -0.072 5.244 -9.096 1.00 0.00 C ATOM 0 H VAL A 49 -0.641 3.855 -11.657 1.00 0.00 H new ATOM 0 HA VAL A 49 1.171 6.075 -12.151 1.00 0.00 H new ATOM 0 HB VAL A 49 1.890 5.862 -9.662 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.577 7.889 -9.146 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.284 7.950 -10.778 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.445 7.581 -10.570 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.033 5.726 -8.119 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.089 5.295 -9.485 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.227 4.200 -8.998 1.00 0.00 H new ATOM 756 N PRO A 50 3.132 4.479 -11.673 1.00 0.00 N ATOM 757 CA PRO A 50 4.165 3.465 -11.800 1.00 0.00 C ATOM 758 C PRO A 50 4.417 2.767 -10.462 1.00 0.00 C ATOM 759 O PRO A 50 4.773 3.414 -9.478 1.00 0.00 O ATOM 760 CB PRO A 50 5.384 4.208 -12.322 1.00 0.00 C ATOM 761 CG PRO A 50 5.134 5.678 -12.027 1.00 0.00 C ATOM 762 CD PRO A 50 3.665 5.838 -11.670 1.00 0.00 C ATOM 0 HA PRO A 50 3.884 2.661 -12.480 1.00 0.00 H new ATOM 0 HB2 PRO A 50 6.293 3.860 -11.831 1.00 0.00 H new ATOM 0 HB3 PRO A 50 5.515 4.041 -13.391 1.00 0.00 H new ATOM 0 HG2 PRO A 50 5.766 6.015 -11.205 1.00 0.00 H new ATOM 0 HG3 PRO A 50 5.385 6.289 -12.894 1.00 0.00 H new ATOM 0 HD2 PRO A 50 3.544 6.309 -10.694 1.00 0.00 H new ATOM 0 HD3 PRO A 50 3.148 6.468 -12.394 1.00 0.00 H new ATOM 770 N ALA A 51 4.223 1.457 -10.468 1.00 0.00 N ATOM 771 CA ALA A 51 4.425 0.665 -9.267 1.00 0.00 C ATOM 772 C ALA A 51 5.922 0.411 -9.074 1.00 0.00 C ATOM 773 O ALA A 51 6.417 0.424 -7.948 1.00 0.00 O ATOM 774 CB ALA A 51 3.623 -0.634 -9.370 1.00 0.00 C ATOM 0 H ALA A 51 3.928 0.924 -11.286 1.00 0.00 H new ATOM 0 HA ALA A 51 4.065 1.202 -8.389 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.775 -1.228 -8.469 1.00 0.00 H new ATOM 0 HB2 ALA A 51 2.564 -0.400 -9.476 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.958 -1.201 -10.239 1.00 0.00 H new ATOM 780 N ALA A 52 6.600 0.188 -10.189 1.00 0.00 N ATOM 781 CA ALA A 52 8.030 -0.068 -10.157 1.00 0.00 C ATOM 782 C ALA A 52 8.712 0.981 -9.276 1.00 0.00 C ATOM 783 O ALA A 52 9.614 0.658 -8.506 1.00 0.00 O ATOM 784 CB ALA A 52 8.580 -0.076 -11.585 1.00 0.00 C ATOM 0 H ALA A 52 6.186 0.179 -11.121 1.00 0.00 H new ATOM 0 HA ALA A 52 8.235 -1.047 -9.723 1.00 0.00 H new ATOM 0 HB1 ALA A 52 9.653 -0.268 -11.561 1.00 0.00 H new ATOM 0 HB2 ALA A 52 8.084 -0.857 -12.161 1.00 0.00 H new ATOM 0 HB3 ALA A 52 8.395 0.892 -12.052 1.00 0.00 H new ATOM 790 N THR A 53 8.254 2.216 -9.420 1.00 0.00 N ATOM 791 CA THR A 53 8.808 3.315 -8.647 1.00 0.00 C ATOM 792 C THR A 53 7.834 3.736 -7.545 1.00 0.00 C ATOM 793 O THR A 53 7.606 4.927 -7.335 1.00 0.00 O ATOM 794 CB THR A 53 9.156 4.446 -9.616 1.00 0.00 C ATOM 795 OG1 THR A 53 7.925 4.729 -10.276 1.00 0.00 O ATOM 796 CG2 THR A 53 10.085 3.988 -10.742 1.00 0.00 C ATOM 0 H THR A 53 7.505 2.480 -10.061 1.00 0.00 H new ATOM 0 HA THR A 53 9.721 3.016 -8.133 1.00 0.00 H new ATOM 0 HB THR A 53 9.626 5.262 -9.067 1.00 0.00 H new ATOM 0 HG1 THR A 53 8.059 5.453 -10.922 1.00 0.00 H new ATOM 0 HG21 THR A 53 10.300 4.829 -11.401 1.00 0.00 H new ATOM 0 HG22 THR A 53 11.016 3.613 -10.316 1.00 0.00 H new ATOM 0 HG23 THR A 53 9.602 3.195 -11.312 1.00 0.00 H new ATOM 804 N SER A 54 7.284 2.737 -6.871 1.00 0.00 N ATOM 805 CA SER A 54 6.340 2.989 -5.796 1.00 0.00 C ATOM 806 C SER A 54 6.802 2.286 -4.518 1.00 0.00 C ATOM 807 O SER A 54 7.647 1.394 -4.567 1.00 0.00 O ATOM 808 CB SER A 54 4.933 2.524 -6.178 1.00 0.00 C ATOM 809 OG SER A 54 4.807 1.105 -6.123 1.00 0.00 O ATOM 0 H SER A 54 7.474 1.751 -7.049 1.00 0.00 H new ATOM 0 HA SER A 54 6.303 4.064 -5.619 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.206 2.979 -5.506 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.697 2.870 -7.184 1.00 0.00 H new ATOM 0 HG SER A 54 5.624 0.690 -6.471 1.00 0.00 H new ATOM 815 N ALA A 55 6.228 2.716 -3.404 1.00 0.00 N ATOM 816 CA ALA A 55 