USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 566 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 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0.155 K(o=0.16,f=-4.1!) USER MOD Single : A 25 TYR OH : rot -77:sc= 0.0217 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0418 USER MOD Single : A 31 GLN : amide:sc= -0.0552 X(o=-0.055,f=-0.079) USER MOD Single : A 33 LYS NZ :NH3+ 175:sc= 1.23 (180deg=1.18) USER MOD Single : A 37 SER OG : rot -59:sc= 1.27 USER MOD Single : A 44 SER OG : rot 180:sc= -0.128 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 CYS SG : rot 177:sc= 0.881 USER MOD Single : A 64 TYR OH : rot -158:sc= 0.116 USER MOD Single : A 65 GLN : amide:sc= -0.0956 K(o=-0.096,f=-1.1) USER MOD Single : A 67 GLN : amide:sc= 1.21 K(o=1.2,f=-0.89) USER MOD Single : A 69 THR OG1 : rot -8:sc= 0.813 USER MOD Single : A 72 SER OG : rot 79:sc= 1.07 USER MOD Single : A 74 MET CE :methyl -138:sc= -0.108 (180deg=-0.703) USER MOD Single : A 76 ASN : amide:sc= -0.0582 K(o=-0.058,f=-1.4!) USER MOD Single : A 78 ASN : amide:sc= -0.645 K(o=-0.65,f=-4.7!) USER MOD Single : A 83 SER OG : rot -167:sc= 1.24 USER MOD Single : A 91 ASN : amide:sc= 0.675 K(o=0.68,f=-0.069) USER MOD ----------------------------------------------------------------- ATOM 160 N ASP A 12 -1.591 -3.462 -8.791 1.00 0.00 N ATOM 161 CA ASP A 12 -2.470 -4.355 -8.046 1.00 0.00 C ATOM 162 C ASP A 12 -2.243 -5.808 -8.442 1.00 0.00 C ATOM 163 O ASP A 12 -2.187 -6.692 -7.587 1.00 0.00 O ATOM 164 CB ASP A 12 -3.937 -3.980 -8.277 1.00 0.00 C ATOM 165 CG ASP A 12 -4.905 -4.891 -7.536 1.00 0.00 C ATOM 166 OD1 ASP A 12 -4.926 -4.845 -6.328 1.00 0.00 O ATOM 167 OD2 ASP A 12 -5.615 -5.623 -8.182 1.00 0.00 O ATOM 0 HA ASP A 12 -2.234 -4.244 -6.988 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -4.098 -2.950 -7.958 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -4.153 -4.020 -9.345 1.00 0.00 H new ATOM 172 N ARG A 13 -2.112 -6.048 -9.742 1.00 0.00 N ATOM 173 CA ARG A 13 -1.867 -7.391 -10.252 1.00 0.00 C ATOM 174 C ARG A 13 -0.540 -7.941 -9.742 1.00 0.00 C ATOM 175 O ARG A 13 -0.449 -9.103 -9.348 1.00 0.00 O ATOM 176 CB ARG A 13 -1.863 -7.394 -11.773 1.00 0.00 C ATOM 177 CG ARG A 13 -3.225 -7.189 -12.417 1.00 0.00 C ATOM 178 CD ARG A 13 -3.122 -7.077 -13.895 1.00 0.00 C ATOM 179 NE ARG A 13 -4.425 -6.899 -14.517 1.00 0.00 N ATOM 180 CZ ARG A 13 -4.617 -6.560 -15.806 1.00 0.00 C ATOM 181 NH1 ARG A 13 -3.583 -6.365 -16.596 1.00 0.00 N ATOM 182 NH2 ARG A 13 -5.844 -6.421 -16.277 1.00 0.00 N ATOM 0 H ARG A 13 -2.172 -5.328 -10.462 1.00 0.00 H new ATOM 0 HA ARG A 13 -2.673 -8.030 -9.891 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -1.191 -6.610 -12.122 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -1.453 -8.343 -12.119 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.878 -8.023 -12.160 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -3.686 -6.287 -12.015 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -2.479 -6.235 -14.151 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -2.648 -7.973 -14.295 1.00 0.00 H new ATOM 0 HE ARG A 13 -5.251 -7.041 -13.936 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -2.636 -6.471 -16.232 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -3.728 -6.108 -17.572 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -6.646 -6.570 -15.664 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -5.989 -6.164 -17.253 1.00 0.00 H new ATOM 196 N SER A 14 0.486 -7.098 -9.753 1.00 0.00 N ATOM 197 CA SER A 14 1.823 -7.512 -9.345 1.00 0.00 C ATOM 198 C SER A 14 1.884 -7.773 -7.845 1.00 0.00 C ATOM 199 O SER A 14 2.699 -8.568 -7.376 1.00 0.00 O ATOM 200 CB SER A 14 2.838 -6.451 -9.724 1.00 0.00 C ATOM 201 OG SER A 14 2.681 -5.303 -8.937 1.00 0.00 O ATOM 0 H SER A 14 0.417 -6.122 -10.041 1.00 0.00 H new ATOM 0 HA SER A 14 2.060 -8.440 -9.865 1.00 0.00 H new ATOM 0 HB2 SER A 14 3.846 -6.846 -9.600 1.00 0.00 H new ATOM 0 HB3 SER A 14 2.724 -6.193 -10.777 1.00 0.00 H new ATOM 0 HG SER A 14 3.347 -4.634 -9.198 1.00 0.00 H new ATOM 207 N LEU A 15 1.017 -7.099 -7.097 1.00 0.00 N ATOM 208 CA LEU A 15 0.943 -7.289 -5.653 1.00 0.00 C ATOM 209 C LEU A 15 0.196 -8.569 -5.303 1.00 0.00 C ATOM 210 O LEU A 15 0.582 -9.294 -4.385 1.00 0.00 O ATOM 211 CB LEU A 15 0.249 -6.089 -4.996 1.00 0.00 C ATOM 212 CG LEU A 15 1.041 -4.776 -5.005 1.00 0.00 C ATOM 213 CD1 LEU A 15 0.175 -3.655 -4.445 1.00 0.00 C ATOM 214 CD2 LEU A 15 2.314 -4.944 -4.187 1.00 0.00 C ATOM 0 H LEU A 15 0.356 -6.416 -7.467 1.00 0.00 H new ATOM 0 HA LEU A 15 1.962 -7.371 -5.274 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.702 -5.922 -5.501 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.020 -6.347 -3.962 1.00 0.00 H new ATOM 0 HG LEU A 15 1.320 -4.517 -6.026 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.738 -2.722 -4.452 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.718 -3.544 -5.060 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.116 -3.896 -3.423 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.877 -4.010 -4.194 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.055 -5.204 -3.161 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.923 -5.738 -4.620 1.00 0.00 H new ATOM 226 N ARG A 16 -0.876 -8.842 -6.040 1.00 0.00 N ATOM 227 CA ARG A 16 -1.662 -10.053 -5.830 1.00 0.00 C ATOM 228 C ARG A 16 -0.956 -11.275 -6.405 1.00 0.00 C ATOM 229 O ARG A 16 -1.212 -12.405 -5.988 1.00 0.00 O ATOM 230 CB ARG A 16 -3.035 -9.917 -6.469 1.00 0.00 C ATOM 231 CG ARG A 16 -3.991 -8.984 -5.741 1.00 0.00 C ATOM 232 CD ARG A 16 -5.362 -9.050 -6.307 1.00 0.00 C ATOM 233 NE ARG A 16 -5.466 -8.323 -7.562 1.00 0.00 N ATOM 234 CZ ARG A 16 -5.559 -8.901 -8.775 1.00 0.00 C ATOM 235 NH1 ARG A 16 -5.561 -10.211 -8.881 1.00 0.00 N ATOM 236 NH2 ARG A 16 -5.650 -8.150 -9.860 1.00 0.00 N ATOM 0 H ARG A 16 -1.221 -8.241 -6.788 1.00 0.00 H new ATOM 0 HA ARG A 16 -1.775 -10.187 -4.754 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.910 -9.560 -7.491 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -3.491 -10.905 -6.530 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.021 -9.247 -4.684 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -3.620 -7.961 -5.805 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -5.639 -10.092 -6.467 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -6.071 -8.638 -5.589 1.00 0.00 H new ATOM 0 HE ARG A 16 -5.469 -7.304 -7.521 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -5.492 -10.790 -8.044 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -5.631 -10.648 -9.800 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -5.650 -7.133 -9.778 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.720 -8.588 -10.779 1.00 0.00 H new ATOM 250 N SER A 17 -0.067 -11.041 -7.364 1.00 0.00 N ATOM 251 CA SER A 17 0.750 -12.109 -7.928 1.00 0.00 C ATOM 252 C SER A 17 1.988 -12.362 -7.079 1.00 0.00 C ATOM 253 O SER A 17 2.616 -11.425 -6.585 1.00 0.00 O ATOM 254 CB SER A 17 1.160 -11.759 -9.345 1.00 0.00 C ATOM 255 OG SER A 17 2.032 -12.723 -9.869 1.00 0.00 O ATOM 0 H SER A 17 0.106 -10.120 -7.767 1.00 0.00 H new ATOM 0 HA SER A 17 0.152 -13.020 -7.939 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.274 -11.684 -9.976 1.00 0.00 H new ATOM 0 HB3 SER A 17 1.643 -10.782 -9.357 1.00 0.00 H new ATOM 0 HG SER A 17 2.281 -12.476 -10.784 1.00 0.00 H new ATOM 261 N VAL A 18 2.335 -13.633 -6.912 1.00 0.00 N ATOM 262 CA VAL A 18 3.564 -14.008 -6.221 1.00 0.00 C ATOM 263 C VAL A 18 4.452 -14.871 -7.107 1.00 0.00 C ATOM 264 O VAL A 18 3.963 -15.629 -7.945 1.00 0.00 O ATOM 265 CB VAL A 18 3.235 -14.775 -4.926 1.00 0.00 C ATOM 266 CG1 VAL A 18 2.437 -13.897 -3.975 1.00 0.00 C ATOM 267 CG2 VAL A 18 2.469 -16.047 -5.258 1.00 0.00 C ATOM 0 H VAL A 18 1.782 -14.422 -7.246 1.00 0.00 H new ATOM 0 HA VAL A 18 4.101 -13.091 -5.977 1.00 0.00 H new ATOM 0 HB VAL A 18 4.167 -15.049 -4.431 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.213 -14.455 -3.066 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.019 -13.011 -3.723 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.505 -13.595 -4.454 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.240 -16.584 -4.338 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.541 -15.790 -5.769 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.077 -16.679 -5.905 1.00 0.00 H new ATOM 277 N PHE A 19 5.762 -14.751 -6.918 1.00 0.00 N ATOM 278 CA PHE A 19 6.722 -15.553 -7.668 1.00 0.00 C ATOM 279 C PHE A 19 6.895 -16.930 -7.043 1.00 0.00 C ATOM 280 O PHE A 19 7.194 -17.051 -5.855 1.00 0.00 O ATOM 281 CB PHE A 19 8.075 -14.843 -7.735 1.00 0.00 C ATOM 282 CG PHE A 19 9.115 -15.594 -8.516 1.00 0.00 C ATOM 283 CD1 PHE A 19 