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 Set 1.1: A 62 CYS SG : rot -105:sc= 0.926 USER MOD Set 1.2: A 64 TYR OH : rot -167:sc= 0.181 USER MOD Set 2.1: A 28 THR OG1 : rot 180:sc= 0.0316 USER MOD Set 2.2: A 31 GLN : amide:sc= 0.105 K(o=0.14,f=-6.2!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 30:sc= 0.124 USER MOD Single : A 22 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 174:sc= 1.21 (180deg=1.18) USER MOD Single : A 37 SER OG : rot -86:sc= 1.25 USER MOD Single : A 44 SER OG : rot 180:sc= 0 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 65 GLN : amide:sc= -0.0958 K(o=-0.096,f=-0.9) USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.439 USER MOD Single : A 72 SER OG : rot 72:sc= 0.381 USER MOD Single : A 74 MET CE :methyl 157:sc= -0.134 (180deg=-0.658) USER MOD Single : A 76 ASN : amide:sc= -0.0256 K(o=-0.026,f=-1.5!) USER MOD Single : A 78 ASN : amide:sc= 0.389 K(o=0.39,f=-3.8!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= 0.244 K(o=0.24,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 160 N ASP A 12 -1.616 -4.504 -10.632 1.00 0.00 N ATOM 161 CA ASP A 12 -2.481 -5.024 -9.580 1.00 0.00 C ATOM 162 C ASP A 12 -2.448 -6.546 -9.541 1.00 0.00 C ATOM 163 O ASP A 12 -2.482 -7.150 -8.469 1.00 0.00 O ATOM 164 CB ASP A 12 -3.920 -4.544 -9.782 1.00 0.00 C ATOM 165 CG ASP A 12 -4.103 -3.067 -9.461 1.00 0.00 C ATOM 166 OD1 ASP A 12 -3.250 -2.510 -8.812 1.00 0.00 O ATOM 167 OD2 ASP A 12 -5.094 -2.509 -9.869 1.00 0.00 O ATOM 0 HA ASP A 12 -2.107 -4.646 -8.629 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -4.216 -4.725 -10.815 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -4.586 -5.133 -9.151 1.00 0.00 H new ATOM 172 N ARG A 13 -2.382 -7.162 -10.717 1.00 0.00 N ATOM 173 CA ARG A 13 -2.317 -8.615 -10.818 1.00 0.00 C ATOM 174 C ARG A 13 -1.004 -9.148 -10.260 1.00 0.00 C ATOM 175 O ARG A 13 -0.971 -10.207 -9.631 1.00 0.00 O ATOM 176 CB ARG A 13 -2.466 -9.057 -12.266 1.00 0.00 C ATOM 177 CG ARG A 13 -3.861 -8.887 -12.847 1.00 0.00 C ATOM 178 CD ARG A 13 -3.972 -9.498 -14.197 1.00 0.00 C ATOM 179 NE ARG A 13 -3.894 -10.949 -14.143 1.00 0.00 N ATOM 180 CZ ARG A 13 -3.745 -11.747 -15.218 1.00 0.00 C ATOM 181 NH1 ARG A 13 -3.660 -11.222 -16.420 1.00 0.00 N ATOM 182 NH2 ARG A 13 -3.684 -13.058 -15.064 1.00 0.00 N ATOM 0 H ARG A 13 -2.372 -6.677 -11.614 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.139 -9.022 -10.229 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -1.762 -8.492 -12.877 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.182 -10.107 -12.341 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -4.591 -9.344 -12.179 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -4.104 -7.826 -12.907 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -4.917 -9.202 -14.653 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -3.176 -9.115 -14.836 1.00 0.00 H new ATOM 0 HE ARG A 13 -3.956 -11.394 -13.227 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -3.707 -10.210 -16.539 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -3.547 -11.827 -17.234 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -3.750 -13.466 -14.131 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -3.571 -13.662 -15.878 1.00 0.00 H new ATOM 196 N SER A 14 0.075 -8.410 -10.492 1.00 0.00 N ATOM 197 CA SER A 14 1.387 -8.788 -9.979 1.00 0.00 C ATOM 198 C SER A 14 1.486 -8.536 -8.480 1.00 0.00 C ATOM 199 O SER A 14 2.258 -9.191 -7.781 1.00 0.00 O ATOM 200 CB SER A 14 2.473 -8.016 -10.703 1.00 0.00 C ATOM 201 OG SER A 14 2.448 -6.661 -10.347 1.00 0.00 O ATOM 0 H SER A 14 0.068 -7.545 -11.033 1.00 0.00 H new ATOM 0 HA SER A 14 1.522 -9.855 -10.156 1.00 0.00 H new ATOM 0 HB2 SER A 14 3.448 -8.441 -10.463 1.00 0.00 H new ATOM 0 HB3 SER A 14 2.338 -8.115 -11.780 1.00 0.00 H new ATOM 0 HG SER A 14 3.158 -6.184 -10.825 1.00 0.00 H new ATOM 207 N LEU A 15 0.698 -7.583 -7.992 1.00 0.00 N ATOM 208 CA LEU A 15 0.630 -7.303 -6.563 1.00 0.00 C ATOM 209 C LEU A 15 -0.137 -8.393 -5.825 1.00 0.00 C ATOM 210 O LEU A 15 0.170 -8.712 -4.676 1.00 0.00 O ATOM 211 CB LEU A 15 -0.040 -5.945 -6.320 1.00 0.00 C ATOM 212 CG LEU A 15 0.774 -4.717 -6.748 1.00 0.00 C ATOM 213 CD1 LEU A 15 -0.079 -3.464 -6.596 1.00 0.00 C ATOM 214 CD2 LEU A 15 2.036 -4.624 -5.903 1.00 0.00 C ATOM 0 H LEU A 15 0.097 -6.991 -8.566 1.00 0.00 H new ATOM 0 HA LEU A 15 1.649 -7.278 -6.178 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.992 -5.930 -6.850 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.266 -5.856 -5.257 1.00 0.00 H new ATOM 0 HG LEU A 15 1.066 -4.810 -7.794 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.499 -2.591 -6.900 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.966 -3.549 -7.224 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.382 -3.354 -5.555 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.614 -3.751 -6.207 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.764 -4.530 -4.852 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.635 -5.523 -6.044 1.00 0.00 H new ATOM 226 N ARG A 16 -1.136 -8.962 -6.491 1.00 0.00 N ATOM 227 CA ARG A 16 -1.885 -10.084 -5.938 1.00 0.00 C ATOM 228 C ARG A 16 -1.339 -11.413 -6.442 1.00 0.00 C ATOM 229 O ARG A 16 -2.099 -12.303 -6.824 1.00 0.00 O ATOM 230 CB ARG A 16 -3.359 -9.974 -6.301 1.00 0.00 C ATOM 231 CG ARG A 16 -3.685 -10.286 -7.753 1.00 0.00 C ATOM 232 CD ARG A 16 -5.105 -9.989 -8.073 1.00 0.00 C ATOM 233 NE ARG A 16 -5.467 -10.447 -9.405 1.00 0.00 N ATOM 234 CZ ARG A 16 -6.644 -10.189 -10.008 1.00 0.00 C ATOM 235 NH1 ARG A 16 -7.560 -9.479 -9.387 1.00 0.00 N ATOM 236 NH2 ARG A 16 -6.879 -10.651 -11.224 1.00 0.00 N ATOM 0 H ARG A 16 -1.446 -8.664 -7.416 1.00 0.00 H new ATOM 0 HA ARG A 16 -1.775 -10.049 -4.854 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -3.927 -10.651 -5.663 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -3.699 -8.963 -6.076 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -3.035 -9.703 -8.405 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -3.479 -11.337 -7.955 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -5.751 -10.467 -7.337 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -5.277 -8.915 -7.999 1.00 0.00 H new ATOM 0 HE ARG A 16 -4.782 -11.002 -9.918 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -7.380 -9.123 -8.448 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -8.451 -9.284 -9.844 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -6.169 -11.203 -11.706 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -7.770 -10.456 -11.680 1.00 0.00 H new ATOM 250 N SER A 17 -0.016 -11.543 -6.440 1.00 0.00 N ATOM 251 CA SER A 17 0.637 -12.742 -6.951 1.00 0.00 C ATOM 252 C SER A 17 1.986 -12.963 -6.279 1.00 0.00 C ATOM 253 O SER A 17 2.686 -12.008 -5.941 1.00 0.00 O ATOM 254 CB SER A 17 0.821 -12.636 -8.452 1.00 0.00 C ATOM 255 OG SER A 17 1.478 -13.766 -8.958 1.00 0.00 O ATOM 0 H SER A 17 0.625 -10.831 -6.090 1.00 0.00 H new ATOM 0 HA SER A 17 -0.002 -13.596 -6.724 1.00 0.00 H new ATOM 0 HB2 SER A 17 -0.151 -12.529 -8.935 1.00 0.00 H new ATOM 0 HB3 SER A 17 1.395 -11.740 -8.689 1.00 0.00 H new ATOM 0 HG SER A 17 1.263 -14.545 -8.404 1.00 0.00 H new ATOM 261 N VAL A 18 2.345 -14.228 -6.087 1.00 0.00 N ATOM 262 CA VAL A 18 3.633 -14.578 -5.500 1.00 0.00 C ATOM 263 C VAL A 18 4.436 -15.479 -6.430 1.00 0.00 C ATOM 264 O VAL A 18 3.869 -16.240 -7.214 1.00 0.00 O ATOM 265 CB VAL A 18 3.429 -15.289 -4.150 1.00 0.00 C ATOM 266 CG1 VAL A 18 2.757 -14.357 -3.153 1.00 0.00 C ATOM 267 CG2 VAL A 18 2.604 -16.551 -4.349 1.00 0.00 C ATOM 0 H VAL A 18 1.761 -15.028 -6.330 1.00 0.00 H new ATOM 0 HA VAL A 18 4.189 -13.653 -5.345 1.00 0.00 H new ATOM 0 HB VAL A 18 4.402 -15.569 -3.747 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.621 -14.876 -2.204 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.382 -13.477 -2.999 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.786 -14.049 -3.541 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.464 -17.049 -3.390 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.632 -16.288 -4.767 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.124 -17.222 -5.033 1.00 0.00 H new ATOM 277 N PHE A 19 5.758 -15.388 -6.338 1.00 0.00 N ATOM 278 CA PHE A 19 6.641 -16.231 -7.135 1.00 0.00 C ATOM 279 C PHE A 19 7.041 -17.487 -6.372 1.00 0.00 C ATOM 280 O PHE A 19 7.549 -17.410 -5.253 1.00 0.00 O ATOM 281 CB PHE A 19 7.895 -15.455 -7.543 1.00 0.00 C ATOM 282 CG PHE A 19 8.894 -16.277 -8.307 1.00 0.00 C ATOM 283 CD1 PHE A 19 8.569 -16.815 -9.544 1.00 0.00 C ATOM 284 CD2 PHE A 19 10.159 -16.513 -7.793 1.00 0.00 C ATOM 285 CE1 PHE A 19 9.487 -17.572 -10.248 1.00 0.00 C ATOM 286 CE2 PHE A 19 11.079 -17.267 -8.495 1.00 0.00 C ATOM 287 CZ PHE A 19 10.742 -17.797 -9.724 1.00 0.00 C ATOM 0 H PHE A 19 6.242 -14.738 -5.719 1.00 0.00 H new ATOM 0 HA PHE A 19 6.095 -16.530 -8.030 1.00 0.00 H new ATOM 0 HB2 PHE A 19 7.600 -14.600 -8.152 1.00 0.00 H new ATOM 0 HB3 PHE A 19 8.373 -15.059 -6.647 1.00 0.00 H new ATOM 0 HD1 PHE A 19 7.588 -16.641 -9.961 1.00 0.00 H new ATOM 0 HD2 PHE A 19 10.429 -16.102 -6.831 1.00 0.00 H new ATOM 0 HE1 PHE A 19 9.221 -17.987 -11.209 1.00 0.00 H new ATOM 0 HE2 PHE A 19 12.062 -17.442 -8.082 1.00 0.00 H new ATOM 0 HZ PHE A 19 11.460 -18.387 -10.274 1.00 0.00 H new ATOM 297 N VAL A 20 6.808 -18.644 -6.983 1.00 0.00 N ATOM 298 CA VAL A 20 7.087 -19.921 -6.337 1.00 0.00 C ATOM 299 C VAL A 20 8.263 -20.628 -6.999 1.00 0.00 C ATOM 300 O VAL A 20 8.339 -20.713 -8.225 1.00 0.00 O ATOM 301 CB VAL A 20 5.846 -20.831 -6.396 1.00 0.00 C ATOM 302 CG1 VAL A 20 6.130 -22.164 -5.719 1.00 0.00 C ATOM 303 CG2 VAL A 20 4.662 -20.136 -5.741 1.00 0.00 C ATOM 0 H VAL A 20 6.426 -18.723 -7.926 1.00 0.00 H new ATOM 0 HA VAL A 20 7.343 -19.718 -5.297 1.00 0.00 H new ATOM 0 HB VAL A 20 5.601 -21.027 -7.440 1.00 0.00 H new ATOM 0 HG11 VAL A 20 5.242 -22.794 -5.770 1.00 0.00 H new ATOM 0 HG12 VAL A 20 6.957 -22.661 -6.226 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.394 -21.993 -4.675 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.788 -20.786 -5.787 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.898 -19.918 -4.699 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.450 -19.205 -6.267 1.00 0.00 H new ATOM 313 N GLY A 21 9.179 -21.134 -6.180 1.00 0.00 N ATOM 314 CA GLY A 21 10.345 -21.849 -6.684 1.00 0.00 C ATOM 315 C GLY A 21 10.543 -23.168 -5.948 1.00 0.00 C ATOM 316 O GLY A 21 9.803 -23.488 -5.018 1.00 0.00 O ATOM 0 H GLY A 21 9.136 -21.062 -5.163 1.00 0.00 H new ATOM 0 HA2 GLY A 21 10.225 -22.039 -7.751 1.00 0.00 H new ATOM 0 HA3 GLY A 21 11.233 -21.228 -6.569 1.00 0.00 H new ATOM 320 N ASN A 22 11.546 -23.931 -6.371 1.00 0.00 N ATOM 321 CA ASN A 22 11.802 -25.246 -5.796 1.00 0.00 C ATOM 322 C ASN A 22 10.632 -26.191 -6.038 1.00 0.00 C ATOM 323 O ASN A 22 10.349 -27.066 -5.220 1.00 0.00 O ATOM 324 CB ASN A 22 12.099 -25.132 -4.312 1.00 0.00 C ATOM 325 CG ASN A 22 13.321 -24.303 -4.029 1.00 0.00 C ATOM 326 OD1 ASN A 22 14.267 -24.278 -4.824 1.00 0.00 O ATOM 327 ND2 ASN A 22 13.319 -23.623 -2.911 1.00 0.00 N ATOM 0 H ASN A 22 12.195 -23.661 -7.110 1.00 0.00 H new ATOM 0 HA ASN A 22 12.678 -25.664 -6.293 1.00 0.00 H new ATOM 0 HB2 ASN A 22 11.240 -24.691 -3.806 1.00 0.00 H new ATOM 0 HB3 ASN A 22 12.237 -26.130 -3.895 1.00 0.00 H new ATOM 0 HD21 ASN A 22 14.121 -23.042 -2.666 1.00 0.00 H new ATOM 0 HD22 ASN A 22 12.516 -23.674 -2.285 1.00 0.00 H new ATOM 334 N ILE A 23 9.954 -26.008 -7.166 1.00 0.00 N ATOM 335 CA ILE A 23 8.776 -26.804 -7.489 1.00 0.00 C ATOM 336 C ILE A 23 9.168 -28.167 -8.043 1.00 0.00 C ATOM 337 O ILE A 23 9.959 -28.263 -8.982 1.00 0.00 O ATOM 338 CB ILE A 23 7.882 -26.073 -8.507 1.00 0.00 C ATOM 339 CG1 ILE A 23 7.366 -24.758 -7.917 1.00 0.00 C ATOM 340 CG2 ILE A 23 6.722 -26.961 -8.931 1.00 0.00 C ATOM 341 CD1 ILE A 23 6.693 -23.857 -8.928 1.00 0.00 C ATOM 0 H ILE A 23 10.201 -25.315 -7.872 1.00 0.00 H new ATOM 0 HA ILE A 23 8.218 -26.949 -6.564 1.00 0.00 H new ATOM 0 HB ILE A 23 8.479 -25.843 -9.390 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.660 -24.982 -7.117 1.00 0.00 H new ATOM 0 HG13 ILE A 23 8.200 -24.222 -7.465 1.00 0.00 H new ATOM 0 HG21 ILE A 23 6.100 -26.428 -9.651 1.00 0.00 H new ATOM 0 HG22 ILE A 23 7.109 -27.871 -9.389 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.124 -27.221 -8.057 1.00 0.00 H new ATOM 0 HD11 ILE A 23 6.354 -22.946 -8.435 1.00 0.00 H new ATOM 0 HD12 ILE A 23 7.401 -23.601 -9.716 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.837 -24.373 -9.363 1.00 0.00 H new ATOM 353 N PRO A 24 8.610 -29.221 -7.458 1.00 0.00 N ATOM 354 CA PRO A 24 8.847 -30.578 -7.935 1.00 0.00 C ATOM 355 C PRO A 24 8.189 -30.808 -9.290 1.00 0.00 C ATOM 356 O PRO A 24 7.071 -30.353 -9.533 1.00 0.00 O ATOM 357 CB PRO A 24 8.210 -31.444 -6.844 1.00 0.00 C ATOM 358 CG PRO A 24 7.137 -30.582 -6.272 1.00 0.00 C ATOM 359 CD PRO A 24 7.724 -29.196 -6.285 1.00 0.00 C ATOM 0 HA PRO A 24 9.902 -30.802 -8.092 1.00 0.00 H new ATOM 0 HB2 PRO A 24 7.802 -32.367 -7.256 1.00 0.00 H new ATOM 0 HB3 PRO A 24 8.939 -31.729 -6.085 1.00 0.00 H new ATOM 0 HG2 PRO A 24 6.226 -30.633 -6.868 1.00 0.00 H new ATOM 0 HG3 PRO A 24 6.874 -30.893 -5.261 1.00 0.00 H new ATOM 0 HD2 PRO A 24 6.952 -28.432 -6.379 1.00 0.00 H new ATOM 0 HD3 PRO A 24 8.274 -28.982 -5.369 1.00 0.00 H new ATOM 367 N TYR A 25 8.889 -31.517 -10.170 1.00 0.00 N ATOM 368 CA TYR A 25 8.491 -31.608 -11.569 1.00 0.00 C ATOM 369 C TYR A 25 7.253 -32.480 -11.734 1.00 0.00 C ATOM 370 O TYR A 25 6.497 -32.326 -12.693 1.00 0.00 O ATOM 371 CB TYR A 25 9.642 -32.154 -12.418 1.00 0.00 C ATOM 372 CG TYR A 25 10.846 -31.241 -12.473 1.00 0.00 C ATOM 373 CD1 TYR A 25 10.809 -30.005 -11.844 1.00 0.00 C ATOM 374 CD2 TYR A 25 11.988 -31.639 -13.153 1.00 0.00 C ATOM 375 CE1 TYR A 25 11.909 -29.171 -11.895 1.00 0.00 C ATOM 376 CE2 TYR A 25 13.088 -30.805 -13.204 1.00 0.00 C ATOM 377 CZ TYR A 25 13.051 -29.576 -12.578 1.00 0.00 C ATOM 378 OH TYR A 25 14.146 -28.745 -12.628 1.00 0.00 O ATOM 0 H TYR A 25 9.735 -32.037 -9.938 1.00 0.00 H new ATOM 0 HA TYR A 25 8.245 -30.603 -11.913 1.00 0.00 H new ATOM 0 HB2 TYR A 25 9.949 -33.121 -12.019 1.00 0.00 H new ATOM 0 HB3 TYR A 25 9.283 -32.327 -13.432 1.00 0.00 H new ATOM 0 HD1 TYR A 25 9.920 -29.695 -11.315 1.00 0.00 H new ATOM 0 HD2 TYR A 25 12.017 -32.601 -13.643 1.00 0.00 H new ATOM 0 HE1 TYR A 25 11.882 -28.208 -11.406 1.00 0.00 H new ATOM 0 HE2 TYR A 25 13.977 -31.115 -13.734 1.00 0.00 H new ATOM 0 HH TYR A 25 14.860 -29.176 -13.142 1.00 0.00 H new ATOM 388 N GLU A 26 7.051 -33.397 -10.794 1.00 0.00 N ATOM 389 CA GLU A 26 5.917 -34.311 -10.846 1.00 0.00 C ATOM 390 C GLU A 26 4.623 -33.606 -10.460 1.00 0.00 C ATOM 391 O GLU A 26 3.532 -34.145 -10.647 1.00 0.00 O ATOM 392 CB GLU A 26 6.153 -35.507 -9.921 1.00 0.00 C ATOM 393 CG GLU A 26 6.221 -35.154 -8.442 1.00 0.00 C ATOM 394 CD GLU A 26 7.614 -34.826 -7.982 1.00 0.00 C ATOM 395 OE1 GLU A 26 8.429 -34.492 -8.808 1.00 0.00 O ATOM 396 OE2 GLU A 26 7.864 -34.908 -6.802 1.00 0.00 O ATOM 0 H GLU A 26 7.659 -33.527 -9.986 1.00 0.00 H new ATOM 0 HA GLU A 26 5.822 -34.665 -11.872 1.00 0.00 H new ATOM 0 HB2 GLU A 26 5.353 -36.232 -10.073 