6.571 2.140 -2.115 1.00 0.00 C ATOM 817 C ALA A 55 5.439 2.411 -1.123 1.00 0.00 C ATOM 818 O ALA A 55 4.890 3.511 -1.087 1.00 0.00 O ATOM 819 CB ALA A 55 7.910 2.708 -1.641 1.00 0.00 C ATOM 0 H ALA A 55 5.528 3.457 -3.367 1.00 0.00 H new ATOM 0 HA ALA A 55 6.686 1.059 -2.197 1.00 0.00 H new ATOM 0 HB1 ALA A 55 8.167 2.276 -0.674 1.00 0.00 H new ATOM 0 HB2 ALA A 55 8.686 2.463 -2.366 1.00 0.00 H new ATOM 0 HB3 ALA A 55 7.832 3.791 -1.545 1.00 0.00 H new ATOM 825 N ILE A 56 5.122 1.389 -0.341 1.00 0.00 N ATOM 826 CA ILE A 56 4.065 1.503 0.649 1.00 0.00 C ATOM 827 C ILE A 56 4.669 1.385 2.050 1.00 0.00 C ATOM 828 O ILE A 56 5.297 0.379 2.377 1.00 0.00 O ATOM 829 CB ILE A 56 2.958 0.485 0.370 1.00 0.00 C ATOM 830 CG1 ILE A 56 2.296 0.752 -0.983 1.00 0.00 C ATOM 831 CG2 ILE A 56 1.939 0.457 1.511 1.00 0.00 C ATOM 832 CD1 ILE A 56 1.360 -0.394 -1.372 1.00 0.00 C ATOM 0 H ILE A 56 5.579 0.478 -0.373 1.00 0.00 H new ATOM 0 HA ILE A 56 3.590 2.482 0.587 1.00 0.00 H new ATOM 0 HB ILE A 56 3.410 -0.505 0.317 1.00 0.00 H new ATOM 0 HG12 ILE A 56 1.735 1.685 -0.939 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.062 0.876 -1.748 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.163 -0.275 1.288 1.00 0.00 H new ATOM 0 HG22 ILE A 56 2.440 0.183 2.439 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.487 1.443 1.620 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.903 -0.178 -2.338 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.929 -1.322 -1.439 1.00 0.00 H new ATOM 0 HD13 ILE A 56 0.581 -0.500 -0.617 1.00 0.00 H new ATOM 844 N ILE A 57 4.458 2.428 2.840 1.00 0.00 N ATOM 845 CA ILE A 57 4.975 2.454 4.198 1.00 0.00 C ATOM 846 C ILE A 57 3.805 2.521 5.182 1.00 0.00 C ATOM 847 O ILE A 57 2.661 2.724 4.779 1.00 0.00 O ATOM 848 CB ILE A 57 5.985 3.591 4.365 1.00 0.00 C ATOM 849 CG1 ILE A 57 5.314 4.953 4.174 1.00 0.00 C ATOM 850 CG2 ILE A 57 7.181 3.404 3.430 1.00 0.00 C ATOM 851 CD1 ILE A 57 5.956 6.011 5.073 1.00 0.00 C ATOM 0 H ILE A 57 3.936 3.261 2.566 1.00 0.00 H new ATOM 0 HA ILE A 57 5.523 1.537 4.415 1.00 0.00 H new ATOM 0 HB ILE A 57 6.367 3.561 5.385 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.395 5.259 3.131 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.251 4.874 4.401 1.00 0.00 H new ATOM 0 HG21 ILE A 57 7.883 4.226 3.569 1.00 0.00 H new ATOM 0 HG22 ILE A 57 7.677 2.460 3.658 1.00 0.00 H new ATOM 0 HG23 ILE A 57 6.836 3.392 2.396 1.00 0.00 H new ATOM 0 HD11 ILE A 57 5.461 6.969 4.918 1.00 0.00 H new ATOM 0 HD12 ILE A 57 5.852 5.714 6.116 1.00 0.00 H new ATOM 0 HD13 ILE A 57 7.014 6.105 4.826 1.00 0.00 H new ATOM 863 N THR A 58 4.133 2.346 6.454 1.00 0.00 N ATOM 864 CA THR A 58 3.124 2.384 7.499 1.00 0.00 C ATOM 865 C THR A 58 2.892 3.823 7.964 1.00 0.00 C ATOM 866 O THR A 58 3.371 4.767 7.338 1.00 0.00 O ATOM 867 CB THR A 58 3.571 1.447 8.622 1.00 0.00 C ATOM 868 OG1 THR A 58 4.897 1.873 8.923 1.00 0.00 O ATOM 869 CG2 THR A 58 3.742 0.003 8.146 1.00 0.00 C ATOM 0 H THR A 58 5.083 2.178 6.784 1.00 0.00 H new ATOM 0 HA THR A 58 2.159 2.035 7.130 1.00 0.00 H new ATOM 0 HB THR A 58 2.842 1.478 9.432 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.944 2.158 9.859 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.060 -0.620 8.982 1.00 0.00 H new ATOM 0 HG22 THR A 58 2.793 -0.367 7.758 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.495 -0.034 7.359 1.00 0.00 H new ATOM 877 N ASN A 59 2.157 3.946 9.060 1.00 0.00 N ATOM 878 CA ASN A 59 1.856 5.254 9.617 1.00 0.00 C ATOM 879 C ASN A 59 2.901 5.604 10.678 1.00 0.00 C ATOM 880 O ASN A 59 2.597 6.296 11.648 1.00 0.00 O ATOM 881 CB ASN A 59 0.480 5.264 10.286 1.00 0.00 C ATOM 882 CG ASN A 59 0.295 4.034 11.177 1.00 0.00 C ATOM 883 OD1 ASN A 59 0.954 3.863 12.189 1.00 0.00 O ATOM 884 ND2 ASN A 59 -0.638 3.189 10.745 1.00 0.00 N ATOM 0 H ASN A 59 1.761 3.161 9.577 1.00 0.00 H new ATOM 0 HA ASN A 59 1.866 5.978 8.803 1.00 0.00 H new ATOM 0 HB2 ASN A 59 0.368 6.170 10.882 