8.992 -15.754 -9.888 1.00 0.00 C ATOM 284 CD2 PHE A 19 10.219 -16.144 -7.880 1.00 0.00 C ATOM 285 CE1 PHE A 19 9.948 -16.445 -10.607 1.00 0.00 C ATOM 286 CE2 PHE A 19 11.177 -16.834 -8.597 1.00 0.00 C ATOM 287 CZ PHE A 19 11.041 -16.985 -9.963 1.00 0.00 C ATOM 0 H PHE A 19 6.184 -14.105 -6.251 1.00 0.00 H new ATOM 0 HA PHE A 19 6.332 -15.678 -8.678 1.00 0.00 H new ATOM 0 HB2 PHE A 19 7.937 -13.859 -8.184 1.00 0.00 H new ATOM 0 HB3 PHE A 19 8.441 -14.682 -6.721 1.00 0.00 H new ATOM 0 HD1 PHE A 19 8.139 -15.334 -10.400 1.00 0.00 H new ATOM 0 HD2 PHE A 19 10.330 -16.031 -6.812 1.00 0.00 H new ATOM 0 HE1 PHE A 19 9.839 -16.562 -11.675 1.00 0.00 H new ATOM 0 HE2 PHE A 19 12.032 -17.255 -8.089 1.00 0.00 H new ATOM 0 HZ PHE A 19 11.789 -17.525 -10.525 1.00 0.00 H new ATOM 297 N VAL A 20 6.707 -17.970 -7.850 1.00 0.00 N ATOM 298 CA VAL A 20 6.751 -19.341 -7.357 1.00 0.00 C ATOM 299 C VAL A 20 7.990 -20.068 -7.862 1.00 0.00 C ATOM 300 O VAL A 20 8.215 -20.169 -9.068 1.00 0.00 O ATOM 301 CB VAL A 20 5.492 -20.109 -7.801 1.00 0.00 C ATOM 302 CG1 VAL A 20 5.532 -21.540 -7.286 1.00 0.00 C ATOM 303 CG2 VAL A 20 4.246 -19.392 -7.306 1.00 0.00 C ATOM 0 H VAL A 20 6.522 -17.888 -8.850 1.00 0.00 H new ATOM 0 HA VAL A 20 6.790 -19.301 -6.268 1.00 0.00 H new ATOM 0 HB VAL A 20 5.464 -20.143 -8.890 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.635 -22.068 -7.609 1.00 0.00 H new ATOM 0 HG12 VAL A 20 6.413 -22.045 -7.683 1.00 0.00 H new ATOM 0 HG13 VAL A 20 5.577 -21.534 -6.197 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.360 -19.941 -7.624 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.267 -19.336 -6.218 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.217 -18.385 -7.721 1.00 0.00 H new ATOM 313 N GLY A 21 8.794 -20.575 -6.932 1.00 0.00 N ATOM 314 CA GLY A 21 9.984 -21.339 -7.282 1.00 0.00 C ATOM 315 C GLY A 21 10.127 -22.571 -6.398 1.00 0.00 C ATOM 316 O GLY A 21 9.306 -22.810 -5.512 1.00 0.00 O ATOM 0 H GLY A 21 8.641 -20.470 -5.929 1.00 0.00 H new ATOM 0 HA2 GLY A 21 9.930 -21.643 -8.327 1.00 0.00 H new ATOM 0 HA3 GLY A 21 10.867 -20.709 -7.178 1.00 0.00 H new ATOM 320 N ASN A 22 11.173 -23.353 -6.645 1.00 0.00 N ATOM 321 CA ASN A 22 11.410 -24.577 -5.891 1.00 0.00 C ATOM 322 C ASN A 22 10.175 -25.468 -5.883 1.00 0.00 C ATOM 323 O ASN A 22 9.788 -26.002 -4.844 1.00 0.00 O ATOM 324 CB ASN A 22 11.845 -24.255 -4.473 1.00 0.00 C ATOM 325 CG ASN A 22 13.201 -23.611 -4.416 1.00 0.00 C ATOM 326 OD1 ASN A 22 14.055 -23.855 -5.277 1.00 0.00 O ATOM 327 ND2 ASN A 22 13.419 -22.793 -3.418 1.00 0.00 N ATOM 0 H ASN A 22 11.871 -23.159 -7.363 1.00 0.00 H new ATOM 0 HA ASN A 22 12.214 -25.123 -6.385 1.00 0.00 H new ATOM 0 HB2 ASN A 22 11.112 -23.591 -4.014 1.00 0.00 H new ATOM 0 HB3 ASN A 22 11.857 -25.172 -3.884 1.00 0.00 H new ATOM 0 HD21 ASN A 22 14.322 -22.328 -3.328 1.00 0.00 H new ATOM 0 HD22 ASN A 22 12.686 -22.621 -2.730 1.00 0.00 H new ATOM 334 N ILE A 23 9.557 -25.624 -7.050 1.00 0.00 N ATOM 335 CA ILE A 23 8.367 -26.455 -7.181 1.00 0.00 C ATOM 336 C ILE A 23 8.722 -27.936 -7.149 1.00 0.00 C ATOM 337 O ILE A 23 9.539 -28.405 -7.940 1.00 0.00 O ATOM 338 CB ILE A 23 7.615 -26.136 -8.486 1.00 0.00 C ATOM 339 CG1 ILE A 23 7.137 -24.681 -8.485 1.00 0.00 C ATOM 340 CG2 ILE A 23 6.441 -27.086 -8.671 1.00 0.00 C ATOM 341 CD1 ILE A 23 6.628 -24.205 -9.827 1.00 0.00 C ATOM 0 H ILE A 23 9.862 -25.185 -7.919 1.00 0.00 H new ATOM 0 HA ILE A 23 7.721 -26.231 -6.332 1.00 0.00 H new ATOM 0 HB ILE A 23 8.300 -26.272 -9.323 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.344 -24.569 -7.746 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.959 -24.038 -8.170 1.00 0.00 H new ATOM 0 HG21 ILE A 23 5.921 -26.846 -9.598 1.00 0.00 H new ATOM 0 HG22 ILE A 23 6.807 -28.112 -8.715 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.753 -26.982 -7.832 1.00 0.00 H new ATOM 0 HD11 ILE A 23 6.308 -23.166 -9.747 1.00 0.00 H new ATOM 0 HD12 ILE A 23 7.425 -24.283 -10.567 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.784 -24.822 -10.136 1.00 0.00 H new ATOM 353 N PRO A 24 8.103 -28.667 -6.228 1.00 0.00 N ATOM 354 CA PRO A 24 8.339 -30.100 -6.103 1.00 0.00 C ATOM 355 C PRO A 24 8.081 -30.819 -7.422 1.00 0.00 C ATOM 356 O PRO A 24 7.130 -30.503 -8.135 1.00 0.00 O ATOM 357 CB PRO A 24 7.336 -30.522 -5.024 1.00 0.00 C ATOM 358 CG PRO A 24 7.145 -29.293 -4.203 1.00 0.00 C ATOM 359 CD PRO A 24 7.173 -28.167 -5.201 1.00 0.00 C ATOM 0 HA PRO A 24 9.369 -30.347 -5.845 1.00 0.00 H new ATOM 0 HB2 PRO A 24 6.397 -30.858 -5.463 1.00 0.00 H new ATOM 0 HB3 PRO A 24 7.720 -31.347 -4.424 1.00 0.00 H new ATOM 0 HG2 PRO A 24 6.200 -29.320 -3.661 1.00 0.00 H new ATOM 0 HG3 PRO A 24 7.935 -29.185 -3.460 1.00 0.00 H new ATOM 0 HD2 PRO A 24 6.184 -27.967 -5.613 1.00 0.00 H new ATOM 0 HD3 PRO A 24 7.526 -27.238 -4.753 1.00 0.00 H new ATOM 367 N TYR A 25 8.935 -31.786 -7.740 1.00 0.00 N ATOM 368 CA TYR A 25 8.797 -32.555 -8.970 1.00 0.00 C ATOM 369 C TYR A 25 7.518 -33.383 -8.962 1.00 0.00 C ATOM 370 O TYR A 25 7.028 -33.797 -10.013 1.00 0.00 O ATOM 371 CB TYR A 25 10.013 -33.460 -9.175 1.00 0.00 C ATOM 372 CG TYR A 25 10.084 -34.617 -8.203 1.00 0.00 C ATOM 373 CD1 TYR A 25 9.526 -35.841 -8.539 1.00 0.00 C ATOM 374 CD2 TYR A 25 10.709 -34.453 -6.975 1.00 0.00 C ATOM 375 CE1 TYR A 25 9.591 -36.898 -7.650 1.00 0.00 C ATOM 376 CE2 TYR A 25 10.773 -35.509 -6.087 1.00 0.00 C ATOM 377 CZ TYR A 25 10.218 -36.727 -6.421 1.00 0.00 C ATOM 378 OH TYR A 25 10.282 -37.779 -5.536 1.00 0.00 O ATOM 0 H TYR A 25 9.731 -32.056 -7.162 1.00 0.00 H new ATOM 0 HA TYR A 25 8.739 -31.851 -9.800 1.00 0.00 H new ATOM 0 HB2 TYR A 25 9.995 -33.852 -10.192 1.00 0.00 H new ATOM 0 HB3 TYR A 25 10.919 -32.862 -9.080 1.00 0.00 H new ATOM 0 HD1 TYR A 25 9.041 -35.969 -9.495 1.00 0.00 H new ATOM 0 HD2 TYR A 25 11.145 -33.500 -6.714 1.00 0.00 H new ATOM 0 HE1 TYR A 25 9.157 -37.852 -7.909 1.00 0.00 H new ATOM 0 HE2 TYR A 25 11.258 -35.381 -5.130 1.00 0.00 H new ATOM 0 HH TYR A 25 9.413 -37.890 -5.097 1.00 0.00 H new ATOM 388 N GLU A 26 6.981 -33.622 -7.770 1.00 0.00 N ATOM 389 CA GLU A 26 5.728 -34.353 -7.627 1.00 0.00 C ATOM 390 C GLU A 26 4.529 -33.440 -7.853 1.00 0.00 C ATOM 391 O GLU A 26 3.426 -33.906 -8.137 1.00 0.00 O ATOM 392 CB GLU A 26 5.639 -34.993 -6.239 1.00 0.00 C ATOM 393 CG GLU A 26 6.670 -36.083 -5.983 1.00 0.00 C ATOM 394 CD GLU A 26 6.537 -36.706 -4.622 1.00 0.00 C ATOM 395 OE1 GLU A 26 5.748 -36.225 -3.845 1.00 0.00 O ATOM 396 OE2 GLU A 26 7.227 -37.662 -4.358 1.00 0.00 O ATOM 0 H GLU A 26 7.395 -33.319 -6.888 1.00 0.00 H new ATOM 0 HA GLU A 26 5.711 -35.136 -8.385 1.00 0.00 H new ATOM 0 HB2 GLU A 26 5.756 -34.215 -5.485 1.00 0.00 H new ATOM 0 HB3 GLU A 26 4.642 -35.415 -6.110 1.00 0.00 H new ATOM 0 HG2 GLU A 26 6.569 -36.858 -6.743 1.00 0.00 H new ATOM 0 HG3 GLU A 26 7.670 -35.662 -6.088 1.00 0.00 H new ATOM 403 N ALA A 27 4.753 -32.136 -7.725 1.00 0.00 N ATOM 404 CA ALA A 27 3.670 -31.163 -7.793 1.00 0.00 C ATOM 405 C ALA A 27 3.350 -30.794 -9.237 1.00 0.00 C ATOM 406 O ALA A 27 4.223 -30.346 -9.981 1.00 0.00 O ATOM 407 CB ALA A 27 4.026 -29.917 -6.996 1.00 0.00 C ATOM 0 H ALA A 27 5.676 -31.729 -7.573 1.00 0.00 H new ATOM 0 HA ALA A 27 2.781 -31.619 -7.357 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.207 -29.200 -7.057 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.195 -30.188 -5.954 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.931 -29.469 -7.406 1.00 0.00 H new ATOM 413 N THR A 28 2.095 -30.985 -9.628 1.00 0.00 N ATOM 414 CA THR A 28 1.622 -30.539 -10.933 1.00 0.00 C ATOM 415 C THR A 28 0.955 -29.174 -10.839 1.00 0.00 C ATOM 416 O THR A 28 0.812 -28.615 -9.752 1.00 0.00 O ATOM 417 CB THR A 28 0.638 -31.555 -11.543 1.00 0.00 C ATOM 418 OG1 THR A 28 -0.559 -31.597 -10.756 1.00 0.00 O ATOM 419 CG2 THR A 28 1.262 -32.942 -11.585 1.00 0.00 C ATOM 0 H THR A 28 1.386 -31.447 -9.059 1.00 0.00 H new ATOM 0 HA THR A 28 2.494 -30.459 -11.583 1.00 0.00 H new ATOM 0 HB THR A 28 0.401 -31.243 -12.560 1.00 0.00 H new ATOM 0 HG1 THR A 28 -1.185 -32.242 -11.146 1.00 0.00 H new ATOM 0 HG21 THR A 28 0.553 -33.647 -12.019 1.00 0.00 H new ATOM 0 HG22 THR A 28 2.166 -32.916 -12.193 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.515 -33.258 -10.573 1.00 0.00 H new ATOM 427 N GLU A 29 0.548 -28.640 -11.986 1.00 0.00 N ATOM 428 CA GLU A 29 -0.176 -27.375 -12.028 1.00 0.00 C ATOM 429 C GLU A 29 -1.420 -27.423 -11.149 1.00 0.00 C ATOM 430 O GLU A 29 -1.689 -26.495 -10.387 1.00 0.00 O ATOM 431 CB GLU A 29 -0.569 -27.033 -13.467 1.00 0.00 C ATOM 432 CG GLU A 29 -1.319 -25.716 -13.618 1.00 0.00 C ATOM 433 CD GLU A 29 -1.676 -25.407 -15.045 1.00 0.00 C ATOM 434 OE1 GLU A 29 -1.255 -26.133 -15.913 1.00 0.00 O ATOM 435 OE2 