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.084 -35.995 -10.209 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.569 -34.302 -8.247 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.838 -35.990 -7.856 1.00 0.00 H new ATOM 403 N ALA A 27 4.751 -32.399 -9.921 1.00 0.00 N ATOM 404 CA ALA A 27 3.591 -31.613 -9.518 1.00 0.00 C ATOM 405 C ALA A 27 3.016 -30.836 -10.696 1.00 0.00 C ATOM 406 O ALA A 27 3.756 -30.351 -11.552 1.00 0.00 O ATOM 407 CB ALA A 27 3.960 -30.663 -8.388 1.00 0.00 C ATOM 0 H ALA A 27 5.648 -31.943 -9.753 1.00 0.00 H new ATOM 0 HA ALA A 27 2.825 -32.303 -9.162 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.083 -30.084 -8.099 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.315 -31.237 -7.532 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.747 -29.987 -8.723 1.00 0.00 H new ATOM 413 N THR A 28 1.693 -30.722 -10.734 1.00 0.00 N ATOM 414 CA THR A 28 1.020 -29.955 -11.775 1.00 0.00 C ATOM 415 C THR A 28 0.539 -28.610 -11.245 1.00 0.00 C ATOM 416 O THR A 28 0.567 -28.362 -10.040 1.00 0.00 O ATOM 417 CB THR A 28 -0.172 -30.738 -12.357 1.00 0.00 C ATOM 418 OG1 THR A 28 -1.196 -30.864 -11.362 1.00 0.00 O ATOM 419 CG2 THR A 28 0.267 -32.123 -12.806 1.00 0.00 C ATOM 0 H THR A 28 1.065 -31.152 -10.055 1.00 0.00 H new ATOM 0 HA THR A 28 1.747 -29.779 -12.568 1.00 0.00 H new ATOM 0 HB THR A 28 -0.558 -30.194 -13.219 1.00 0.00 H new ATOM 0 HG1 THR A 28 -1.954 -31.361 -11.734 1.00 0.00 H new ATOM 0 HG21 THR A 28 -0.588 -32.661 -13.214 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.037 -32.030 -13.572 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.668 -32.672 -11.954 1.00 0.00 H new ATOM 427 N GLU A 29 0.099 -27.745 -12.153 1.00 0.00 N ATOM 428 CA GLU A 29 -0.409 -26.432 -11.776 1.00 0.00 C ATOM 429 C GLU A 29 -1.644 -26.552 -10.892 1.00 0.00 C ATOM 430 O GLU A 29 -1.824 -25.777 -9.952 1.00 0.00 O ATOM 431 CB GLU A 29 -0.741 -25.610 -13.024 1.00 0.00 C ATOM 432 CG GLU A 29 0.475 -25.139 -13.808 1.00 0.00 C ATOM 433 CD GLU A 29 0.110 -24.386 -15.057 1.00 0.00 C ATOM 434 OE1 GLU A 29 -0.941 -24.639 -15.595 1.00 0.00 O ATOM 435 OE2 GLU A 29 0.884 -23.556 -15.474 1.00 0.00 O ATOM 0 H GLU A 29 0.084 -27.930 -13.156 1.00 0.00 H new ATOM 0 HA GLU A 29 0.371 -25.924 -11.209 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -1.372 -26.208 -13.681 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.326 -24.740 -12.726 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.087 -24.501 -13.171 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.085 -26.002 -14.075 1.00 0.00 H new ATOM 442 N GLU A 30 -2.492 -27.527 -11.199 1.00 0.00 N ATOM 443 CA GLU A 30 -3.711 -27.752 -10.431 1.00 0.00 C ATOM 444 C GLU A 30 -3.393 -28.204 -9.012 1.00 0.00 C ATOM 445 O GLU A 30 -4.035 -27.773 -8.054 1.00 0.00 O ATOM 446 CB GLU A 30 -4.593 -28.794 -11.123 1.00 0.00 C ATOM 447 CG GLU A 30 -5.200 -28.329 -12.439 1.00 0.00 C ATOM 448 CD GLU A 30 -6.148 -27.174 -12.271 1.00 0.00 C ATOM 449 OE1 GLU A 30 -6.980 -27.235 -11.398 1.00 0.00 O ATOM 450 OE2 GLU A 30 -6.039 -26.230 -13.017 1.00 0.00 O ATOM 0 H GLU A 30 -2.358 -28.175 -11.975 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.249 -26.806 -10.377 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.000 -29.690 -11.307 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.398 -29.078 -10.446 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.400 -28.039 -13.120 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.728 -29.161 -12.904 1.00 0.00 H new ATOM 457 N GLN A 31 -2.398 -29.075 -8.883 1.00 0.00 N ATOM 458 CA GLN A 31 -1.960 -29.551 -7.576 1.00 0.00 C ATOM 459 C GLN A 31 -1.334 -28.426 -6.762 1.00 0.00 C ATOM 460 O GLN A 31 -1.553 -28.324 -5.555 1.00 0.00 O ATOM 461 CB GLN A 31 -0.962 -30.701 -7.731 1.00 0.00 C ATOM 462 CG GLN A 31 -1.575 -31.993 -8.243 1.00 0.00 C ATOM 463 CD GLN A 31 -0.535 -33.066 -8.501 1.00 0.00 C ATOM 464 OE1 GLN A 31 0.522 -32.799 -9.082 1.00 0.00 O ATOM 465 NE2 GLN A 31 -0.826 -34.288 -8.071 1.00 0.00 N ATOM 0 H GLN A 31 -1.879 -29.466 -9.669 1.00 0.00 H new ATOM 0 HA GLN A 31 -2.839 -29.912 -7.042 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -0.171 -30.391 -8.414 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -0.492 -30.892 -6.766 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -2.299 -32.361 -7.516 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -2.122 -31.792 -9.164 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -1.711 -34.464 -7.596 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -0.164 -35.051 -8.216 1.00 0.00 H new ATOM 474 N LEU A 32 -0.555 -27.582 -7.430 1.00 0.00 N ATOM 475 CA LEU A 32 0.079 -26.444 -6.775 1.00 0.00 C ATOM 476 C LEU A 32 -0.960 -25.465 -6.244 1.00 0.00 C ATOM 477 O LEU A 32 -0.839 -24.963 -5.126 1.00 0.00 O ATOM 478 CB LEU A 32 1.016 -25.724 -7.754 1.00 0.00 C ATOM 479 CG LEU A 32 2.300 -26.477 -8.122 1.00 0.00 C ATOM 480 CD1 LEU A 32 2.986 -25.773 -9.285 1.00 0.00 C ATOM 481 CD2 LEU A 32 3.215 -26.545 -6.908 1.00 0.00 C ATOM 0 H LEU A 32 -0.347 -27.665 -8.425 1.00 0.00 H