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -0.299 5.286 9.524 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -0.838 2.338 11.270 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -1.154 3.393 9.889 1.00 0.00 H new ATOM 891 N ASP A 60 4.110 5.110 10.458 1.00 0.00 N ATOM 892 CA ASP A 60 5.201 5.363 11.383 1.00 0.00 C ATOM 893 C ASP A 60 6.515 5.453 10.603 1.00 0.00 C ATOM 894 O ASP A 60 7.573 5.100 11.121 1.00 0.00 O ATOM 895 CB ASP A 60 5.333 4.229 12.402 1.00 0.00 C ATOM 896 CG ASP A 60 5.478 4.680 13.856 1.00 0.00 C ATOM 897 OD1 ASP A 60 5.306 5.896 14.093 1.00 0.00 O ATOM 898 OD2 ASP A 60 5.757 3.800 14.699 1.00 0.00 O ATOM 0 H ASP A 60 4.358 4.536 9.652 1.00 0.00 H new ATOM 0 HA ASP A 60 4.990 6.296 11.906 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.457 3.586 12.323 1.00 0.00 H new ATOM 0 HB3 ASP A 60 6.199 3.622 12.138 1.00 0.00 H new ATOM 903 N GLY A 61 6.403 5.928 9.372 1.00 0.00 N ATOM 904 CA GLY A 61 7.569 6.069 8.516 1.00 0.00 C ATOM 905 C GLY A 61 8.394 4.780 8.496 1.00 0.00 C ATOM 906 O GLY A 61 9.609 4.814 8.683 1.00 0.00 O ATOM 0 H GLY A 61 5.523 6.220 8.946 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.253 6.318 7.503 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.186 6.895 8.870 1.00 0.00 H new ATOM 910 N ILE A 62 7.701 3.675 8.268 1.00 0.00 N ATOM 911 CA ILE A 62 8.354 2.378 8.221 1.00 0.00 C ATOM 912 C ILE A 62 7.877 1.615 6.984 1.00 0.00 C ATOM 913 O ILE A 62 6.684 1.598 6.682 1.00 0.00 O ATOM 914 CB ILE A 62 8.135 1.620 9.533 1.00 0.00 C ATOM 915 CG1 ILE A 62 8.982 2.217 10.659 1.00 0.00 C ATOM 916 CG2 ILE A 62 8.395 0.124 9.351 1.00 0.00 C ATOM 917 CD1 ILE A 62 10.424 1.712 10.587 1.00 0.00 C ATOM 0 H ILE A 62 6.693 3.651 8.114 1.00 0.00 H new ATOM 0 HA ILE A 62 9.433 2.499 8.125 1.00 0.00 H new ATOM 0 HB ILE A 62 7.090 1.732 9.823 1.00 0.00 H new ATOM 0 HG12 ILE A 62 8.970 3.305 10.590 1.00 0.00 H new ATOM 0 HG13 ILE A 62 8.548 1.954 11.624 1.00 0.00 H new ATOM 0 HG21 ILE A 62 8.232 -0.391 10.298 1.00 0.00 H new ATOM 0 HG22 ILE A 62 7.714 -0.275 8.599 1.00 0.00 H new ATOM 0 HG23 ILE A 62 9.424 -0.030 9.026 1.00 0.00 H new ATOM 0 HD11 ILE A 62 11.004 2.151 11.398 1.00 0.00 H new ATOM 0 HD12 ILE A 62 10.434 0.626 10.680 1.00 0.00 H new ATOM 0 HD13 ILE A 62 10.862 1.998 9.631 1.00 0.00 H new ATOM 929 N GLY A 63 8.832 1.003 6.300 1.00 0.00 N ATOM 930 CA GLY A 63 8.525 0.241 5.102 1.00 0.00 C ATOM 931 C GLY A 63 7.764 -1.041 5.448 1.00 0.00 C ATOM 932 O GLY A 63 7.409 -1.263 6.604 1.00 0.00 O ATOM 0 H GLY A 63 9.820 1.019 6.553 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.929 0.850 4.422 1.00 0.00 H new ATOM 0 HA3 GLY A 63 9.448 -0.010 4.579 1.00 0.00 H new ATOM 936 N ILE A 64 7.536 -1.850 4.424 1.00 0.00 N ATOM 937 CA ILE A 64 6.824 -3.103 4.605 1.00 0.00 C ATOM 938 C ILE A 64 7.597 -4.229 3.915 1.00 0.00 C ATOM 939 O ILE A 64 8.282 -3.997 2.920 1.00 0.00 O ATOM 940 CB ILE A 64 5.376 -2.971 4.129 1.00 0.00 C ATOM 941 CG1 ILE A 64 4.659 -1.836 4.863 1.00 0.00 C ATOM 942 CG2 ILE A 64 4.631 -4.300 4.262 1.00 0.00 C ATOM 943 CD1 ILE A 64 3.357 -1.460 4.153 1.00 0.00 C ATOM 0 H ILE A 64 7.832 -1.662 3.466 1.00 0.00 H new ATOM 0 HA ILE A 64 6.766 -3.357 5.663 1.00 0.00 H new ATOM 0 HB ILE A 64 5.387 -2.713 3.070 1.00 0.00 H new ATOM 0 HG12 ILE A 64 4.444 -2.139 5.888 1.00 0.00 H new ATOM 0 HG13 ILE A 64 5.312 -0.965 4.919 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.604 -4.178 3.917 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.129 -5.058 3.658 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.628 -4.612 5.306 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.867 -0.651 4.695 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.578 -1.134 3.137 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.697 -2.327 4.121 1.00 0.00 H new ATOM 955 N ASN A 65 7.463 -5.424 4.472 1.00 0.00 N ATOM 956 CA ASN A 65 8.140 -6.586 3.923 1.00 0.00 C ATOM 957 C ASN A 65 7.117 -7.694 3.667 