GLU A 29 -2.371 -24.443 -15.267 1.00 0.00 O ATOM 0 H GLU A 29 0.708 -29.064 -12.900 1.00 0.00 H new ATOM 0 HA GLU A 29 0.486 -26.599 -11.644 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.333 -26.996 -14.078 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.189 -27.838 -13.863 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.230 -25.752 -13.020 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -0.707 -24.907 -13.218 1.00 0.00 H new ATOM 442 N GLU A 30 -2.176 -28.510 -11.262 1.00 0.00 N ATOM 443 CA GLU A 30 -3.402 -28.674 -10.489 1.00 0.00 C ATOM 444 C GLU A 30 -3.099 -28.854 -9.007 1.00 0.00 C ATOM 445 O GLU A 30 -3.862 -28.410 -8.150 1.00 0.00 O ATOM 446 CB GLU A 30 -4.202 -29.872 -11.006 1.00 0.00 C ATOM 447 CG GLU A 30 -4.779 -29.687 -12.402 1.00 0.00 C ATOM 448 CD GLU A 30 -5.745 -28.538 -12.488 1.00 0.00 C ATOM 449 OE1 GLU A 30 -6.591 -28.433 -11.634 1.00 0.00 O ATOM 450 OE2 GLU A 30 -5.637 -27.765 -13.412 1.00 0.00 O ATOM 0 H GLU A 30 -1.961 -29.291 -11.882 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.996 -27.768 -10.610 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.558 -30.751 -11.006 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.018 -30.075 -10.313 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.964 -29.524 -13.108 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.285 -30.604 -12.705 1.00 0.00 H new ATOM 457 N GLN A 31 -1.981 -29.508 -8.713 1.00 0.00 N ATOM 458 CA GLN A 31 -1.527 -29.667 -7.336 1.00 0.00 C ATOM 459 C GLN A 31 -1.184 -28.321 -6.711 1.00 0.00 C ATOM 460 O GLN A 31 -1.489 -28.072 -5.544 1.00 0.00 O ATOM 461 CB GLN A 31 -0.310 -30.595 -7.277 1.00 0.00 C ATOM 462 CG GLN A 31 0.152 -30.926 -5.868 1.00 0.00 C ATOM 463 CD GLN A 31 -0.882 -31.719 -5.091 1.00 0.00 C ATOM 464 OE1 GLN A 31 -1.364 -32.757 -5.554 1.00 0.00 O ATOM 465 NE2 GLN A 31 -1.228 -31.236 -3.904 1.00 0.00 N ATOM 0 H GLN A 31 -1.372 -29.937 -9.410 1.00 0.00 H new ATOM 0 HA GLN A 31 -2.343 -30.112 -6.766 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -0.549 -31.523 -7.797 1.00 0.00 H new ATOM 0 HB3 GLN A 31 0.514 -30.130 -7.818 1.00 0.00 H new ATOM 0 HG2 GLN A 31 1.080 -31.495 -5.917 1.00 0.00 H new ATOM 0 HG3 GLN A 31 0.373 -30.002 -5.334 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -0.804 -30.374 -3.561 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -1.918 -31.727 -3.335 1.00 0.00 H new ATOM 474 N LEU A 32 -0.549 -27.455 -7.494 1.00 0.00 N ATOM 475 CA LEU A 32 -0.220 -26.109 -7.038 1.00 0.00 C ATOM 476 C LEU A 32 -1.478 -25.291 -6.781 1.00 0.00 C ATOM 477 O LEU A 32 -1.531 -24.496 -5.843 1.00 0.00 O ATOM 478 CB LEU A 32 0.657 -25.398 -8.078 1.00 0.00 C ATOM 479 CG LEU A 32 2.079 -25.950 -8.240 1.00 0.00 C ATOM 480 CD1 LEU A 32 2.752 -25.280 -9.429 1.00 0.00 C ATOM 481 CD2 LEU A 32 2.865 -25.711 -6.959 1.00 0.00 C ATOM 0 H LEU A 32 -0.252 -27.661 -8.448 1.00 0.00 H new ATOM 0 HA LEU A 32 0.329 -26.198 -6.100 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.155 -25.449 -9.044 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.725 -24.344 -7.809 1.00 0.00 H new ATOM 0 HG LEU A 32 2.043 -27.023 -8.426 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.762 -25.672 -9.544 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.179 -25.483 -10.334 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.798 -24.204 -9.262 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.876 -26.103 -7.074 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.912 -24.641 -6.755 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.371 -26.217 -6.129 1.00 0.00 H new ATOM 493 N LYS A 33 -2.489 -25.491 -7.618 1.00 0.00 N ATOM 494 CA LYS A 33 -3.786 -24.852 -7.422 1.00 0.00 C ATOM 495 C LYS A 33 -4.387 -25.231 -6.075 1.00 0.00 C ATOM 496 O LYS A 33 -4.960 -24.391 -5.381 1.00 0.00 O ATOM 497 CB LYS A 33 -4.745 -25.229 -8.551 1.00 0.00 C ATOM 498 CG LYS A 33 -4.413 -24.597 -9.896 1.00 0.00 C ATOM 499 CD LYS A 33 -5.382 -25.054 -10.976 1.00 0.00 C ATOM 500 CE LYS A 33 -5.017 -24.469 -12.333 1.00 0.00 C ATOM 501 NZ LYS A 33 -5.915 -24.963 -13.412 1.00 0.00 N ATOM 0 H LYS A 33 -2.436 -26.092 -8.441 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.632 -23.773 -7.435 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.746 -26.313 -8.663 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.756 -24.937 -8.266 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.448 -23.511 -9.809 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.395 -24.861 -10.183 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.377 -26.142 -11.034 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.395 -24.753 -10.709 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.071 -23.381 -12.286 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.985 -24.726 -12.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.687 -24.477 -14.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.782 -25.987 -13.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.904 -24.770 -13.156 1.00 0.00 H new ATOM 515 N ASP A 34 -4.254 -26.502 -5.709 1.00 0.00 N ATOM 516 CA ASP A 34 -4.734 -26.983 -4.419 1.00 0.00 C ATOM 517 C ASP A 34 -3.906 -26.410 -3.275 1.00 0.00 C ATOM 518 O ASP A 34 -4.450 -25.978 -2.259 1.00 0.00 O ATOM 519 CB ASP A 34 -4.697 -28.512 -4.369 1.00 0.00 C ATOM 520 CG ASP A 34 -5.759 -29.160 -5.246 1.00 0.00 C ATOM 521 OD1 ASP A 34 -6.663 -28.472 -5.656 1.00 0.00 O ATOM 522 OD2 ASP A 34 -5.656 -30.336 -5.498 1.00 0.00 O ATOM 0 H ASP A 34 -3.817 -27.218 -6.289 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.764 -26.646 -4.302 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -3.712 -28.857 -4.685 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -4.834 -28.840 -3.339 1.00 0.00 H new ATOM 527 N ILE A 35 -2.589 -26.411 -3.447 1.00 0.00 N ATOM 528 CA ILE A 35 -1.681 -25.938 -2.409 1.00 0.00 C ATOM 529 C ILE A 35 -1.944 -24.476 -2.071 1.00 0.00 C ATOM 530 O ILE A 35 -2.133 -24.123 -0.907 1.00 0.00 O ATOM 531 CB ILE A 35 -0.213 -26.108 -2.843 1.00 0.00 C ATOM 532 CG1 ILE A 35 0.162 -27.591 -2.887 1.00 0.00 C ATOM 533 CG2 ILE A 35 0.711 -25.349 -1.904 1.00 0.00 C ATOM 534 CD1 ILE A 35 1.471 -27.869 -3.589 1.00 0.00 C ATOM 0 H ILE A 35 -2.126 -26.734 -4.296 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.863 -26.542 -1.520 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.098 -25.694 -3.845 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.219 -27.972 -1.867 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.633 -28.142 -3.389 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.744 -25.480 -2.226 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.457 -24.289 -1.922 1.00 0.00 H new ATOM 0 HG23 ILE A 35 0.595 -25.733 -0.890 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.668 -28.941 -3.580 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.412 -27.520 -4.620 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.278 -27.347 -3.075 1.00 0.00 H new ATOM 546 N PHE A 36 -1.956 -23.630 -3.095 1.00 0.00 N ATOM 547 CA PHE A 36 -2.002 -22.186 -2.896 1.00 0.00 C ATOM 548 C PHE A 36 -3.390 -21.734 -2.458 1.00 0.00 C ATOM 549 O PHE A 36 -3.549 -20.659 -1.880 1.00 0.00 O ATOM 550 CB PHE A 36 -1.604 -21.456 -4.179 1.00 0.00 C ATOM 551 CG PHE A 36 -0.123 -21.441 -4.434 1.00 0.00 C ATOM 552 CD1 PHE A 36 0.581 -22.626 -4.592 1.00 0.00 C ATOM 553 CD2 PHE A 36 0.570 -20.241 -4.513 1.00 0.00 C ATOM 554 CE1 PHE A 36 1.944 -22.612 -4.825 1.00 0.00 C ATOM 555 CE2 PHE A 36 1.931 -20.226 -4.746 1.00 0.00 C ATOM 556 CZ PHE A 36 2.618 -21.412 -4.902 1.00 0.00 C ATOM 0 H PHE A 36 -1.934 -23.920 -4.073 1.00 0.00 H new ATOM 0 HA PHE A 36 -1.292 -21.938 -2.107 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.104 -21.928 -5.025 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.965 -20.429 -4.128 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.059 -23.570 -4.532 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.039 -19.309 -4.391 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.481 -23.541 -4.947 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.458 -19.285 -4.806 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.682 -21.400 -5.084 1.00 0.00 H new ATOM 566 N SER A 37 -4.391 -22.560 -2.739 1.00 0.00 N ATOM 567 CA SER A 37 -5.765 -22.256 -2.358 1.00 0.00 C ATOM 568 C SER A 37 -5.936 -22.283 -0.844 1.00 0.00 C ATOM 569 O SER A 37 -6.878 -21.702 -0.306 1.00 0.00 O ATOM 570 CB SER A 37 -6.717 -23.246 -3.001 1.00 0.00 C ATOM 571 OG SER A 37 -6.606 -24.509 -2.404 1.00 0.00 O ATOM 0 H SER A 37 -4.277 -23.447 -3.230 1.00 0.00 H new ATOM 0 HA SER A 37 -5.997 -21.251 -2.710 1.00 0.00 H new ATOM 0 HB2 SER A 37 -7.741 -22.884 -2.908 1.00 0.00 