new ATOM 0 HA LEU A 32 0.657 -26.822 -5.932 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.464 -25.516 -8.670 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.292 -24.762 -7.323 1.00 0.00 H new ATOM 0 HG LEU A 32 2.060 -27.495 -8.429 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.899 -26.308 -9.547 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.317 -25.755 -10.145 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.234 -24.752 -8.997 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.128 -27.080 -7.170 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.467 -25.535 -6.585 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.707 -27.069 -6.098 1.00 0.00 H new ATOM 493 N LYS A 33 -1.980 -25.197 -7.051 1.00 0.00 N ATOM 494 CA LYS A 33 -3.069 -24.316 -6.643 1.00 0.00 C ATOM 495 C LYS A 33 -3.797 -24.869 -5.425 1.00 0.00 C ATOM 496 O LYS A 33 -4.174 -24.121 -4.523 1.00 0.00 O ATOM 497 CB LYS A 33 -4.053 -24.112 -7.797 1.00 0.00 C ATOM 498 CG LYS A 33 -3.538 -23.209 -8.910 1.00 0.00 C ATOM 499 CD LYS A 33 -4.641 -22.869 -9.900 1.00 0.00 C ATOM 500 CE LYS A 33 -5.016 -24.075 -10.749 1.00 0.00 C ATOM 501 NZ LYS A 33 -6.039 -23.737 -11.776 1.00 0.00 N ATOM 0 H LYS A 33 -2.076 -25.577 -7.993 1.00 0.00 H new ATOM 0 HA LYS A 33 -2.636 -23.353 -6.373 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.304 -25.084 -8.221 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.976 -23.690 -7.401 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.136 -22.291 -8.480 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -2.718 -23.702 -9.431 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.519 -22.514 -9.361 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.314 -22.055 -10.546 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.124 -24.464 -11.240 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.397 -24.868 -10.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.192 -24.557 -12.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.933 -23.487 -11.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.708 -22.930 -12.343 1.00 0.00 H new ATOM 515 N ASP A 34 -3.993 -26.183 -5.404 1.00 0.00 N ATOM 516 CA ASP A 34 -4.695 -26.836 -4.306 1.00 0.00 C ATOM 517 C ASP A 34 -3.966 -26.628 -2.985 1.00 0.00 C ATOM 518 O ASP A 34 -4.581 -26.305 -1.969 1.00 0.00 O ATOM 519 CB ASP A 34 -4.847 -28.334 -4.582 1.00 0.00 C ATOM 520 CG ASP A 34 -5.889 -28.637 -5.650 1.00 0.00 C ATOM 521 OD1 ASP A 34 -6.670 -27.766 -5.954 1.00 0.00 O ATOM 522 OD2 ASP A 34 -5.894 -29.736 -6.151 1.00 0.00 O ATOM 0 H ASP A 34 -3.675 -26.817 -6.137 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.684 -26.383 -4.230 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -3.885 -28.740 -4.895 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -5.123 -28.842 -3.658 1.00 0.00 H new ATOM 527 N ILE A 35 -2.650 -26.815 -3.005 1.00 0.00 N ATOM 528 CA ILE A 35 -1.843 -26.711 -1.795 1.00 0.00 C ATOM 529 C ILE A 35 -1.607 -25.256 -1.414 1.00 0.00 C ATOM 530 O ILE A 35 -1.215 -24.955 -0.286 1.00 0.00 O ATOM 531 CB ILE A 35 -0.489 -27.422 -1.976 1.00 0.00 C ATOM 532 CG1 ILE A 35 0.332 -26.736 -3.072 1.00 0.00 C ATOM 533 CG2 ILE A 35 -0.700 -28.892 -2.305 1.00 0.00 C ATOM 534 CD1 ILE A 35 1.753 -27.240 -3.175 1.00 0.00 C ATOM 0 H ILE A 35 -2.120 -27.040 -3.847 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.397 -27.198 -0.992 1.00 0.00 H new ATOM 0 HB ILE A 35 0.065 -27.357 -1.040 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.166 -26.882 -4.031 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.350 -25.663 -2.882 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.267 -29.379 -2.430 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.246 -29.372 -1.493 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.272 -28.980 -3.229 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.271 -26.707 -3.972 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.269 -27.070 -2.230 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.745 -28.307 -3.397 1.00 0.00 H new ATOM 546 N PHE A 36 -1.847 -24.355 -2.361 1.00 0.00 N ATOM 547 CA PHE A 36 -1.707 -22.925 -2.111 1.00 0.00 C ATOM 548 C PHE A 36 -3.042 -22.300 -1.727 1.00 0.00 C ATOM 549 O PHE A 36 -3.092 -21.171 -1.240 1.00 0.00 O ATOM 550 CB PHE A 36 -1.143 -22.219 -3.346 1.00 0.00 C ATOM 551 CG PHE A 36 0.272 -22.604 -3.671 1.00 0.00 C ATOM 552 CD1 PHE A 36 0.744 -22.533 -4.973 1.00 0.00 C ATOM 553 CD2 PHE A 36 1.134 -23.038 -2.675 1.00 0.00 C ATOM 554 CE1 PHE A 36 2.046 -22.886 -5.273 1.00 0.00 C ATOM 555 CE2 PHE A 36 2.436 -23.391 -2.972 1.00 0.00 C ATOM 556 CZ PHE A 36 2.892 -23.315 -4.273 1.00 0.00 C ATOM 0 H PHE A 36 -2.140 -24.590 -3.309 1.00 0.00 H new ATOM 0 HA PHE A 36 -1.015 -22.800 -1.278 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.777 -22.445 -4.203 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.190 -21.141 -3.190 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.087 -22.198 -5.762 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.783 -23.101 -1.655 