1.00 0.00 C ATOM 958 O ASN A 65 6.545 -8.245 4.606 1.00 0.00 O ATOM 959 CB ASN A 65 9.187 -7.125 4.899 1.00 0.00 C ATOM 960 CG ASN A 65 10.413 -7.654 4.152 1.00 0.00 C ATOM 961 OD1 ASN A 65 11.480 -7.063 4.159 1.00 0.00 O ATOM 962 ND2 ASN A 65 10.202 -8.799 3.508 1.00 0.00 N ATOM 0 H ASN A 65 6.895 -5.612 5.298 1.00 0.00 H new ATOM 0 HA ASN A 65 8.631 -6.284 2.998 1.00 0.00 H new ATOM 0 HB2 ASN A 65 9.489 -6.335 5.587 1.00 0.00 H new ATOM 0 HB3 ASN A 65 8.752 -7.923 5.501 1.00 0.00 H new ATOM 0 HD21 ASN A 65 10.958 -9.234 2.979 1.00 0.00 H new ATOM 0 HD22 ASN A 65 9.284 -9.242 3.543 1.00 0.00 H new ATOM 969 N PRO A 66 6.912 -7.996 2.357 1.00 0.00 N ATOM 970 CA PRO A 66 5.968 -9.029 1.966 1.00 0.00 C ATOM 971 C PRO A 66 6.538 -10.423 2.234 1.00 0.00 C ATOM 972 O PRO A 66 6.546 -11.276 1.347 1.00 0.00 O ATOM 973 CB PRO A 66 5.693 -8.773 0.493 1.00 0.00 C ATOM 974 CG PRO A 66 6.837 -7.903 0.000 1.00 0.00 C ATOM 975 CD PRO A 66 7.572 -7.365 1.217 1.00 0.00 C ATOM 0 HA PRO A 66 5.044 -8.994 2.542 1.00 0.00 H new ATOM 0 HB2 PRO A 66 5.646 -9.709 -0.064 1.00 0.00 H new ATOM 0 HB3 PRO A 66 4.735 -8.272 0.356 1.00 0.00 H new ATOM 0 HG2 PRO A 66 7.513 -8.482 -0.629 1.00 0.00 H new ATOM 0 HG3 PRO A 66 6.458 -7.083 -0.610 1.00 0.00 H new ATOM 0 HD2 PRO A 66 8.632 -7.618 1.183 1.00 0.00 H new ATOM 0 HD3 PRO A 66 7.505 -6.278 1.272 1.00 0.00 H new ATOM 983 N ALA A 67 7.002 -10.612 3.460 1.00 0.00 N ATOM 984 CA ALA A 67 7.573 -11.888 3.856 1.00 0.00 C ATOM 985 C ALA A 67 6.444 -12.864 4.195 1.00 0.00 C ATOM 986 O ALA A 67 6.628 -14.078 4.130 1.00 0.00 O ATOM 987 CB ALA A 67 8.532 -11.677 5.030 1.00 0.00 C ATOM 0 H ALA A 67 6.994 -9.903 4.193 1.00 0.00 H new ATOM 0 HA ALA A 67 8.149 -12.320 3.038 1.00 0.00 H new ATOM 0 HB1 ALA A 67 8.960 -12.634 5.327 1.00 0.00 H new ATOM 0 HB2 ALA A 67 9.331 -11.000 4.730 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.988 -11.246 5.871 1.00 0.00 H new ATOM 993 N GLN A 68 5.300 -12.296 4.549 1.00 0.00 N ATOM 994 CA GLN A 68 4.142 -13.101 4.897 1.00 0.00 C ATOM 995 C GLN A 68 2.946 -12.717 4.022 1.00 0.00 C ATOM 996 O GLN A 68 3.007 -11.742 3.275 1.00 0.00 O ATOM 997 CB GLN A 68 3.802 -12.958 6.382 1.00 0.00 C ATOM 998 CG GLN A 68 3.865 -11.494 6.821 1.00 0.00 C ATOM 999 CD GLN A 68 5.292 -11.098 7.207 1.00 0.00 C ATOM 1000 OE1 GLN A 68 6.015 -11.837 7.855 1.00 0.00 O ATOM 1001 NE2 GLN A 68 5.655 -9.894 6.775 1.00 0.00 N ATOM 0 H GLN A 68 5.151 -11.288 4.602 1.00 0.00 H new ATOM 0 HA GLN A 68 4.382 -14.148 4.711 1.00 0.00 H new ATOM 0 HB2 GLN A 68 2.804 -13.355 6.570 1.00 0.00 H new ATOM 0 HB3 GLN A 68 4.498 -13.550 6.977 1.00 0.00 H new ATOM 0 HG2 GLN A 68 3.512 -10.853 6.013 1.00 0.00 H new ATOM 0 HG3 GLN A 68 3.198 -11.336 7.668 1.00 0.00 H new ATOM 0 HE21 GLN A 68 5.000 -9.326 6.237 1.00 0.00 H new ATOM 0 HE22 GLN A 68 6.588 -9.538 6.982 1.00 0.00 H new ATOM 1010 N THR A 69 1.887 -13.503 4.145 1.00 0.00 N ATOM 1011 CA THR A 69 0.680 -13.258 3.375 1.00 0.00 C ATOM 1012 C THR A 69 0.170 -11.837 3.620 1.00 0.00 C ATOM 1013 O THR A 69 0.392 -11.270 4.689 1.00 0.00 O ATOM 1014 CB THR A 69 -0.340 -14.340 3.737 1.00 0.00 C ATOM 1015 OG1 THR A 69 -0.674 -14.062 5.094 1.00 0.00 O ATOM 1016 CG2 THR A 69 0.282 -15.738 3.786 1.00 0.00 C ATOM 0 H THR A 69 1.840 -14.310 4.767 1.00 0.00 H new ATOM 0 HA THR A 69 0.875 -13.320 2.304 1.00 0.00 H new ATOM 0 HB THR A 69 -1.153 -14.329 3.011 1.00 0.00 H new ATOM 0 HG1 THR A 69 -1.332 -14.716 5.409 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.484 -16.468 4.047 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.701 -15.984 2.810 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.073 -15.758 4.536 1.00 0.00 H new ATOM 1024 N ALA A 70 -0.503 -11.302 2.612 1.00 0.00 N ATOM 1025 CA ALA A 70 -1.046 -9.957 2.705 1.00 0.00 C ATOM 1026 C ALA A 70 -1.832 -9.818 4.010 1.00 0.00 C ATOM 1027 O ALA A 70 -1.707 -8.815 4.711 1.00 0.00 O ATOM 1028 CB ALA A 70 -1.905 -9.668 1.473 1.00 0.00 C ATOM 0 H ALA A 