H new ATOM 0 HB3 SER A 37 -6.502 -23.323 -4.067 1.00 0.00 H new ATOM 0 HG SER A 37 -5.686 -24.833 -2.494 1.00 0.00 H new ATOM 577 N GLU A 38 -5.020 -22.961 -0.163 1.00 0.00 N ATOM 578 CA GLU A 38 -5.113 -23.137 1.282 1.00 0.00 C ATOM 579 C GLU A 38 -4.933 -21.811 2.011 1.00 0.00 C ATOM 580 O GLU A 38 -5.381 -21.649 3.146 1.00 0.00 O ATOM 581 CB GLU A 38 -4.066 -24.143 1.767 1.00 0.00 C ATOM 582 CG GLU A 38 -4.315 -25.575 1.315 1.00 0.00 C ATOM 583 CD GLU A 38 -3.313 -26.547 1.872 1.00 0.00 C ATOM 584 OE1 GLU A 38 -2.382 -26.113 2.507 1.00 0.00 O ATOM 585 OE2 GLU A 38 -3.478 -27.725 1.662 1.00 0.00 O ATOM 0 H GLU A 38 -4.203 -23.399 -0.589 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.108 -23.521 1.507 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.085 -23.828 1.412 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -4.034 -24.119 2.856 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.316 -25.878 1.621 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -4.288 -25.617 0.226 1.00 0.00 H new ATOM 592 N VAL A 39 -4.272 -20.865 1.352 1.00 0.00 N ATOM 593 CA VAL A 39 -3.970 -19.576 1.961 1.00 0.00 C ATOM 594 C VAL A 39 -4.697 -18.444 1.246 1.00 0.00 C ATOM 595 O VAL A 39 -4.292 -17.284 1.326 1.00 0.00 O ATOM 596 CB VAL A 39 -2.453 -19.310 1.926 1.00 0.00 C ATOM 597 CG1 VAL A 39 -1.715 -20.326 2.787 1.00 0.00 C ATOM 598 CG2 VAL A 39 -1.953 -19.353 0.491 1.00 0.00 C ATOM 0 H VAL A 39 -3.935 -20.968 0.395 1.00 0.00 H new ATOM 0 HA VAL A 39 -4.311 -19.611 2.996 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.257 -18.318 2.333 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.644 -20.124 2.751 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.064 -20.252 3.817 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.907 -21.330 2.410 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.880 -19.164 0.474 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.155 -20.335 0.064 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.465 -18.590 -0.096 1.00 0.00 H new ATOM 608 N GLY A 40 -5.773 -18.788 0.545 1.00 0.00 N ATOM 609 CA GLY A 40 -6.644 -17.789 -0.059 1.00 0.00 C ATOM 610 C GLY A 40 -6.998 -18.161 -1.494 1.00 0.00 C ATOM 611 O GLY A 40 -6.279 -18.923 -2.141 1.00 0.00 O ATOM 0 H GLY A 40 -6.062 -19.753 0.382 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.556 -17.694 0.530 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.152 -16.817 -0.044 1.00 0.00 H new ATOM 615 N PRO A 41 -8.107 -17.619 -1.984 1.00 0.00 N ATOM 616 CA PRO A 41 -8.558 -17.893 -3.343 1.00 0.00 C ATOM 617 C PRO A 41 -7.508 -17.478 -4.366 1.00 0.00 C ATOM 618 O PRO A 41 -6.859 -16.443 -4.218 1.00 0.00 O ATOM 619 CB PRO A 41 -9.830 -17.048 -3.462 1.00 0.00 C ATOM 620 CG PRO A 41 -10.308 -16.908 -2.057 1.00 0.00 C ATOM 621 CD PRO A 41 -9.048 -16.771 -1.245 1.00 0.00 C ATOM 0 HA PRO A 41 -8.734 -18.952 -3.534 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -9.622 -16.077 -3.911 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -10.575 -17.536 -4.090 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -10.952 -16.036 -1.941 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -10.889 -17.777 -1.746 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -8.708 -15.737 -1.192 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -9.186 -17.114 -0.220 1.00 0.00 H new ATOM 629 N VAL A 42 -7.349 -18.290 -5.405 1.00 0.00 N ATOM 630 CA VAL A 42 -6.364 -18.019 -6.445 1.00 0.00 C ATOM 631 C VAL A 42 -7.034 -17.787 -7.794 1.00 0.00 C ATOM 632 O VAL A 42 -7.957 -18.508 -8.171 1.00 0.00 O ATOM 633 CB VAL A 42 -5.373 -19.193 -6.563 1.00 0.00 C ATOM 634 CG1 VAL A 42 -4.386 -18.947 -7.694 1.00 0.00 C ATOM 635 CG2 VAL A 42 -4.644 -19.389 -5.243 1.00 0.00 C ATOM 0 H VAL A 42 -7.890 -19.142 -5.549 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.827 -17.114 -6.162 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.928 -20.102 -6.793 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.694 -19.786 -7.762 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.928 -18.846 -8.634 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.828 -18.032 -7.497 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.945 -20.220 -5.333 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.097 -18.481 -4.991 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.367 -19.607 -4.457 1.00 0.00 H new ATOM 645 N VAL A 43 -6.563 -16.777 -8.517 1.00 0.00 N ATOM 646 CA VAL A 43 -7.107 -16.456 -9.830 1.00 0.00 C ATOM 647 C VAL A 43 -6.596 -17.423 -10.890 1.00 0.00 C ATOM 648 O VAL A 43 -7.380 -18.060 -11.593 1.00 0.00 O ATOM 649 CB VAL A 43 -6.731 -15.016 -10.229 1.00 0.00 C ATOM 650 CG1 VAL A 43 -7.139 -14.738 -11.667 1.00 0.00 C ATOM 651 CG2 VAL A 43 -7.390 -14.027 -9.280 1.00 0.00 C ATOM 0 H VAL A 43 -5.804 -16.166 -8.215 1.00 0.00 H new ATOM 0 HA VAL A 43 -8.192 -16.546 -9.769 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.650 -14.900 -10.157 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.866 -13.717 -11.932 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.627 -15.434 -12.331 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -8.217 -14.864 -11.770 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -7.120 -13.011 -9.568 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -8.473 -14.142 -9.329 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -7.050 -14.218 -8.262 1.00 0.00 H new ATOM 661 N SER A 44 -5.276 -17.528 -10.999 1.00 0.00 N ATOM 662 CA SER A 44 -4.655 -18.355 -12.028 1.00 0.00 C ATOM 663 C SER A 44 -3.144 -18.406 -11.855 1.00 0.00 C ATOM 664 O SER A 44 -2.560 -17.575 -11.161 1.00 0.00 O ATOM 665 CB SER A 44 -4.999 -17.820 -13.405 1.00 0.00 C ATOM 666 OG SER A 44 -4.412 -18.601 -14.407 1.00 0.00 O ATOM 0 H SER A 44 -4.615 -17.050 -10.387 1.00 0.00 H new ATOM 0 HA SER A 44 -5.044 -19.368 -11.926 1.00 0.00 H new ATOM 0 HB2 SER A 44 -6.081 -17.809 -13.535 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.656 -16.789 -13.495 1.00 0.00 H new ATOM 0 HG SER A 44 -4.649 -18.238 -15.286 1.00 0.00 H new ATOM 672 N PHE A 45 -2.513 -19.388 -12.492 1.00 0.00 N ATOM 673 CA PHE A 45 -1.058 -19.479 -12.511 1.00 0.00 C ATOM 674 C PHE A 45 -0.502 -19.102 -13.879 1.00 0.00 C ATOM 675 O PHE A 45 -1.182 -19.234 -14.895 1.00 0.00 O ATOM 676 CB PHE A 45 -0.606 -20.893 -12.144 1.00 0.00 C ATOM 677 CG PHE A 45 -0.824 -21.242 -10.699 1.00 0.00 C ATOM 678 CD1 PHE A 45 -2.093 -21.546 -10.228 1.00 0.00 C ATOM 679 CD2 PHE A 45 0.238 -21.268 -9.809 1.00 0.00 C ATOM 680 CE1 PHE A 45 -2.295 -21.868 -8.898 1.00 0.00 C ATOM 681 CE2 PHE A 45 0.040 -21.591 -8.479 1.00 0.00 C ATOM 682 CZ PHE A 45 -1.229 -21.890 -8.025 1.00 0.00 C ATOM 0 H PHE A 45 -2.988 -20.133 -13.002 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.672 -18.775 -11.773 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.143 -21.609 -12.766 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.453 -20.998 -12.378 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.932 -21.531 -10.907 1.00 0.00 H new ATOM 0 HD2 PHE A 45 1.233 -21.033 -10.158 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.288 -22.102 -8.544 1.00 0.00 H new ATOM 0 HE2 PHE A 45 0.877 -21.609 -7.797 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.386 -22.141 -6.986 1.00 0.00 H new ATOM 692 N ARG A 46 0.741 -18.631 -13.896 1.00 0.00 N ATOM 693 CA ARG A 46 1.414 -18.292 -15.144 1.00 0.00 C ATOM 694 C ARG A 46 2.800 -18.922 -15.210 1.00 0.00 C ATOM 695 O ARG A 46 3.629 -18.717 -14.323 1.00 0.00 O ATOM 696 CB ARG A 46 1.538 -16.783 -15.294 1.00 0.00 C ATOM 697 CG ARG A 46 0.219 -16.046 -15.457 1.00 0.00 C ATOM 698 CD ARG A 46 0.422 -14.582 -15.603 1.00 0.00 C ATOM 699 NE ARG A 46 -0.828 -13.884 -15.859 1.00 0.00 N ATOM 700 CZ ARG A 46 -1.670 -13.447 -14.902 1.00 0.00 C ATOM 701 NH1 ARG A 46 -1.382 -13.641 -13.634 1.00 0.00 N ATOM 702 NH2 ARG A 46 -2.784 -12.820 -15.237 1.00 0.00 N ATOM 0 H ARG A 46 1.303 -18.476 -13.059 1.00 0.00 H new ATOM 0 HA ARG A 46 0.809 -18.687 -15.960 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.053 -16.387 -14.419 1.00 0.00 H new ATOM 0 HB3 ARG A 46 2.167 -16.569 -16.158 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -0.306 -16.430 -16.332 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -0.416 -16.241 -14.593 1.00 0.00 H new ATOM 0 HD2 ARG A 46 0.879 -14.187 -14.696 1.00 0.00 H new ATOM 0 HD3 ARG A 46 1.118 -14.392 -16.420 1.00 0.00 H new ATOM 0 HE ARG A 46 -1.085 -13.713 -16.831 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -0.521 -14.122 -13.374 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -2.020 -13.310 -12.910 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -3.007 -12.667 -16.220 