70 -0.685 -11.775 1.727 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.244 -9.219 2.724 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -2.313 -8.659 1.542 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.293 -9.751 0.575 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.723 -10.387 1.423 1.00 0.00 H new ATOM 1034 N GLY A 71 -2.626 -10.839 4.297 1.00 0.00 N ATOM 1035 CA GLY A 71 -3.433 -10.844 5.505 1.00 0.00 C ATOM 1036 C GLY A 71 -2.556 -10.692 6.750 1.00 0.00 C ATOM 1037 O GLY A 71 -3.023 -10.228 7.790 1.00 0.00 O ATOM 0 H GLY A 71 -2.728 -11.669 3.713 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -4.159 -10.032 5.465 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.998 -11.774 5.565 1.00 0.00 H new ATOM 1041 N ASN A 72 -1.302 -11.093 6.604 1.00 0.00 N ATOM 1042 CA ASN A 72 -0.356 -11.007 7.703 1.00 0.00 C ATOM 1043 C ASN A 72 0.445 -9.709 7.582 1.00 0.00 C ATOM 1044 O ASN A 72 1.079 -9.275 8.542 1.00 0.00 O ATOM 1045 CB ASN A 72 0.631 -12.176 7.673 1.00 0.00 C ATOM 1046 CG ASN A 72 1.212 -12.439 9.063 1.00 0.00 C ATOM 1047 OD1 ASN A 72 1.540 -13.710 9.281 1.00 0.00 O flip ATOM 1048 ND2 ASN A 72 1.354 -11.548 9.885 1.00 0.00 N flip ATOM 0 H ASN A 72 -0.919 -11.479 5.741 1.00 0.00 H new ATOM 0 HA ASN A 72 -0.920 -11.034 8.635 1.00 0.00 H new ATOM 0 HB2 ASN A 72 0.128 -13.072 7.310 1.00 0.00 H new ATOM 0 HB3 ASN A 72 1.438 -11.958 6.973 1.00 0.00 H new ATOM 0 HD21 ASN A 72 1.082 -10.593 9.654 1.00 0.00 H new ATOM 0 HD22 ASN A 72 1.745 -11.759 10.803 1.00 0.00 H new ATOM 1055 N VAL A 73 0.388 -9.125 6.394 1.00 0.00 N ATOM 1056 CA VAL A 73 1.100 -7.885 6.135 1.00 0.00 C ATOM 1057 C VAL A 73 0.193 -6.701 6.473 1.00 0.00 C ATOM 1058 O VAL A 73 0.620 -5.756 7.135 1.00 0.00 O ATOM 1059 CB VAL A 73 1.600 -7.861 4.689 1.00 0.00 C ATOM 1060 CG1 VAL A 73 2.139 -6.478 4.318 1.00 0.00 C ATOM 1061 CG2 VAL A 73 2.657 -8.943 4.457 1.00 0.00 C ATOM 0 H VAL A 73 -0.140 -9.487 5.600 1.00 0.00 H new ATOM 0 HA VAL A 73 1.982 -7.811 6.771 1.00 0.00 H new ATOM 0 HB VAL A 73 0.753 -8.075 4.037 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.488 -6.488 3.285 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.346 -5.738 4.426 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.967 -6.221 4.978 1.00 0.00 H new ATOM 0 HG21 VAL A 73 2.996 -8.905 3.422 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.503 -8.773 5.122 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.226 -9.923 4.661 1.00 0.00 H new ATOM 1071 N PHE A 74 -1.043 -6.790 6.004 1.00 0.00 N ATOM 1072 CA PHE A 74 -2.014 -5.738 6.248 1.00 0.00 C ATOM 1073 C PHE A 74 -2.467 -5.738 7.710 1.00 0.00 C ATOM 1074 O PHE A 74 -3.088 -4.782 8.171 1.00 0.00 O ATOM 1075 CB PHE A 74 -3.221 -6.026 5.353 1.00 0.00 C ATOM 1076 CG PHE A 74 -4.401 -6.667 6.087 1.00 0.00 C ATOM 1077 CD1 PHE A 74 -4.241 -7.860 6.720 1.00 0.00 C ATOM 1078 CD2 PHE A 74 -5.609 -6.043 6.107 1.00 0.00 C ATOM 1079 CE1 PHE A 74 -5.336 -8.455 7.401 1.00 0.00 C ATOM 1080 CE2 PHE A 74 -6.704 -6.638 6.788 1.00 0.00 C ATOM 1081 CZ PHE A 74 -6.545 -7.831 7.421 1.00 0.00 C ATOM 0 H PHE A 74 -1.394 -7.575 5.456 1.00 0.00 H new ATOM 0 HA PHE A 74 -1.571 -4.766 6.033 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -3.553 -5.093 4.897 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.910 -6.684 4.542 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -3.281 -8.355 6.705 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -5.736 -5.095 5.605 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.209 -9.403 7.903 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -7.664 -6.143 6.803 1.00 0.00 H new ATOM 0 HZ PHE A 74 -7.378 -8.283 7.939 1.00 0.00 H new ATOM 1091 N LEU A 75 -2.137 -6.821 8.398 1.00 0.00 N ATOM 1092 CA LEU A 75 -2.502 -6.959 9.798 1.00 0.00 C ATOM 1093 C LEU A 75 -1.369 -6.416 10.671 1.00 0.00 C ATOM 1094 O LEU A 75 -1.597 -5.574 11.537 1.00 0.00 O ATOM 1095 CB LEU A 75 -2.882 -8.407 10.113 1.00 0.00 C