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -3.421 -12.489 -14.512 1.00 0.00 H new ATOM 716 N LEU A 47 3.046 -19.688 -16.267 1.00 0.00 N ATOM 717 CA LEU A 47 4.337 -20.341 -16.456 1.00 0.00 C ATOM 718 C LEU A 47 5.400 -19.341 -16.893 1.00 0.00 C ATOM 719 O LEU A 47 5.208 -18.596 -17.854 1.00 0.00 O ATOM 720 CB LEU A 47 4.217 -21.459 -17.500 1.00 0.00 C ATOM 721 CG LEU A 47 5.513 -22.213 -17.817 1.00 0.00 C ATOM 722 CD1 LEU A 47 5.967 -22.985 -16.585 1.00 0.00 C ATOM 723 CD2 LEU A 47 5.281 -23.150 -18.993 1.00 0.00 C ATOM 0 H LEU A 47 2.368 -19.872 -17.007 1.00 0.00 H new ATOM 0 HA LEU A 47 4.640 -20.769 -15.500 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.476 -22.178 -17.152 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.833 -21.028 -18.425 1.00 0.00 H new ATOM 0 HG LEU A 47 6.297 -21.506 -18.089 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.889 -23.521 -16.811 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.143 -22.290 -15.764 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.194 -23.698 -16.297 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.203 -23.686 -19.218 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.498 -23.865 -18.740 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.976 -22.571 -19.865 1.00 0.00 H new ATOM 735 N VAL A 48 6.522 -19.330 -16.182 1.00 0.00 N ATOM 736 CA VAL A 48 7.675 -18.532 -16.581 1.00 0.00 C ATOM 737 C VAL A 48 8.578 -19.306 -17.532 1.00 0.00 C ATOM 738 O VAL A 48 9.070 -20.384 -17.197 1.00 0.00 O ATOM 739 CB VAL A 48 8.484 -18.105 -15.342 1.00 0.00 C ATOM 740 CG1 VAL A 48 9.743 -17.360 -15.759 1.00 0.00 C ATOM 741 CG2 VAL A 48 7.623 -17.241 -14.433 1.00 0.00 C ATOM 0 H VAL A 48 6.658 -19.866 -15.325 1.00 0.00 H new ATOM 0 HA VAL A 48 7.303 -17.647 -17.097 1.00 0.00 H new ATOM 0 HB VAL A 48 8.785 -18.997 -14.792 1.00 0.00 H new ATOM 0 HG11 VAL A 48 10.303 -17.066 -14.871 1.00 0.00 H new ATOM 0 HG12 VAL A 48 10.361 -18.009 -16.379 1.00 0.00 H new ATOM 0 HG13 VAL A 48 9.468 -16.471 -16.326 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.202 -16.943 -13.559 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.300 -16.352 -14.975 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.749 -17.808 -14.113 1.00 0.00 H new ATOM 878 N LYS A 57 11.553 -22.009 -17.512 1.00 0.00 N ATOM 879 CA LYS A 57 12.674 -21.724 -16.625 1.00 0.00 C ATOM 880 C LYS A 57 12.576 -22.532 -15.337 1.00 0.00 C ATOM 881 O LYS A 57 13.511 -22.557 -14.536 1.00 0.00 O ATOM 882 CB LYS A 57 12.736 -20.229 -16.304 1.00 0.00 C ATOM 883 CG LYS A 57 13.031 -19.341 -17.505 1.00 0.00 C ATOM 884 CD LYS A 57 13.243 -17.894 -17.083 1.00 0.00 C ATOM 885 CE LYS A 57 13.409 -16.983 -18.290 1.00 0.00 C ATOM 886 NZ LYS A 57 13.633 -15.567 -17.891 1.00 0.00 N ATOM 0 HA LYS A 57 13.590 -22.014 -17.141 1.00 0.00 H new ATOM 0 HB2 LYS A 57 11.786 -19.924 -15.866 1.00 0.00 H new ATOM 0 HB3 LYS A 57 13.503 -20.063 -15.548 1.00 0.00 H new ATOM 0 HG2 LYS A 57 13.919 -19.706 -18.020 1.00 0.00 H new ATOM 0 HG3 LYS A 57 12.205 -19.398 -18.214 1.00 0.00 H new ATOM 0 HD2 LYS A 57 12.394 -17.559 -16.486 1.00 0.00 H new ATOM 0 HD3 LYS A 57 14.126 -17.824 -16.448 1.00 0.00 H new ATOM 0 HE2 LYS A 57 14.250 -17.328 -18.892 1.00 0.00 H new ATOM 0 HE3 LYS A 57 12.520 -17.047 -18.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 13.741 -14.979 -18.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 12.819 -15.229 -17.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 14.495 -15.501 -17.313 1.00 0.00 H new ATOM 900 N GLY A 58 11.439 -23.192 -15.143 1.00 0.00 N ATOM 901 CA GLY A 58 11.202 -23.971 -13.934 1.00 0.00 C ATOM 902 C GLY A 58 10.529 -23.128 -12.858 1.00 0.00 C ATOM 903 O GLY A 58 10.558 -23.473 -11.677 1.00 0.00 O ATOM 0 H GLY A 58 10.666 -23.203 -15.809 1.00 0.00 H new ATOM 0 HA2 GLY A 58 10.576 -24.832 -14.170 1.00 0.00 H new ATOM 0 HA3 GLY A 58 12.148 -24.359 -13.557 1.00 0.00 H new ATOM 907 N TYR A 59 9.923 -22.021 -13.274 1.00 0.00 N ATOM 908 CA TYR A 59 9.261 -21.114 -12.343 1.00 0.00 C ATOM 909 C TYR A 59 7.874 -20.729 -12.842 1.00 0.00 C ATOM 910 O TYR A 59 7.512 -21.018 -13.982 1.00 0.00 O ATOM 911 CB TYR A 59 10.111 -19.861 -12.121 1.00 0.00 C ATOM 912 CG TYR A 59 11.485 -20.148 -11.559 1.00 0.00 C ATOM 913 CD1 TYR A 59 12.575 -20.255 -12.412 1.00 0.00 C ATOM 914 CD2 TYR A 59 11.658 -20.304 -10.192 1.00 0.00 C ATOM 915 CE1 TYR A 59 13.831 -20.517 -11.898 1.00 0.00 C ATOM 916 CE2 TYR A 59 12.913 -20.566 -9.679 1.00 0.00 C ATOM 917 CZ TYR A 59 13.996 -20.673 -10.527 1.00 0.00 C ATOM 918 OH TYR A 59 15.247 -20.933 -10.015 1.00 0.00 O ATOM 0 H TYR A 59 9.877 -21.730 -14.251 1.00 0.00 H new ATOM 0 HA TYR A 59 9.146 -21.635 -11.392 1.00 0.00 H new ATOM 0 HB2 TYR A 59 10.219 -19.334 -13.069 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.584 -19.191 -11.442 1.00 0.00 H new ATOM 0 HD1 TYR A 59 12.442 -20.134 -13.477 1.00 0.00 H new ATOM 0 HD2 TYR A 59 10.810 -20.221 -9.528 1.00 0.00 H new ATOM 0 HE1 TYR A 59 14.681 -20.600 -12.559 1.00 0.00 H new ATOM 0 HE2 TYR A 59 13.047 -20.687 -8.614 1.00 0.00 H new ATOM 0 HH TYR A 59 15.191 -21.013 -9.040 1.00 0.00 H new ATOM 928 N GLY A 60 7.102 -20.077 -11.980 1.00 0.00 N ATOM 929 CA GLY A 60 5.767 -19.617 -12.345 1.00 0.00 C ATOM 930 C GLY A 60 5.328 -18.451 -11.468 1.00 0.00 C ATOM 931 O GLY A 60 6.003 -18.100 -10.501 1.00 0.00 O ATOM 0 H GLY A 60 7.378 -19.855 -11.023 1.00 0.00 H new ATOM 0 HA2 GLY A 60 5.758 -19.312 -13.391 1.00 0.00 H new ATOM 0 HA3 GLY A 60 5.057 -20.438 -12.246 1.00 0.00 H new ATOM 935 N PHE A 61 4.193 -17.852 -11.813 1.00 0.00 N ATOM 936 CA PHE A 61 3.543 -16.881 -10.941 1.00 0.00 C ATOM 937 C PHE A 61 2.173 -17.371 -10.494 1.00 0.00 C ATOM 938 O PHE A 61 1.534 -18.170 -11.180 1.00 0.00 O ATOM 939 CB PHE A 61 3.400 -15.534 -11.654 1.00 0.00 C ATOM 940 CG PHE A 61 4.697 -14.794 -11.815 1.00 0.00 C ATOM 941 CD1 PHE A 61 5.440 -14.912 -12.980 1.00 0.00 C ATOM 942 CD2 PHE A 61 5.178 -13.978 -10.801 1.00 0.00 C ATOM 943 CE1 PHE A 61 6.633 -14.230 -13.130 1.00 0.00 C ATOM 944 CE2 PHE A 61 6.369 -13.295 -10.948 1.00 0.00 C ATOM 945 CZ PHE A 61 7.098 -13.422 -12.114 1.00 0.00 C ATOM 0 H PHE A 61 3.704 -18.022 -12.692 1.00 0.00 H new ATOM 0 HA PHE A 61 4.171 -16.757 -10.058 1.00 0.00 H new ATOM 0 HB2 PHE A 61 2.962 -15.699 -12.638 1.00 0.00 H new ATOM 0 HB3 PHE A 61 2.703 -14.910 -11.095 1.00 0.00 H new ATOM 0 HD1 PHE A 61 5.082 -15.544 -13.779 1.00 0.00 H new ATOM 0 HD2 PHE A 61 4.614 -13.876 -9.886 1.00 0.00 H new ATOM 0 HE1 PHE A 61 7.201 -14.330 -14.043 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.730 -12.662 -10.151 1.00 0.00 H new ATOM 0 HZ PHE A 61 8.030 -12.890 -12.230 1.00 0.00 H new ATOM 955 N CYS A 62 1.725 -16.891 -9.339 1.00 0.00 N ATOM 956 CA CYS A 62 0.403 -17.230 -8.829 1.00 0.00 C ATOM 957 C CYS A 62 -0.376 -15.980 -8.438 1.00 0.00 C ATOM 958 O CYS A 62 -0.063 -15.329 -7.442 1.00 0.00 O ATOM 959 CB CYS A 62 0.515 -18.153 -7.615 1.00 0.00 C ATOM 960 SG CYS A 62 -1.076 -18.624 -6.895 1.00 0.00 S ATOM 0 H CYS A 62 2.260 -16.265 -8.738 1.00 0.00 H new ATOM 0 HA CYS A 62 -0.133 -17.743 -9.628 1.00 0.00 H new ATOM 0 HB2 CYS A 62 1.051 -19.056 -7.907 1.00 0.00 H new ATOM 0 HB3 CYS A 62 1.115 -17.659 -6.851 1.00 0.00 H new ATOM 0 HG CYS A 62 -0.880 -19.459 -5.918 1.00 0.00 H new ATOM 966 N GLU A 63 -1.390 -15.650 -9.230 1.00 0.00 N ATOM 967 CA GLU A 63 -2.210 -14.472 -8.973 1.00 0.00 C ATOM 968 C GLU A 63 -3.354 -14.795 -8.019 1.00 0.00 C ATOM 969 O GLU A 63 -4.175 -15.670 -8.294 1.00 0.00 O ATOM 970 CB GLU A 63 -2.768 -13.913 -10.283 1.00 0.00 C ATOM 971 CG GLU A 63 -3.610 -12.655 -10.124 1.00 0.00 C ATOM 972 CD GLU A 63 -4.119 -12.121 -11.434 1.00 0.00 C ATOM 973 OE1 GLU A 63 -3.622 -12.533 -12.454 1.00 0.00 O ATOM 974 OE2 GLU A 63 -5.008 -11.303 -11.414 1.00 0.00 O ATOM 0 H GLU A 63 -1.664 -16.182 -10.056 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.574 -13.720 -8.506 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.937 -13.696 -10.954 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -3.373 -14.682 -10.763 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -4.456 -12.871 -9.472 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.015 -11.886 -9.631 1.00 0.00 H new ATOM 981 N TYR A 64 -3.403 -14.082 -6.899 1.00 0.00 N ATOM 982 CA TYR A 64 -4.472 -14.259 -5.924 1.00 0.00 C ATOM 983 C TYR A 64 -5.614 -13.283 -6.175 1.00 0.00 C ATOM 984 O TYR A 64 -5.468 -12.323 -6.930 1.00 0.00 O ATOM 985 CB TYR A 64 -3.934 -14.091 -4.501 1.00 0.00 C ATOM 986 CG TYR A 64 -3.210 -15.311 -3.975 1.00 0.00 C ATOM 987 CD1 TYR A 64 -1.893 -15.548 -4.342 1.00 0.00 C ATOM 988 CD2 TYR A 64 -3.862 -16.191 -3.126 1.00 0.00 C ATOM 989 CE1 TYR A 64 -1.231 -16.661 -3.861 1.00 0.00 C ATOM 990 CE2 TYR A 64 -3.201 -17.306 -2.645 1.00 0.00 C ATOM 991 CZ TYR A 64 -1.892 -17.541 -3.009 1.00 0.00 C ATOM 992 OH TYR A 64 -1.233 -18.650 -2.530 1.00 0.00 O ATOM 0 H TYR A 64 -2.713 -13.375 -6.644 1.00 0.00 H new ATOM 0 HA TYR A 64 -4.861 -15.271 -6.035 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -3.255 -13.239 -4.477 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -4.764 -13.856 -3.834 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -1.385 -14.862 -5.004 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -4.887 -16.006 -2.840 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -0.206 -16.847 -4.145 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -3.710 -17.993 -1.984 1.00 0.00 H new ATOM 0 HH TYR A 64 -1.887 -19.324 -2.251 1.00 0.00 H new ATOM 1002 N GLN A 65 -6.752 -13.535 -5.536 1.00 0.00 N ATOM 1003 CA GLN A 65 -7.917 -12.668 -5.676 1.00 0.00 C ATOM 1004 C GLN A 65 -7.856 -11.502 -4.699 1.00 0.00 C ATOM 1005 O GLN A 65 -8.699 -10.606 -4.733 1.00 0.00 O ATOM 1006 CB GLN A 65 -9.206 -13.465 -5.460 1.00 0.00 C ATOM 1007 CG GLN A 65 -9.478 -14.512 -6.528 1.00 0.00 C ATOM 1008 CD GLN A 65 -10.780 -15.254 -6.292 1.00 0.00 C ATOM 1009 OE1 GLN A 65 -11.574 -14.881 -5.425 1.00 0.00 O ATOM 1010 NE2 GLN A 65 -11.006 -16.309 -7.066 1.00 0.00 N ATOM 0 H GLN A 65 -6.892 -14.333 -4.916 1.00 0.00 H new ATOM 0 HA GLN A 65 -7.913 -12.266 -6.689 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -9.157 -13.957 -4.489 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -10.047 -12.772 -5.424 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -9.509 -14.030 -7.505 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -8.655 -15.226 -6.551 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -10.320 -16.581 -7.771 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -11.865 -16.848 -6.956 1.00 0.00 H new ATOM 1019 N ASP A 66 -6.853 -11.518 -3.826 1.00 0.00 N ATOM 1020 CA ASP A 66 -6.695 -10.473 -2.823 1.00 0.00 C ATOM 1021 C ASP A 66 -5.235 -10.319 -2.414 1.00 0.00 C ATOM 1022 O ASP A 66 -4.510 -11.306 -2.283 1.00 0.00 O ATOM 1023 CB ASP A 66 -7.547 -10.780 -1.589 1.00 0.00 C ATOM 1024 CG ASP A 66 -7.761 -9.563 -0.699 1.00 0.00 C ATOM 1025 OD1 ASP A 66 -6.803 -9.085 -0.139 1.00 0.00 O ATOM 1026 OD2 ASP A 66 -8.881 -9.123 -0.588 1.00 0.00 O ATOM 0 H ASP A 66 -6.138 -12.244 -3.794 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.031 -9.536 -3.266 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.515 -11.165 -1.909 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -7.067 -11.568 -1.009 1.00 0.00 H new ATOM 1031 N GLN A 67 -4.809 -9.078 -2.211 1.00 0.00 N ATOM 1032 CA GLN A 67 -3.428 -8.791 -1.845 1.00 0.00 C ATOM 1033 C GLN A 67 -3.074 -9.414 -0.501 1.00 0.00 C ATOM 1034 O GLN A 67 -1.937 -9.832 -0.280 1.00 0.00 O ATOM 1035 CB GLN A 67 -3.188 -7.279 -1.799 1.00 0.00 C ATOM 1036 CG GLN A 67 -3.221 -6.602 -3.158 1.00 0.00 C ATOM 1037 CD GLN A 67 -2.987 -5.106 -3.065 1.00 0.00 C ATOM 1038 OE1 GLN A 67 -2.426 -4.610 -2.084 1.00 0.00 O ATOM 1039 NE2 GLN A 67 -3.418 -4.376 -4.088 1.00 0.00 N ATOM 0 H GLN A 67 -5.402 -8.252 -2.294 1.00 0.00 H new ATOM 0 HA GLN A 67 -2.784 -9.230 -2.607 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -3.943 -6.822 -1.159 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -2.220 -7.090 -1.335 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.461 -7.047 -3.801 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -4.186 -6.787 -3.630 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.877 -4.828 -4.879 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -3.290 -3.364 -4.082 1.00 0.00 H new ATOM 1048 N GLU A 68 -4.055 -9.475 0.394 1.00 0.00 N ATOM 1049 CA GLU A 68 -3.836 -10.007 1.734 1.00 0.00 C ATOM 1050 C GLU A 68 -3.554 -11.503 1.693 1.00 0.00 C ATOM 1051 O GLU A 68 -2.810 -12.027 2.523 1.00 0.00 O ATOM 1052 CB GLU A 68 -5.052 -9.731 2.622 1.00 0.00 C ATOM 1053 CG GLU A 68 -5.264 -8.262 2.960 1.00 0.00 C ATOM 1054 CD GLU A 68 -4.127 -7.674 3.749 1.00 0.00 C ATOM 1055 OE1 GLU A 68 -3.692 -8.300 4.685 1.00 0.00 O ATOM 1056 OE2 GLU A 68 -3.694 -6.596 3.414 1.00 0.00 O ATOM 0 H GLU A 68 -5.009 -9.162 0.215 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.964 -9.505 2.154 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.944 -10.109 2.123 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.944 -10.293 3.550 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.390 -7.696 2.037 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -6.188 -8.155 3.528 1.00 0.00 H new ATOM 1063 N THR A 69 -4.151 -12.187 0.723 1.00 0.00 N ATOM 1064 CA THR A 69 -3.939 -13.620 0.553 1.00 0.00 C ATOM 1065 C THR A 69 -2.626 -13.900 -0.167 1.00 0.00 C ATOM 1066 O THR A 69 -1.993 -14.932 0.057 1.00 0.00 O ATOM 1067 CB THR A 69 -5.102 -14.264 -0.223 1.00 0.00 C ATOM 1068 OG1 THR A 69 -5.224 -13.642 -1.509 1.00 0.00 O ATOM 1069 CG2 THR A 69 -6.407 -14.101 0.540 1.00 0.00 C ATOM 0 H THR A 69 -4.786 -11.772 0.042 1.00 0.00 H new ATOM 0 HA THR A 69 -3.894 -14.060 1.549 1.00 0.00 H new ATOM 0 HB THR A 69 -4.894 -15.327 -0.344 1.00 0.00 H new ATOM 0 HG1 THR A 69 -4.626 -12.867 -1.555 1.00 0.00 H new ATOM 0 HG21 THR A 69 -7.218 -14.562 -0.024 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.322 -14.583 1.514 1.00 0.00 H new ATOM 0 HG23 THR A 69 -6.618 -13.041 0.678 1.00 0.00 H new ATOM 1077 N ALA A 70 -2.221 -12.976 -1.031 1.00 0.00 N ATOM 1078 CA ALA A 70 -0.905 -13.035 -1.657 1.00 0.00 C ATOM 1079 C ALA A 70 0.201 -12.812 -0.635 1.00 0.00 C ATOM 1080 O ALA A 70 1.218 -13.506 -0.645 1.00 0.00 O ATOM 1081 CB ALA A 70 -0.806 -12.010 -2.777 1.00 0.00 C ATOM 0 H ALA A 70 -2.786 -12.176 -1.314 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.777 -14.032 -2.079 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.182 -12.066 -3.235 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.567 -12.218 -3.529 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.962 -11.011 -2.370 1.00 0.00 H new ATOM 1087 N LEU A 71 -0.002 -11.840 0.247 1.00 0.00 N ATOM 1088 CA LEU A 71 0.926 -11.594 1.344 1.00 0.00 C ATOM 1089 C LEU A 71 1.009 -12.796 2.277 1.00 0.00 C ATOM 1090 O LEU A 71 2.099 -13.241 2.635 1.00 0.00 O ATOM 1091 CB LEU A 71 0.493 -10.354 2.138 1.00 0.00 C ATOM 1092 CG LEU A 71 1.366 -10.001 3.349 1.00 0.00 C ATOM 1093 CD1 LEU A 71 2.785 -9.704 2.883 1.00 0.00 C ATOM 1094 CD2 LEU A 71 0.767 -8.805 4.074 1.00 0.00 C ATOM 0 H LEU A 71 -0.803 -11.208 0.223 1.00 0.00 H new ATOM 0 HA LEU A 71 1.913 -11.423 0.913 1.00 0.00 H new ATOM 0 HB2 LEU A 71 0.479 -9.499 1.462 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.530 -10.505 2.482 1.00 0.00 H new ATOM 0 HG LEU A 71 1.401 -10.842 4.042 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.405 -9.453 3.743 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.195 -10.582 2.383 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.772 -8.864 2.188 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.387 -8.554 4.935 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.724 -7.953 3.396 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.240 -9.051 4.411 1.00 0.00 H new ATOM 1106 N SER A 72 -0.150 -13.319 2.664 1.00 0.00 N ATOM 1107 CA SER A 72 -0.210 -14.500 3.516 1.00 0.00 C ATOM 1108 C SER A 72 0.505 -15.681 2.871 1.00 0.00 C ATOM 1109 O SER A 72 1.220 -16.426 3.540 1.00 0.00 O ATOM 1110 CB SER A 72 -1.653 -14.865 3.800 1.00 0.00 C ATOM 1111 OG SER A 72 -2.288 -13.864 4.547 1.00 0.00 O ATOM 0 H SER A 72 -1.061 -12.943 2.401 1.00 0.00 H new ATOM 0 HA SER A 72 0.295 -14.265 4.453 1.00 0.00 H new ATOM 0 HB2 SER A 72 -2.185 -15.015 2.861 1.00 0.00 H new ATOM 0 HB3 SER A 72 -1.693 -15.809 4.343 1.00 0.00 H new ATOM 0 HG SER A 72 -2.539 -13.124 3.956 1.00 0.00 H new ATOM 1117 N ALA A 73 0.307 -15.845 1.568 1.00 0.00 N ATOM 1118 CA ALA A 73 0.959 -16.916 0.823 1.00 0.00 C ATOM 1119 C ALA A 73 2.476 -16.823 0.939 1.00 0.00 C ATOM 1120 O ALA A 73 3.149 -17.818 1.209 1.00 0.00 O ATOM 1121 CB ALA A 73 0.537 -16.879 -0.638 1.00 0.00 C ATOM 0 H ALA A 73 -0.300 -15.249 1.005 1.00 0.00 H new ATOM 0 HA ALA A 73 0.645 -17.866 1.256 1.00 0.00 H new ATOM 0 HB1 ALA A 73 1.032 -17.684 -1.180 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.543 -17.005 -0.708 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.819 -15.921 -1.074 1.00 0.00 H new ATOM 1127 N MET A 74 3.007 -15.623 0.734 1.00 0.00 N ATOM 1128 CA MET A 74 4.439 -15.386 0.869 1.00 0.00 C ATOM 1129 C MET A 74 4.939 -15.805 2.246 1.00 0.00 C ATOM 1130 O MET A 74 5.998 -16.419 2.372 1.00 0.00 O ATOM 1131 CB MET A 74 4.758 -13.914 0.612 1.00 0.00 C ATOM 1132 CG MET A 74 6.235 -13.564 0.708 1.00 0.00 C ATOM 1133 SD MET A 74 