ATOM 1096 CG LEU A 75 -3.546 -8.645 11.471 1.00 0.00 C ATOM 1097 CD1 LEU A 75 -5.060 -8.810 11.319 1.00 0.00 C ATOM 1098 CD2 LEU A 75 -2.909 -9.836 12.191 1.00 0.00 C ATOM 0 H LEU A 75 -1.621 -7.611 8.012 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.389 -6.366 10.021 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.556 -8.763 9.334 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.981 -9.018 10.059 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.379 -7.766 12.093 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.508 -8.978 12.298 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.482 -7.907 10.877 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.270 -9.662 10.673 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.399 -9.984 13.153 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.025 -10.733 11.583 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.849 -9.640 12.350 1.00 0.00 H new ATOM 1110 N LYS A 76 -0.171 -6.921 10.412 1.00 0.00 N ATOM 1111 CA LYS A 76 0.998 -6.498 11.164 1.00 0.00 C ATOM 1112 C LYS A 76 1.262 -5.015 10.895 1.00 0.00 C ATOM 1113 O LYS A 76 1.588 -4.263 11.812 1.00 0.00 O ATOM 1114 CB LYS A 76 2.192 -7.402 10.850 1.00 0.00 C ATOM 1115 CG LYS A 76 2.846 -7.007 9.525 1.00 0.00 C ATOM 1116 CD LYS A 76 4.179 -7.732 9.333 1.00 0.00 C ATOM 1117 CE LYS A 76 5.328 -6.945 9.968 1.00 0.00 C ATOM 1118 NZ LYS A 76 6.331 -7.867 10.545 1.00 0.00 N ATOM 0 H LYS A 76 0.015 -7.619 9.692 1.00 0.00 H new ATOM 0 HA LYS A 76 0.821 -6.602 12.235 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.924 -7.336 11.655 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.864 -8.440 10.802 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.176 -7.246 8.699 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.008 -5.929 9.502 1.00 0.00 H new ATOM 0 HD2 LYS A 76 4.124 -8.725 9.778 1.00 0.00 H new ATOM 0 HD3 LYS A 76 4.372 -7.870 8.269 1.00 0.00 H new ATOM 0 HE2 LYS A 76 5.799 -6.309 9.218 1.00 0.00 H new ATOM 0 HE3 LYS A 76 4.940 -6.287 10.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 7.104 -7.317 10.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 5.882 -8.456 11.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 6.714 -8.477 9.795 1.00 0.00 H new ATOM 1132 N HIS A 77 1.111 -4.639 9.634 1.00 0.00 N ATOM 1133 CA HIS A 77 1.328 -3.259 9.233 1.00 0.00 C ATOM 1134 C HIS A 77 0.026 -2.470 9.382 1.00 0.00 C ATOM 1135 O HIS A 77 0.018 -1.381 9.955 1.00 0.00 O ATOM 1136 CB HIS A 77 1.906 -3.189 7.818 1.00 0.00 C ATOM 1137 CG HIS A 77 3.238 -3.883 7.663 1.00 0.00 C ATOM 1138 ND1 HIS A 77 4.445 -3.251 7.907 1.00 0.00 N ATOM 1139 CD2 HIS A 77 3.540 -5.159 7.289 1.00 0.00 C ATOM 1140 CE1 HIS A 77 5.423 -4.117 7.684 1.00 0.00 C ATOM 1141 NE2 HIS A 77 4.860 -5.299 7.301 1.00 0.00 N ATOM 0 H HIS A 77 0.841 -5.266 8.876 1.00 0.00 H new ATOM 0 HA HIS A 77 2.068 -2.798 9.888 1.00 0.00 H new ATOM 0 HB2 HIS A 77 1.193 -3.634 7.123 1.00 0.00 H new ATOM 0 HB3 HIS A 77 2.018 -2.143 7.534 1.00 0.00 H new ATOM 0 HD2 HIS A 77 2.826 -5.926 7.027 1.00 0.00 H new ATOM 0 HE1 HIS A 77 6.480 -3.921 7.787 1.00 0.00 H new ATOM 0 HE2 HIS A 77 5.369 -6.150 7.063 1.00 0.00 H new ATOM 1149 N GLY A 78 -1.043 -3.049 8.857 1.00 0.00 N ATOM 1150 CA GLY A 78 -2.348 -2.414 8.924 1.00 0.00 C ATOM 1151 C GLY A 78 -2.957 -2.262 7.529 1.00 0.00 C ATOM 1152 O GLY A 78 -2.291 -2.518 6.526 1.00 0.00 O ATOM 0 H GLY A 78 -1.032 -3.952 8.383 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -3.013 -3.007 9.552 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -2.256 -1.434 9.393 1.00 0.00 H new ATOM 1156 N SER A 79 -4.215 -1.847 7.509 1.00 0.00 N ATOM 1157 CA SER A 79 -4.921 -1.658 6.253 1.00 0.00 C ATOM 1158 C SER A 79 -4.818 -0.198 5.809 1.00 0.00 C ATOM 1159 O SER A 79 -5.300 0.164 4.737 1.00 0.00 O ATOM 1160 CB SER A 79 -6.388 -2.074 6.378 1.00 0.00 C ATOM 1161 OG SER A 79 -7.042 -1.406 7.454 1.00 0.00 O ATOM 0 H SER A 79 -4.764 -1.636 8.343 