6.532 -11.785 0.661 1.00 0.00 S ATOM 1134 CE MET A 74 6.052 -11.317 2.321 1.00 0.00 C ATOM 0 H MET A 74 2.466 -14.798 0.473 1.00 0.00 H new ATOM 0 HA MET A 74 4.954 -15.994 0.125 1.00 0.00 H new ATOM 0 HB2 MET A 74 4.397 -13.645 -0.381 1.00 0.00 H new ATOM 0 HB3 MET A 74 4.206 -13.305 1.328 1.00 0.00 H new ATOM 0 HG2 MET A 74 6.642 -13.972 1.633 1.00 0.00 H new ATOM 0 HG3 MET A 74 6.771 -14.040 -0.113 1.00 0.00 H new ATOM 0 HE1 MET A 74 5.477 -10.392 2.286 1.00 0.00 H new ATOM 0 HE2 MET A 74 5.442 -12.107 2.760 1.00 0.00 H new ATOM 0 HE3 MET A 74 6.944 -11.167 2.929 1.00 0.00 H new ATOM 1144 N ARG A 75 4.170 -15.469 3.276 1.00 0.00 N ATOM 1145 CA ARG A 75 4.581 -15.718 4.653 1.00 0.00 C ATOM 1146 C ARG A 75 4.411 -17.186 5.022 1.00 0.00 C ATOM 1147 O ARG A 75 5.190 -17.736 5.799 1.00 0.00 O ATOM 1148 CB ARG A 75 3.775 -14.859 5.616 1.00 0.00 C ATOM 1149 CG ARG A 75 4.071 -13.370 5.546 1.00 0.00 C ATOM 1150 CD ARG A 75 3.205 -12.594 6.470 1.00 0.00 C ATOM 1151 NE ARG A 75 3.518 -11.174 6.442 1.00 0.00 N ATOM 1152 CZ ARG A 75 2.846 -10.229 7.129 1.00 0.00 C ATOM 1153 NH1 ARG A 75 1.829 -10.568 7.890 1.00 0.00 N ATOM 1154 NH2 ARG A 75 3.209 -8.962 7.036 1.00 0.00 N ATOM 0 H ARG A 75 3.257 -15.023 3.183 1.00 0.00 H new ATOM 0 HA ARG A 75 5.636 -15.457 4.732 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.714 -15.014 5.417 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.963 -15.205 6.633 1.00 0.00 H new ATOM 0 HG2 ARG A 75 5.118 -13.195 5.795 1.00 0.00 H new ATOM 0 HG3 ARG A 75 3.923 -13.017 4.525 1.00 0.00 H new ATOM 0 HD2 ARG A 75 2.160 -12.741 6.197 1.00 0.00 H new ATOM 0 HD3 ARG A 75 3.326 -12.973 7.485 1.00 0.00 H new ATOM 0 HE ARG A 75 4.301 -10.872 5.862 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.549 -11.546 7.961 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.320 -9.853 8.410 1.00 0.00 H new ATOM 0 HH21 ARG A 75 3.997 -8.699 6.444 1.00 0.00 H new ATOM 0 HH22 ARG A 75 2.701 -8.246 7.556 1.00 0.00 H new ATOM 1168 N ASN A 76 3.385 -17.818 4.458 1.00 0.00 N ATOM 1169 CA ASN A 76 2.974 -19.148 4.890 1.00 0.00 C ATOM 1170 C ASN A 76 3.628 -20.230 4.039 1.00 0.00 C ATOM 1171 O ASN A 76 4.240 -21.160 4.564 1.00 0.00 O ATOM 1172 CB ASN A 76 1.463 -19.278 4.851 1.00 0.00 C ATOM 1173 CG ASN A 76 0.786 -18.485 5.934 1.00 0.00 C ATOM 1174 OD1 ASN A 76 1.405 -18.142 6.948 1.00 0.00 O ATOM 1175 ND2 ASN A 76 -0.473 -18.187 5.739 1.00 0.00 N ATOM 0 H ASN A 76 2.824 -17.429 3.700 1.00 0.00 H new ATOM 0 HA ASN A 76 3.307 -19.285 5.919 1.00 0.00 H new ATOM 0 HB2 ASN A 76 1.098 -18.944 3.880 1.00 0.00 H new ATOM 0 HB3 ASN A 76 1.190 -20.329 4.950 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -0.984 -17.650 6.439 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -0.943 -18.491 4.886 1.00 0.00 H new ATOM 1182 N LEU A 77 3.495 -20.102 2.723 1.00 0.00 N ATOM 1183 CA LEU A 77 3.905 -21.157 1.805 1.00 0.00 C ATOM 1184 C LEU A 77 5.420 -21.195 1.652 1.00 0.00 C ATOM 1185 O LEU A 77 6.002 -22.251 1.403 1.00 0.00 O ATOM 1186 CB LEU A 77 3.251 -20.952 0.434 1.00 0.00 C ATOM 1187 CG LEU A 77 1.726 -21.118 0.393 1.00 0.00 C ATOM 1188 CD1 LEU A 77 1.214 -20.769 -0.998 1.00 0.00 C ATOM 1189 CD2 LEU A 77 1.360 -22.546 0.769 1.00 0.00 C ATOM 0 H LEU A 77 3.106 -19.276 2.268 1.00 0.00 H new ATOM 0 HA LEU A 77 3.577 -22.109 2.222 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.499 -19.951 0.080 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.694 -21.658 -0.269 1.00 0.00 H new ATOM 0 HG LEU A 77 1.258 -20.444 1.110 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.131 -20.887 -1.027 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.473 -19.737 -1.233 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.671 -21.433 -1.731 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.277 -22.664 0.740 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.819 -23.237 0.062 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.721 -22.762 1.775 1.00 0.00 H new ATOM 1201 N ASN A 78 6.054 -20.037 1.800 1.00 0.00 N ATOM 1202 CA ASN A 78 7.495 -19.922 1.607 1.00 0.00 C ATOM 1203 C ASN A 78 8.258 -20.634 2.717 1.00 0.00 C ATOM 1204 O ASN A 78 8.252 -20.196 3.867 1.00 0.00 O ATOM 1205 CB ASN A 78 7.907 -18.464 1.526 1.00 0.00 C ATOM 1206 CG ASN A 78 9.357 -18.293 1.164 1.00 0.00 C ATOM 1207 OD1 ASN A 78 10.224 -19.019 1.663 1.00 0.00 O ATOM 1208 ND2 ASN A 78 9.636 -17.347 0.304 1.00 0.00 N ATOM 0 H ASN A 78 5.592 -19.164 2.053 1.00 0.00 H new ATOM 0 HA ASN A 78 7.747 -20.407 0.664 1.00 0.00 H new ATOM 0 HB2 ASN A 78 7.289 -17.956 0.786 1.00 0.00 H new ATOM 0 HB3 ASN A 78 7.716 -17.982 2.485 1.00 0.00 H new ATOM 0 HD21 ASN A 78 10.602 -17.185 0.020 1.00 0.00 H new ATOM 0 HD22 ASN A 78 8.887 -16.772 -0.082 1.00 0.00 H new ATOM 1215 N GLY A 79 8.914 -21.734 2.364 1.00 0.00 N ATOM 1216 CA GLY A 79 9.670 -22.520 3.333 1.00 0.00 C ATOM 1217 C GLY A 79 8.905 -23.771 3.745 1.00 0.00 C ATOM 1218 O GLY A 79 9.419 -24.609 4.486 1.00 0.00 O ATOM 0 H GLY A 79 8.938 -22.102 1.413 1.00 0.00 H new ATOM 0 HA2 GLY A 79 10.631 -22.803 2.905 1.00 0.00 H new ATOM 0 HA3 GLY A 79 9.880 -21.913 4.213 1.00 0.00 H new ATOM 1222 N ARG A 80 7.674 -23.892 3.259 1.00 0.00 N ATOM 1223 CA ARG A 80 6.839 -25.046 3.569 1.00 0.00 C ATOM 1224 C ARG A 80 7.307 -26.283 2.813 1.00 0.00 C ATOM 1225 O ARG A 80 7.541 -26.233 1.605 1.00 0.00 O ATOM 1226 CB ARG A 80 5.384 -24.763 3.221 1.00 0.00 C ATOM 1227 CG ARG A 80 4.410 -25.865 3.604 1.00 0.00 C ATOM 1228 CD ARG A 80 2.998 -25.434 3.434 1.00 0.00 C ATOM 1229 NE ARG A 80 2.067 -26.534 3.627 1.00 0.00 N ATOM 1230 CZ ARG A 80 0.745 -26.470 3.381 1.00 0.00 C ATOM 1231 NH1 ARG A 80 0.213 -25.355 2.932 1.00 0.00 N ATOM 1232 NH2 ARG A 80 -0.019 -27.529 3.589 1.00 0.00 N ATOM 0 H ARG A 80 7.233 -23.204 2.649 1.00 0.00 H new ATOM 0 HA ARG A 80 6.925 -25.235 4.639 1.00 0.00 H new ATOM 0 HB2 ARG A 80 5.080 -23.841 3.716 1.00 0.00 H new ATOM 0 HB3 ARG A 80 5.309 -24.589 2.148 1.00 0.00 H new ATOM 0 HG2 ARG A 80 4.598 -26.746 2.991 1.00 0.00 H new ATOM 0 HG3 ARG A 80 4.579 -26.156 4.641 1.00 0.00 H new ATOM 0 HD2 ARG A 80 2.773 -24.639 4.145 1.00 0.00 H new ATOM 0 HD3 ARG A 80 2.864 -25.016 2.436 1.00 0.00 H new ATOM 0 HE ARG A 80 2.442 -27.417 3.973 1.00 0.00 H new ATOM 0 HH11 ARG A 80 0.802 -24.538 2.770 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -0.789 -25.307 2.746 1.00 0.00 H new ATOM 0 HH21 ARG A 80 0.393 -28.395 3.936 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -1.021 -27.480 3.402 1.00 0.00 H new ATOM 1246 N GLU A 81 7.442 -27.393 3.531 1.00 0.00 N ATOM 1247 CA GLU A 81 8.022 -28.606 2.965 1.00 0.00 C ATOM 1248 C GLU A 81 6.973 -29.423 2.223 1.00 0.00 C ATOM 1249 O GLU A 81 5.936 -29.777 2.784 1.00 0.00 O ATOM 1250 CB GLU A 81 8.661 -29.455 4.066 1.00 0.00 C ATOM 1251 CG GLU A 81 9.334 -30.726 3.569 1.00 0.00 C ATOM 1252 CD GLU A 81 9.943 -31.538 4.677 1.00 0.00 C ATOM 1253 OE1 GLU A 81 9.918 -31.090 5.799 1.00 0.00 O ATOM 1254 OE2 GLU A 81 10.434 -32.608 4.403 1.00 0.00 O ATOM 0 H GLU A 81 7.157 -27.478 4.507 1.00 0.00 H new ATOM 0 HA GLU A 81 8.791 -28.307 2.252 1.00 0.00 H new ATOM 0 HB2 GLU A 81 9.399 -28.850 4.593 1.00 0.00 H new ATOM 0 HB3 GLU A 81 7.894 -29.725 4.792 1.00 0.00 H new ATOM 0 HG2 GLU A 81 8.602 -31.335 3.039 1.00 0.00 H new ATOM 0 HG3 GLU A 81 10.110 -30.463 2.850 1.00 0.00 H new ATOM 1261 N PHE A 82 7.249 -29.723 0.958 1.00 0.00 N ATOM 1262 CA PHE A 82 6.396 -30.608 0.176 1.00 0.00 C ATOM 1263 C PHE A 82 7.178 -31.804 -0.351 1.00 0.00 C ATOM 1264 O PHE A 82 7.925 -31.690 -1.324 1.00 0.00 O ATOM 1265 CB PHE A 82 5.766 -29.849 -0.993 1.00 0.00 C ATOM 1266 CG PHE A 82 4.822 -28.760 -0.570 1.00 0.00 C ATOM 1267 CD1 PHE A 82 5.270 -27.455 -0.418 1.00 0.00 C ATOM 1268 CD2 PHE A 82 3.487 -29.036 -0.322 1.00 0.00 C ATOM 1269 CE1 PHE A 82 4.402 -26.452 -0.028 1.00 0.00 C ATOM 1270 CE2 PHE A 82 2.617 -28.036 0.065 1.00 0.00 C ATOM 1271 CZ PHE A 82 3.076 -26.742 0.213 1.00 0.00 C ATOM 0 H PHE A 82 8.059 -29.365 0.452 1.00 0.00 H new ATOM 0 HA PHE A 82 5.608 -30.973 0.834 1.00 0.00 H new ATOM 0 HB2 PHE A 82 6.559 -29.414 -1.601 1.00 0.00 H new ATOM 0 HB3 PHE A 82 5.230 -30.556 -1.626 1.00 0.00 H new ATOM 0 HD1 PHE A 82 6.307 -27.221 -0.606 1.00 0.00 H new ATOM 0 HD2 PHE A 82 3.122 -30.046 -0.433 1.00 0.00 H new ATOM 0 HE1 PHE A 82 4.763 -25.441 0.088 1.00 0.00 H new ATOM 0 HE2 PHE A 82 1.578 -28.266 0.252 1.00 0.00 H new ATOM 0 HZ PHE A 82 2.397 -25.959 0.517 1.00 0.00 H new ATOM 1281 N SER A 83 7.003 -32.951 0.295 1.00 0.00 N ATOM 1282 CA SER A 83 7.720 -34.163 -0.085 1.00 0.00 C ATOM 1283 C SER A 83 9.226 -33.936 -0.080 1.00 0.00 C ATOM 1284 O SER A 83 9.949 -34.485 -0.912 1.00 0.00 O ATOM 1285 CB SER A 83 7.273 -34.622 -1.460 1.00 0.00 C ATOM 1286 OG SER A 83 5.906 -34.925 -1.468 1.00 0.00 O ATOM 0 H SER A 83 6.370 -33.067 1.086 1.00 0.00 H new ATOM 0 HA SER A 83 7.489 -34.936 0.648 1.00 0.00 H new ATOM 0 HB2 SER A 83 7.481 -33.842 -2.193 1.00 0.00 H new ATOM 0 HB3 SER A 83 7.846 -35.500 -1.758 1.00 0.00 H new ATOM 0 HG SER A 83 5.683 -35.410 -2.290 1.00 0.00 H new ATOM 1292 N GLY A 84 9.694 -33.126 0.863 1.00 0.00 N ATOM 1293 CA GLY A 84 11.124 -32.918 1.054 1.00 0.00 C ATOM 1294 C GLY A 84 11.574 -31.590 0.456 1.00 0.00 C ATOM 1295 O GLY A 84 12.599 -31.036 0.850 1.00 0.00 O ATOM 0 H GLY A 84 9.103 -32.602 1.508 1.00 0.00 H new ATOM 0 HA2 GLY A 84 11.358 -32.938 2.118 1.00 0.00 H new ATOM 0 HA3 GLY A 84 11.678 -33.734 0.591 1.00 0.00 H new ATOM 1299 N ARG A 85 10.799 -31.086 -0.498 1.00 0.00 N ATOM 1300 CA ARG A 85 11.164 -29.873 -1.220 1.00 0.00 C ATOM 1301 C ARG A 85 10.464 -28.652 -0.635 1.00 0.00 C ATOM 1302 O ARG A 85 9.236 -28.570 -0.634 1.00 0.00 O ATOM 1303 CB ARG A 85 10.810 -29.999 -2.694 1.00 0.00 C ATOM 1304 CG ARG A 85 11.296 -28.854 -3.568 1.00 0.00 C ATOM 1305 CD ARG A 85 12.756 -28.941 -3.827 1.00 0.00 C ATOM 1306 NE ARG A 85 13.250 -27.779 -4.547 1.00 0.00 N ATOM 1307 CZ ARG A 85 14.494 -27.664 -5.053 1.00 0.00 C ATOM 1308 NH1 ARG A 85 15.356 -28.645 -4.908 1.00 0.00 N ATOM 1309 NH2 ARG A 85 14.847 -26.563 -5.694 1.00 0.00 N ATOM 0 H ARG A 85 9.913 -31.499 -0.789 1.00 0.00 H new ATOM 0 HA ARG A 85 12.241 -29.743 -1.117 1.00 0.00 H new ATOM 0 HB2 ARG A 85 11.228 -30.931 -3.075 1.00 0.00 H new ATOM 0 HB3 ARG A 85 9.727 -30.074 -2.788 1.00 0.00 H new ATOM 0 HG2 ARG A 85 10.757 -28.866 -4.515 1.00 0.00 H new ATOM 0 HG3 ARG A 85 11.068 -27.905 -3.083 1.00 0.00 H new ATOM 0 HD2 ARG A 85 13.288 -29.034 -2.880 1.00 0.00 H new ATOM 0 HD3 ARG A 85 12.969 -29.842 -4.402 1.00 0.00 H new ATOM 0 HE ARG A 85 12.610 -26.996 -4.679 1.00 0.00 H new ATOM 0 HH11 ARG A 85 15.084 -29.494 -4.412 1.00 0.00 H new ATOM 0 HH12 ARG A 85 16.297 -28.558 -5.291 1.00 0.00 H new ATOM 0 HH21 ARG A 85 14.178 -25.801 -5.805 1.00 0.00 H new ATOM 0 HH22 ARG A 85 15.788 -26.475 -6.077 1.00 0.00 H new ATOM 1323 N ALA A 86 11.254 -27.706 -0.138 1.00 0.00 N ATOM 1324 CA ALA A 86 10.714 -26.458 0.390 1.00 0.00 C ATOM 1325 C ALA A 86 10.249 -25.541 -0.734 1.00 0.00 C ATOM 1326 O ALA A 86 11.020 -25.204 -1.633 1.00 0.00 O ATOM 1327 CB ALA A 86 11.752 -25.754 1.252 1.00 0.00 C ATOM 0 H ALA A 86 12.270 -27.780 -0.090 1.00 0.00 H new ATOM 0 HA ALA A 86 9.849 -26.700 1.008 1.00 0.00 H new ATOM 0 HB1 ALA A 86 11.334 -24.825 1.639 1.00 0.00 H new ATOM 0 HB2 ALA A 86 12.032 -26.400 2.084 1.00 0.00 H new ATOM 0 HB3 ALA A 86 12.634 -25.533 0.651 1.00 0.00 H new ATOM 1333 N LEU A 87 8.984 -25.139 -0.678 1.00 0.00 N ATOM 1334 CA LEU A 87 8.403 -24.291 -1.711 1.00 0.00 C ATOM 1335 C LEU A 87 8.774 -22.828 -1.498 1.00 0.00 C ATOM 1336 O LEU A 87 8.703 -22.317 -0.380 1.00 0.00 O ATOM 1337 CB LEU A 87 6.877 -24.440 -1.723 1.00 0.00 C ATOM 1338 CG LEU A 87 6.136 -23.625 -2.792 1.00 0.00 C ATOM 1339 CD1 LEU A 87 6.488 -24.159 -4.173 1.00 0.00 C ATOM 1340 CD2 LEU A 87 4.638 -23.701 -2.541 1.00 0.00 C ATOM 0 H LEU A 87 8.341 -25.388 0.074 1.00 0.00 H new ATOM 0 HA LEU A 87 8.806 -24.612 -2.671 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.635 -25.493 -1.863 1.00 0.00 H new ATOM 0 HB3 LEU A 87 6.495 -24.152 -0.744 1.00 0.00 H new ATOM 0 HG LEU A 87 6.440 -22.580 -2.740 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.962 -23.580 -4.932 1.00 0.00 H new ATOM 0 HD12 LEU A 87 7.563 -24.074 -4.333 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.192 -25.206 -4.245 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.112 -23.122 -3.300 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.314 -24.741 -2.588 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.413 -23.295 -1.555 1.00 0.00 H new ATOM 1352 N ARG A 88 9.171 -22.161 -2.576 1.00 0.00 N ATOM 1353 CA ARG A 88 9.483 -20.737 -2.523 1.00 0.00 C ATOM 1354 C ARG A 88 8.327 -19.900 -3.056 1.00 0.00 C ATOM 1355 O ARG A 88 7.927 -20.042 -4.212 1.00 0.00 O ATOM 1356 CB ARG A 88 10.738 -20.435 -3.328 1.00 0.00 C ATOM 1357 CG ARG A 88 11.106 -18.962 -3.410 1.00 0.00 C ATOM 1358 CD ARG A 88 12.294 -18.738 -4.274 1.00 0.00 C ATOM 1359 NE ARG A 88 12.587 -17.324 -4.438 1.00 0.00 N ATOM 1360 CZ ARG A 88 13.535 -16.829 -5.257 1.00 0.00 C ATOM 1361 NH1 ARG A 88 14.273 -17.645 -5.976 1.00 0.00 N ATOM 1362 NH2 ARG A 88 13.725 -15.524 -5.335 1.00 0.00 N ATOM 0 H ARG A 88 9.284 -22.583 -3.497 1.00 0.00 H new ATOM 0 HA ARG A 88 9.652 -20.476 -1.478 1.00 0.00 H new ATOM 0 HB2 ARG A 88 11.574 -20.980 -2.889 1.00 0.00 H new ATOM 0 HB3 ARG A 88 10.604 -20.818 -4.340 1.00 0.00 H new ATOM 0 HG2 ARG A 88 10.260 -18.397 -3.801 1.00 0.00 H new ATOM 0 HG3 ARG A 88 11.308 -18.581 -2.409 1.00 0.00 H new ATOM 0 HD2 ARG A 88 13.159 -19.240 -3.839 1.00 0.00 H new ATOM 0 HD3 ARG A 88 12.122 -19.189 -5.251 1.00 0.00 H new ATOM 0 HE ARG A 88 12.036 -16.660 -3.895 1.00 0.00 H new ATOM 0 HH11 ARG A 88 14.128 -18.653 -5.914 1.00 0.00 H new ATOM 0 HH12 ARG A 88 14.991 -17.271 -6.596 1.00 0.00 H new ATOM 0 HH21 ARG A 88 13.154 -14.891 -4.775 1.00 0.00 H new ATOM 0 HH22 ARG A 88 14.443 -15.149 -5.955 1.00 0.00 H new ATOM 1376 N VAL A 89 7.794 -19.029 -2.208 1.00 0.00 N ATOM 1377 CA VAL A 89 6.774 -18.075 -2.628 1.00 0.00 C ATOM 1378 C VAL A 89 7.152 -16.654 -2.228 1.00 0.00 C ATOM 1379 O VAL A 89 7.134 -16.305 -1.048 1.00 0.00 O ATOM 1380 CB VAL A 89 5.414 -18.436 -2.003 1.00 0.00 C ATOM 1381 CG1 VAL A 89 4.354 -17.424 -2.412 1.00 0.00 C ATOM 1382 CG2 VAL A 89 5.009 -19.840 -2.424 1.00 0.00 C ATOM 0 H VAL A 89 8.052 -18.963 -1.223 1.00 0.00 H new ATOM 0 HA VAL A 89 6.701 -18.125 -3.714 1.00 0.00 H new ATOM 0 HB VAL A 89 5.505 -18.409 -0.917 1.00 0.00 H new ATOM 0 HG11 VAL A 89 3.399 -17.695 -1.961 1.00 0.00 H new ATOM 0 HG12 VAL A 89 4.648 -16.431 -2.071 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.255 -17.420 -3.497 1.00 0.00 H new ATOM 0 HG21 VAL A 89 4.046 -20.090 -1.979 1.00 0.00 H new ATOM 0 HG22 VAL A 89 4.929 -19.885 -3.510 1.00 0.00 H new ATOM 0 HG23 VAL A 89 5.761 -20.553 -2.085 1.00 0.00 H new ATOM 1392 N ASP A 90 7.494 -15.837 -3.219 1.00 0.00 N ATOM 1393 CA ASP A 90 7.828 -14.438 -2.978 1.00 0.00 C ATOM 1394 C ASP A 90 6.801 -13.508 -3.609 1.00 0.00 C ATOM 1395 O ASP A 90 6.244 -13.809 -4.665 1.00 0.00 O ATOM 1396 CB ASP A 90 9.220 -14.118 -3.527 1.00 0.00 C ATOM 1397 CG ASP A 90 10.328 -14.889 -2.822 1.00 0.00 C ATOM 1398 OD1 ASP A 90 10.113 -15.320 -1.714 1.00 0.00 O ATOM 1399 OD2 ASP A 90 11.379 -15.040 -3.398 1.00 0.00 O ATOM 0 H ASP A 90 7.547 -16.120 -4.197 1.00 0.00 H new ATOM 0 HA ASP A 90 7.821 -14.278 -1.900 1.00 0.00 H new ATOM 0 HB2 ASP A 90 9.246 -14.347 -4.592 1.00 0.00 H new ATOM 0 HB3 ASP A 90 9.408 -13.049 -3.426 1.00 0.00 H new ATOM 1404 N ASN A 91 6.552 -12.379 -2.956 1.00 0.00 N ATOM 1405 CA ASN A 91 5.668 -11.356 -3.503 1.00 0.00 C ATOM 1406 C ASN A 91 6.310 -10.652 -4.692 1.00 0.00 C ATOM 1407 O ASN A 91 7.418 -10.125 -4.590 1.00 0.00 O ATOM 1408 CB ASN A 91 5.285 -10.352 -2.431 1.00 0.00 C ATOM 1409 CG ASN A 91 4.219 -9.396 -2.889 1.00 0.00 C ATOM 1410 OD1 ASN A 91 4.410 -8.175 -2.861 1.00 0.00 O ATOM 1411 ND2 ASN A 91 3.100 -9.928 -3.310 1.00 0.00 N ATOM 0 H ASN A 91 6.950 -12.148 -2.046 1.00 0.00 H new ATOM 0 HA ASN A 91 4.762 -11.849 -3.855 1.00 0.00 H new ATOM 0 HB2 ASN A 91 4.934 -10.885 -1.547 1.00 0.00 H new ATOM 0 HB3 ASN A 91 6.169 -9.789 -2.133 1.00 0.00 H new ATOM 0 HD21 ASN A 91 2.340 -9.329 -3.633 1.00 0.00 H new ATOM 0 HD22 ASN A 91 2.987 -10.942 -3.315 1.00 0.00 H new ATOM 1418 N ALA A 92 5.607 -10.645 -5.820 1.00 0.00 N ATOM 1419 CA ALA A 92 6.181 -10.184 -7.077 1.00 0.00 C ATOM 1420 C ALA A 92 6.127 -8.665 -7.184 1.00 0.00 C ATOM 1421 O ALA A 92 5.584 -8.119 -8.144 1.00 0.00 O ATOM 1422 CB ALA A 92 5.460 -10.822 -8.255 1.00 0.00 C ATOM 0 H ALA A 92 4.637 -10.954 -5.888 1.00 0.00 H new ATOM 0 HA ALA A 92 7.228 -10.487 -7.098 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.901 -10.467 -9.187 1.00 0.00 H new ATOM 0 HB2 ALA A 92 5.557 -11.906 -8.197 1.00 0.00 H new ATOM 0 HB3 ALA A 92 4.405 -10.550 -8.226 1.00 0.00 H new ATOM 1428 N ALA A 93 6.692 -7.987 -6.190 1.00 0.00 N ATOM 1429 CA ALA A 93 6.719 -6.529 -6.176 1.00 0.00 C ATOM 1430 C ALA A 93 8.051 -5.998 -6.687 1.00 0.00 C ATOM 1431 O ALA A 93 8.202 -4.799 -6.926 1.00 0.00 O ATOM 1432 CB ALA A 93 6.445 -6.008 -4.772 1.00 0.00 C ATOM 0 H ALA A 93 7.137 -8.424 -5.383 1.00 0.00 H new ATOM 0 HA ALA A 93 5.936 -6.171 -6.844 1.00 0.00 H new ATOM 0 HB1 ALA A 93 6.468 -4.918 -4.777 1.00 0.00 H new ATOM 0 HB2 ALA A 93 5.463 -6.348 -4.443 1.00 0.00 H new ATOM 0 HB3 ALA A 93 7.207 -6.384 -4.089 1.00 0.00 H new