1.00 0.00 H new ATOM 0 HA SER A 79 -4.455 -2.293 5.500 1.00 0.00 H new ATOM 0 HB2 SER A 79 -6.908 -1.855 5.445 1.00 0.00 H new ATOM 0 HB3 SER A 79 -6.448 -3.152 6.530 1.00 0.00 H new ATOM 0 HG SER A 79 -7.977 -1.697 7.500 1.00 0.00 H new ATOM 1167 N GLU A 80 -4.189 0.602 6.657 1.00 0.00 N ATOM 1168 CA GLU A 80 -4.018 2.016 6.366 1.00 0.00 C ATOM 1169 C GLU A 80 -2.551 2.319 6.052 1.00 0.00 C ATOM 1170 O GLU A 80 -1.719 2.382 6.956 1.00 0.00 O ATOM 1171 CB GLU A 80 -4.520 2.879 7.525 1.00 0.00 C ATOM 1172 CG GLU A 80 -6.048 2.962 7.524 1.00 0.00 C ATOM 1173 CD GLU A 80 -6.553 3.770 8.721 1.00 0.00 C ATOM 1174 OE1 GLU A 80 -6.521 3.210 9.838 1.00 0.00 O ATOM 1175 OE2 GLU A 80 -6.960 4.930 8.492 1.00 0.00 O ATOM 0 H GLU A 80 -3.791 0.298 7.546 1.00 0.00 H new ATOM 0 HA GLU A 80 -4.616 2.262 5.488 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.175 2.461 8.471 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.098 3.881 7.447 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.390 3.424 6.598 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -6.471 1.958 7.554 1.00 0.00 H new ATOM 1182 N LEU A 81 -2.279 2.499 4.768 1.00 0.00 N ATOM 1183 CA LEU A 81 -0.928 2.794 4.323 1.00 0.00 C ATOM 1184 C LEU A 81 -0.980 3.839 3.207 1.00 0.00 C ATOM 1185 O LEU A 81 -2.044 4.106 2.651 1.00 0.00 O ATOM 1186 CB LEU A 81 -0.201 1.507 3.927 1.00 0.00 C ATOM 1187 CG LEU A 81 -0.642 0.236 4.657 1.00 0.00 C ATOM 1188 CD1 LEU A 81 -0.362 -1.007 3.810 1.00 0.00 C ATOM 1189 CD2 LEU A 81 0.007 0.145 6.040 1.00 0.00 C ATOM 0 H LEU A 81 -2.972 2.446 4.021 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.345 3.225 5.137 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.335 1.352 2.856 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.866 1.649 4.098 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.720 0.286 4.810 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.684 -1.896 4.351 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.908 -0.937 2.869 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.706 -1.075 3.605 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.323 -0.767 6.537 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.092 0.128 5.933 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.285 1.009 6.636 1.00 0.00 H new ATOM 1201 N ARG A 82 0.183 4.401 2.912 1.00 0.00 N ATOM 1202 CA ARG A 82 0.284 5.411 1.872 1.00 0.00 C ATOM 1203 C ARG A 82 1.304 4.985 0.815 1.00 0.00 C ATOM 1204 O ARG A 82 2.334 4.397 1.143 1.00 0.00 O ATOM 1205 CB ARG A 82 0.699 6.763 2.456 1.00 0.00 C ATOM 1206 CG ARG A 82 -0.384 7.315 3.385 1.00 0.00 C ATOM 1207 CD ARG A 82 0.169 7.551 4.792 1.00 0.00 C ATOM 1208 NE ARG A 82 -0.906 8.044 5.682 1.00 0.00 N ATOM 1209 CZ ARG A 82 -0.690 8.749 6.801 1.00 0.00 C ATOM 1210 NH1 ARG A 82 0.561 9.047 7.174 1.00 0.00 N ATOM 1211 NH2 ARG A 82 -1.727 9.155 7.547 1.00 0.00 N ATOM 0 H ARG A 82 1.064 4.176 3.375 1.00 0.00 H new ATOM 0 HA ARG A 82 -0.699 5.513 1.412 1.00 0.00 H new ATOM 0 HB2 ARG A 82 1.634 6.654 3.006 1.00 0.00 H new ATOM 0 HB3 ARG A 82 0.885 7.470 1.648 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -0.772 8.250 2.981 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -1.219 6.616 3.431 1.00 0.00 H new ATOM 0 HD2 ARG A 82 0.585 6.625 5.189 1.00 0.00 H new ATOM 0 HD3 ARG A 82 0.983 8.275 4.755 1.00 0.00 H new ATOM 0 HE ARG A 82 -1.871 7.834 5.428 1.00 0.00 H new ATOM 0 HH11 ARG A 82 1.350 8.737 6.606 1.00 0.00 H new ATOM 0 HH12 ARG A 82 0.725 9.584 8.026 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -2.680 8.927 7.263 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -1.563 9.692 8.399 1.00 0.00 H new ATOM 1225 N ILE A 83 0.983 5.297 -0.432 1.00 0.00 N ATOM 1226 CA ILE A 83 1.859 4.954 -1.539 1.00 0.00 C ATOM 1227 C ILE A 83 2.738 6.158 -1.881 1.00 0.00 C ATOM 1228 O ILE A 83 2.250 7.159 -2.403 1.00 0.00 O ATOM 1229 CB ILE A 83 1.045 4.431 -2.724 1.00 0.00 C ATOM 1230 CG1 ILE A 83 1.894 3.521 -3.614 1.00 0.00 C ATOM 1231 CG2 ILE A 83 0.420 5.584 -3.512 1.00 0.00 C ATOM 1232 CD1 ILE A 83 1.047 2.399 -4.218 1.00 0.00 C ATOM 0 H ILE A 83 0.128 5.784 -0.700 1.00 0.00 H new ATOM 0 HA ILE A 83 2.528 4.141 -1.257 1.00 0.00 H new ATOM 0 HB ILE A 83 0.226 3.826 -2.335 1.00 0.00 H new ATOM 0 HG12 ILE A 83 2.348 4.108 -4.412 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.709 3.092 -3.030 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.153 5.184 -4.349 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -0.241 6.155 -2.859 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.208 6.235 -3.890 1.00 0.00 H new ATOM 0 HD11 ILE A 83 1.675 1.767 -4.846 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.614 1.799 -3.418 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.248 2.831 -4.821 1.00 0.00 H new ATOM 1244 N ILE A 84 4.019 6.022 -1.572 1.00 0.00 N ATOM 1245 CA ILE A 84 4.971 7.087 -1.840 1.00 0.00 C ATOM 1246 C ILE A 84 5.850 6.692 -3.029 1.00 0.00 C ATOM 1247 O ILE A 84 6.002 5.509 -3.327 1.00 0.00 O ATOM 1248 CB ILE A 84 5.763 7.428 -0.576 1.00 0.00 C ATOM 1249 CG1 ILE A 84 6.693 6.279 -0.185 1.00 0.00 C ATOM 1250 CG2 ILE A 84 4.827 7.823 0.568 1.00 0.00 C ATOM 1251 CD1 ILE A 84 8.158 6.657 -0.413 1.00 0.00 C ATOM 0 H ILE A 84 4.420 5.190 -1.139 1.00 0.00 H new ATOM 0 HA ILE A 84 4.450 8.003 -2.119 1.00 0.00 H new ATOM 0 HB ILE A 84 6.392 8.292 -0.790 1.00 0.00 H new ATOM 0 HG12 ILE A 84 6.539 6.022 0.863 1.00 0.00 H new ATOM 0 HG13 ILE A 84 6.447 5.393 -0.770 1.00 0.00 H new ATOM 0 HG21 ILE A 84 5.416 8.060 1.454 1.00 0.00 H new ATOM 0 HG22 ILE A 84 4.243 8.696 0.276 1.00 0.00 H new ATOM 0 HG23 ILE A 84 4.154 6.995 0.790 1.00 0.00 H new ATOM 0 HD11 ILE A 84 8.798 5.822 -0.127 1.00 0.00 H new ATOM 0 HD12 ILE A 84 8.314 6.889 -1.466 1.00 0.00 H new ATOM 0 HD13 ILE A 84 8.407 7.529 0.192 1.00 0.00 H new ATOM 1263 N PRO A 85 6.420 7.733 -3.693 1.00 0.00 N ATOM 1264 CA PRO A 85 7.279 7.507 -4.842 1.00 0.00 C ATOM 1265 C PRO A 85 8.651 6.989 -4.407 1.00 0.00 C ATOM 1266 O PRO A 85 9.302 7.586 -3.551 1.00 0.00 O ATOM 1267 CB PRO A 85 7.349 8.850 -5.551 1.00 0.00 C ATOM 1268 CG PRO A 85 6.911 9.885 -4.528 1.00 0.00 C ATOM 1269 CD PRO A 85 6.262 9.148 -3.368 1.00 0.00 C ATOM 0 HA PRO A 85 6.893 6.738 -5.511 1.00 0.00 H new ATOM 0 HB2 PRO A 85 8.360 9.053 -5.904 1.00 0.00 H new ATOM 0 HB3 PRO A 85 6.698 8.865 -6.425 1.00 0.00 H new ATOM 0 HG2 PRO A 85 7.766 10.465 -4.181 1.00 0.00 H new ATOM 0 HG3 PRO A 85 6.208 10.589 -4.974 1.00 0.00 H new ATOM 0 HD2 PRO A 85 6.746 9.394 -2.423 1.00 0.00 H new ATOM 0 HD3 PRO A 85 5.210 9.416 -3.267 1.00 0.00 H new ATOM 1277 N ARG A 86 9.050 5.882 -5.016 1.00 0.00 N ATOM 1278 CA ARG A 86 10.333 5.276 -4.702 1.00 0.00 C ATOM 1279 C ARG A 86 11.467 6.055 -5.373 1.00 0.00 C ATOM 1280 O ARG A 86 12.368 6.551 -4.699 1.00 0.00 O ATOM 1281 CB ARG A 86 10.382 3.818 -5.165 1.00 0.00 C ATOM 1282 CG ARG A 86 11.608 3.103 -4.595 1.00 0.00 C ATOM 1283 CD ARG A 86 11.245 1.700 -4.104 1.00 0.00 C ATOM 1284 NE ARG A 86 12.476 0.934 -3.803 1.00 0.00 N ATOM 1285 CZ ARG A 86 12.501 -0.195 -3.083 1.00 0.00 C ATOM 1286 NH1 ARG A 86 11.362 -0.698 -2.586 1.00 0.00 N ATOM 1287 NH2 ARG A 86 13.664 -0.823 -2.861 1.00 0.00 N ATOM 0 H ARG A 86 8.508 5.389 -5.725 1.00 0.00 H new ATOM 0 HA ARG A 86 10.457 5.306 -3.620 1.00 0.00 H new ATOM 0 HB2 ARG A 86 9.476 3.302 -4.849 1.00 0.00 H new ATOM 0 HB3 ARG A 86 10.407 3.779 -6.254 1.00 0.00 H new ATOM 0 HG2 ARG A 86 12.382 3.036 -5.359 1.00 0.00 H new ATOM 0 HG3 ARG A 86 12.023 3.685 -3.772 1.00 0.00 H new ATOM 0 HD2 ARG A 86 10.622 1.768 -3.212 1.00 0.00 H new ATOM 0 HD3 ARG A 86 10.660 1.180 -4.863 1.00 0.00 H new ATOM 0 HE ARG A 86 13.360 1.288 -4.167 1.00 0.00 H new ATOM 0 HH11 ARG A 86 10.477 -0.221 -2.756 1.00 0.00 H new ATOM 0 HH12 ARG A 86 11.381 -1.558 -2.038 1.00 0.00 H new ATOM 0 HH21 ARG A 86 14.530 -0.441 -3.240 1.00 0.00 H new ATOM 0 HH22 ARG A 86 13.683 -1.683 -2.313 1.00 0.00 H new