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.401 -22.826 -6.291 1.00 0.00 H new ATOM 0 HE2 PHE A 36 3.097 -23.726 -2.187 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.910 -23.591 -4.507 1.00 0.00 H new ATOM 566 N SER A 37 -4.122 -23.040 -1.951 1.00 0.00 N ATOM 567 CA SER A 37 -5.460 -22.560 -1.627 1.00 0.00 C ATOM 568 C SER A 37 -5.683 -22.526 -0.120 1.00 0.00 C ATOM 569 O SER A 37 -6.678 -21.981 0.358 1.00 0.00 O ATOM 570 CB SER A 37 -6.504 -23.444 -2.281 1.00 0.00 C ATOM 571 OG SER A 37 -6.589 -24.684 -1.635 1.00 0.00 O ATOM 0 H SER A 37 -4.097 -23.976 -2.356 1.00 0.00 H new ATOM 0 HA SER A 37 -5.555 -21.544 -2.010 1.00 0.00 H new ATOM 0 HB2 SER A 37 -7.474 -22.948 -2.253 1.00 0.00 H new ATOM 0 HB3 SER A 37 -6.253 -23.594 -3.331 1.00 0.00 H new ATOM 0 HG SER A 37 -5.921 -25.295 -2.010 1.00 0.00 H new ATOM 577 N GLU A 38 -4.751 -23.111 0.624 1.00 0.00 N ATOM 578 CA GLU A 38 -4.801 -23.078 2.081 1.00 0.00 C ATOM 579 C GLU A 38 -4.822 -21.646 2.600 1.00 0.00 C ATOM 580 O GLU A 38 -5.432 -21.357 3.629 1.00 0.00 O ATOM 581 CB GLU A 38 -3.606 -23.828 2.674 1.00 0.00 C ATOM 582 CG GLU A 38 -3.661 -25.338 2.497 1.00 0.00 C ATOM 583 CD GLU A 38 -2.484 -26.043 3.111 1.00 0.00 C ATOM 584 OE1 GLU A 38 -2.566 -26.404 4.260 1.00 0.00 O ATOM 585 OE2 GLU A 38 -1.501 -26.220 2.430 1.00 0.00 O ATOM 0 H GLU A 38 -3.951 -23.614 0.242 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.723 -23.570 2.393 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.692 -23.453 2.213 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.542 -23.601 3.738 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.579 -25.718 2.945 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.704 -25.573 1.433 1.00 0.00 H new ATOM 592 N VAL A 39 -4.152 -20.752 1.880 1.00 0.00 N ATOM 593 CA VAL A 39 -4.078 -19.350 2.275 1.00 0.00 C ATOM 594 C VAL A 39 -5.356 -18.606 1.907 1.00 0.00 C ATOM 595 O VAL A 39 -5.927 -17.890 2.729 1.00 0.00 O ATOM 596 CB VAL A 39 -2.876 -18.667 1.598 1.00 0.00 C ATOM 597 CG1 VAL A 39 -2.883 -17.172 1.884 1.00 0.00 C ATOM 598 CG2 VAL A 39 -1.580 -19.302 2.079 1.00 0.00 C ATOM 0 H VAL A 39 -3.652 -20.974 1.019 1.00 0.00 H new ATOM 0 HA VAL A 39 -3.955 -19.317 3.357 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.952 -18.805 0.519 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.027 -16.705 1.398 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -3.803 -16.732 1.499 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.824 -17.007 2.960 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.734 -18.813 1.596 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.497 -19.186 3.160 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.579 -20.362 1.827 1.00 0.00 H new ATOM 608 N GLY A 40 -5.799 -18.779 0.667 1.00 0.00 N ATOM 609 CA GLY A 40 -7.008 -18.123 0.186 1.00 0.00 C ATOM 610 C GLY A 40 -7.298 -18.493 -1.263 1.00 0.00 C ATOM 611 O GLY A 40 -6.588 -19.301 -1.861 1.00 0.00 O ATOM 0 H GLY A 40 -5.337 -19.370 -0.025 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.853 -18.408 0.813 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.897 -17.042 0.273 1.00 0.00 H new ATOM 615 N PRO A 41 -8.345 -17.897 -1.822 1.00 0.00 N ATOM 616 CA PRO A 41 -8.766 -18.207 -3.183 1.00 0.00 C ATOM 617 C PRO A 41 -7.650 -17.930 -4.182 1.00 0.00 C ATOM 618 O PRO A 41 -7.054 -16.853 -4.179 1.00 0.00 O ATOM 619 CB PRO A 41 -9.960 -17.270 -3.397 1.00 0.00 C ATOM 620 CG PRO A 41 -10.499 -17.047 -2.025 1.00 0.00 C ATOM 621 CD PRO A 41 -9.277 -16.977 -1.149 1.00 0.00 C ATOM 0 HA PRO A 41 -9.019 -19.257 -3.327 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -9.653 -16.333 -3.862 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -10.707 -17.720 -4.050 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -11.080 -16.126 -1.971 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -11.160 -17.859 -1.721 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -8.877 -15.965 -1.092 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -9.492 -17.293 -0.128 1.00 0.00 H new ATOM 629 N VAL A 42 -7.371 -18.909 -5.036 1.00 0.00 N ATOM 630 CA VAL A 42 -6.345 -18.762 -6.061 1.00 0.00 C ATOM 631 C VAL A 42 -6.966 -18.597 -7.442 1.00 0.00 C ATOM 632 O VAL A 42 -7.816 -19.389 -7.850 1.00 0.00 O ATOM 633 CB VAL A 42 -5.412 -19.988 -6.064 1.00 0.00 C ATOM 634 CG1 VAL A 42 -4.364 -19.857 -7.160 1.00 0.00 C ATOM 635 CG2 VAL A 42 -4.753 -20.140 -4.702 1.00 0.00 C ATOM 0 H VAL A 42 -7.842 -19.814 -5.038 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.770 -17.866 -5.827 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.002 -20.882 -6.267 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.713 -20.732 -7.148 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.858 -19.786 -8.129 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.769 -18.960 -6.989 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -4.095 -21.009 -4.711 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.171 -19.246 -4.478 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.520 -20.274 -3.940 1.00 0.00 H new ATOM 645 N VAL A 43 -6.538 -17.563 -8.159 1.00 0.00 N ATOM 646 CA VAL A 43 -7.042 -17.300 -9.501 1.00 0.00 C ATOM 647 C VAL A 43 -6.460 -18.281 -10.511 1.00 0.00 C ATOM 648 O VAL A 43 -7.194 -18.925 -11.260 1.00 0.00 O ATOM 649 CB VAL A 43 -6.696 -15.861 -9.929 1.00 0.00 C ATOM 650 CG1 VAL A 43 -7.048 -15.642 -11.393 1.00 0.00 C ATOM 651 CG2 VAL A 43 -7.431 -14.867 -9.044 1.00 0.00 C ATOM 0 H VAL A 43 -5.842 -16.893 -7.832 1.00 0.00 H new ATOM 0 HA VAL A 43 -8.125 -17.425 -9.478 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.624 -15.705 -9.812 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.797 -14.620 -11.679 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.484 -16.341 -12.011 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -8.115 -15.808 -11.539 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -7.182 -13.852 -9.352 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -8.506 -15.021 -9.138 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -7.133 -15.014 -8.006 1.00 0.00 H new ATOM 661 N SER A 44 -5.136 -18.391 -10.525 1.00 0.00 N ATOM 662 CA SER A 44 -4.449 -19.249 -11.483 1.00 0.00 C ATOM 663 C SER A 44 -2.993 -19.462 -11.086 1.00 0.00 C ATOM 664 O SER A 44 -2.529 -18.924 -10.081 1.00 0.00 O ATOM 665 CB SER A 44 -4.520 -18.645 -12.871 1.00 0.00 C ATOM 666 OG SER A 44 -3.709 -17.506 -12.966 1.00 0.00 O ATOM 0 H SER A 44 -4.517 -17.896 -9.883 1.00 0.00 H new ATOM 0 HA SER A 44 -4.949 -20.218 -11.485 1.00 0.00 H new ATOM 0 HB2 SER A 44 -4.205 -19.383 -13.609 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.552 -18.382 -13.104 1.00 0.00 H new ATOM 0 HG SER A 44 -3.770 -17.135 -13.871 1.00 0.00 H new ATOM 672 N PHE A 45 -2.278 -20.250 -11.882 1.00 0.00 N ATOM 673 CA PHE A 45 -0.851 -20.461 -11.670 1.00 0.00 C ATOM 674 C PHE A 45 -0.111 -20.594 -12.994 1.00 0.00 C ATOM 675 O PHE A 45 -0.545 -21.319 -13.889 1.00 0.00 O ATOM 676 CB PHE A 45 -0.616 -21.711 -10.821 1.00 0.00 C ATOM 677 CG PHE A 45 0.803 -21.868 -10.353 1.00 0.00 C ATOM 678 CD1 PHE A 45 1.181 -21.448 -9.086 1.00 0.00 C ATOM 679 CD2 PHE A 45 1.763 -22.435 -11.178 1.00 0.00 C ATOM 680 CE1 PHE A 45 2.486 -21.592 -8.655 1.00 0.00 C ATOM 681 CE2 PHE A 45 3.068 -22.581 -10.749 1.00 0.00 C ATOM 682 CZ PHE A 45 3.429 -22.158 -9.485 1.00 0.00 C ATOM 0 H PHE A 45 -2.664 -20.753 -12.681 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.462 -19.590 -11.143 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.274 -21.678 -9.952 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -0.897 -22.590 -11.400 1.00 0.00 H new ATOM 0 HD1 PHE A 45 0.448 -21.004 -8.429 1.00 0.00 H new ATOM 0 HD2 PHE A 45 1.487 -22.766 -12.168 1.00 0.00 H new ATOM 0 HE1 PHE A 45 2.767 -21.260 -7.666 1.00 0.00 H new ATOM 0 HE2 PHE A 45 3.805 -23.025 -11.401 1.00 0.00 H new ATOM 0 HZ PHE A 45 4.449 -22.271 -9.148 1.00 0.00 H new ATOM 692 N ARG A 46 1.010 -19.889 -13.114 1.00 0.00 N ATOM 693 CA ARG A 46 1.817 -19.934 -14.327 1.00 0.00 C ATOM 694 C ARG A 46 3.113 -20.701 -14.098 1.00 0.00 C ATOM 695 O ARG A 46 4.129 -20.122 -13.712 1.00 0.00 O ATOM 696 CB ARG A 46 2.142 -18.527 -14.806 1.00 0.00 C ATOM 697 CG ARG A 46 0.945 -17.723 -15.288 1.00 0.00 C ATOM 698 CD ARG A 46 1.329 -16.339 -15.667 1.00 0.00 C ATOM 699 NE ARG A 46 2.324 -16.323 -16.727 1.00 0.00 N ATOM 700 CZ ARG A 46 2.052 -16.505 -18.034 1.00 0.00 C ATOM 701 NH1 ARG A 46 0.815 -16.715 -18.425 1.00 0.00 N ATOM 702 NH2 ARG A 46 3.030 -16.472 -18.923 1.00 0.00 N ATOM 0 H ARG A 46 1.380 -19.279 -12.385 1.00 0.00 H new ATOM 0 HA ARG A 46 1.234 -20.450 -15.089 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.622 -17.984 -13.992 1.00 0.00 H new ATOM 0 HB3 ARG A 46 2.867 -18.593 -15.617 1.00 0.00 H new ATOM 0 HG2 ARG A 46 0.492 -18.222 -16.145 1.00 0.00 H new ATOM 0 HG3 ARG A 46 0.190 -17.689 -14.503 1.00 0.00 H new ATOM 0 HD2 ARG A 46 0.444 -15.793 -15.992 1.00 0.00 H new ATOM 0 HD3 ARG A 46 1.721 -15.819 -14.793 1.00 0.00 H new ATOM 0 HE ARG A 46 3.296 -16.163 -16.463 1.00 0.00 H new ATOM 0 HH11 ARG A 46 0.061 -16.740 -17.739 1.00 0.00 H new ATOM 0 HH12 ARG A 46 0.609 -16.853 -19.415 1.00 0.00 H new ATOM 0 HH21 ARG A 46 3.990 -16.309 -18.619 1.00 0.00 H new ATOM 0 HH22 ARG A 46 2.825 -16.610 -19.913 1.00 0.00 H new ATOM 716 N LEU A 47 3.072 -22.007 -14.337 1.00 0.00 N ATOM 717 CA LEU A 47 4.250 -22.852 -14.184 1.00 0.00 C ATOM 718 C LEU A 47 5.166 -22.745 -15.397 1.00 0.00 C ATOM 719 O LEU A 47 4.750 -23.005 -16.526 1.00 0.00 O ATOM 720 CB LEU A 47 3.832 -24.313 -13.978 1.00 0.00 C ATOM 721 CG LEU A 47 4.979 -25.311 -13.776 1.00 0.00 C ATOM 722 CD1 LEU A 47 5.716 -24.984 -12.484 1.00 0.00 C ATOM 723 CD2 LEU A 47 4.421 -26.726 -13.744 1.00 0.00 C ATOM 0 H LEU A 47 2.234 -22.504 -14.638 1.00 0.00 H new ATOM 0 HA LEU A 47 4.798 -22.506 -13.308 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.173 -24.364 -13.111 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.247 -24.630 -14.842 1.00 0.00 H new ATOM 0 HG LEU A 47 5.686 -25.239 -14.603 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.531 -25.693 -12.341 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.120 -23.973 -12.542 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.025 -25.051 -11.644 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.236 -27.435 -13.600 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.711 -26.818 -12.923 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.916 -26.939 -14.686 1.00 0.00 H new ATOM 735 N VAL A 48 6.415 -22.362 -15.157 1.00 0.00 N ATOM 736 CA VAL A 48 7.398 -22.239 -16.227 1.00 0.00 C ATOM 737 C VAL A 48 8.071 -23.575 -16.513 1.00 0.00 C ATOM 738 O VAL A 48 8.550 -24.247 -15.600 1.00 0.00 O ATOM 739 CB VAL A 48 8.469 -21.197 -15.852 1.00 0.00 C ATOM 740 CG1 VAL A 48 9.533 -21.113 -16.936 1.00 0.00 C ATOM 741 CG2 VAL A 48 7.816 -19.841 -15.630 1.00 0.00 C ATOM 0 H VAL A 48 6.771 -22.131 -14.230 1.00 0.00 H new ATOM 0 HA VAL A 48 6.872 -21.915 -17.125 1.00 0.00 H new ATOM 0 HB VAL A 48 8.955 -21.506 -14.926 1.00 0.00 H new ATOM 0 HG11 VAL A 48 10.281 -20.372 -16.655 1.00 0.00 H new ATOM 0 HG12 VAL A 48 10.011 -22.086 -17.053 1.00 0.00 H new ATOM 0 HG13 VAL A 48 9.070 -20.821 -17.879 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.579 -19.109 -15.365 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.312 -19.526 -16.544 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.088 -19.915 -14.822 1.00 0.00 H new ATOM 878 N LYS A 57 10.656 -26.181 -15.086 1.00 0.00 N ATOM 879 CA LYS A 57 11.873 -25.526 -14.622 1.00 0.00 C ATOM 880 C LYS A 57 11.951 -25.521 -13.101 1.00 0.00 C ATOM 881 O LYS A 57 13.032 -25.396 -12.526 1.00 0.00 O ATOM 882 CB LYS A 57 11.948 -24.095 -15.157 1.00 0.00 C ATOM 883 CG LYS A 57 12.080 -23.995 -16.671 1.00 0.00 C ATOM 884 CD LYS A 57 13.390 -24.602 -17.152 1.00 0.00 C ATOM 885 CE LYS A 57 13.586 -24.386 -18.645 1.00 0.00 C ATOM 886 NZ LYS A 57 14.858 -24.984 -19.132 1.00 0.00 N ATOM 0 HA LYS A 57 12.722 -26.092 -15.004 1.00 0.00 H new ATOM 0 HB2 LYS A 57 11.053 -23.557 -14.846 1.00 0.00 H new ATOM 0 HB3 LYS A 57 12.798 -23.592 -14.696 1.00 0.00 H new ATOM 0 HG2 LYS A 57 11.243 -24.507 -17.146 1.00 0.00 H new ATOM 0 HG3 LYS A 57 12.028 -22.949 -16.975 1.00 0.00 H new ATOM 0 HD2 LYS A 57 14.222 -24.156 -16.606 1.00 0.00 H new ATOM 0 HD3 LYS A 57 13.400 -25.670 -16.933 1.00 0.00 H new ATOM 0 HE2 LYS A 57 12.748 -24.824 -19.188 1.00 0.00 H new ATOM 0 HE3 LYS A 57 13.582 -23.318 -18.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 14.953 -24.814 -20.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 15.660 -24.548 -18.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 14.852 -26.008 -18.950 1.00 0.00 H new ATOM 900 N GLY A 58 10.799 -25.657 -12.454 1.00 0.00 N ATOM 901 CA GLY A 58 10.729 -25.629 -10.998 1.00 0.00 C ATOM 902 C GLY A 58 10.325 -24.250 -10.493 1.00 0.00 C ATOM 903 O GLY A 58 10.408 -23.967 -9.298 1.00 0.00 O ATOM 0 H GLY A 58 9.899 -25.788 -12.916 1.00 0.00 H new ATOM 0 HA2 GLY A 58 10.010 -26.371 -10.651 1.00 0.00 H new ATOM 0 HA3 GLY A 58 11.697 -25.903 -10.579 1.00 0.00 H new ATOM 907 N TYR A 59 9.886 -23.394 -11.410 1.00 0.00 N ATOM 908 CA TYR A 59 9.494 -22.033 -11.063 1.00 0.00 C ATOM 909 C TYR A 59 8.162 -21.664 -11.702 1.00 0.00 C ATOM 910 O TYR A 59 7.813 -22.168 -12.770 1.00 0.00 O ATOM 911 CB TYR A 59 10.579 -21.040 -11.486 1.00 0.00 C ATOM 912 CG TYR A 59 11.941 -21.337 -10.901 1.00 0.00 C ATOM 913 CD1 TYR A 59 12.888 -22.015 -11.656 1.00 0.00 C ATOM 914 CD2 TYR A 59 12.245 -20.933 -9.610 1.00 0.00 C ATOM 915 CE1 TYR A 59 14.132 -22.287 -11.122 1.00 0.00 C ATOM 916 CE2 TYR A 59 13.489 -21.205 -9.075 1.00 0.00 C ATOM 917 CZ TYR A 59 14.431 -21.879 -9.826 1.00 0.00 C ATOM 918 OH TYR A 59 15.670 -22.150 -9.294 1.00 0.00 O ATOM 0 H TYR A 59 9.793 -23.619 -12.400 1.00 0.00 H new ATOM 0 HA TYR A 59 9.375 -21.984 -9.981 1.00 0.00 H new ATOM 0 HB2 TYR A 59 10.653 -21.039 -12.573 1.00 0.00 H new ATOM 0 HB3 TYR A 59 10.276 -20.037 -11.187 1.00 0.00 H new ATOM 0 HD1 TYR A 59 12.652 -22.330 -12.662 1.00 0.00 H new ATOM 0 HD2 TYR A 59 11.509 -20.405 -9.022 1.00 0.00 H new ATOM 0 HE1 TYR A 59 14.870 -22.814 -11.708 1.00 0.00 H new ATOM 0 HE2 TYR A 59 13.725 -20.890 -8.069 1.00 0.00 H new ATOM 0 HH TYR A 59 15.718 -21.797 -8.381 1.00 0.00 H new ATOM 928 N GLY A 60 7.419 -20.781 -11.042 1.00 0.00 N ATOM 929 CA GLY A 60 6.152 -20.296 -11.575 1.00 0.00 C ATOM 930 C GLY A 60 5.544 -19.234 -10.668 1.00 0.00 C ATOM 931 O GLY A 60 6.110 -18.893 -9.629 1.00 0.00 O ATOM 0 H GLY A 60 7.673 -20.387 -10.136 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.308 -19.882 -12.571 1.00 0.00 H new ATOM 0 HA3 GLY A 60 5.457 -21.129 -11.682 1.00 0.00 H new ATOM 935 N PHE A 61 4.388 -18.714 -11.067 1.00 0.00 N ATOM 936 CA PHE A 61 3.725 -17.655 -10.315 1.00 0.00 C ATOM 937 C PHE A 61 2.331 -18.083 -9.874 1.00 0.00 C ATOM 938 O PHE A 61 1.604 -18.733 -10.625 1.00 0.00 O ATOM 939 CB PHE A 61 3.630 -16.381 -11.157 1.00 0.00 C ATOM 940 CG PHE A 61 4.962 -15.763 -11.474 1.00 0.00 C ATOM 941 CD1 PHE A 61 5.696 -16.186 -12.572 1.00 0.00 C ATOM 942 CD2 PHE A 61 5.485 -14.758 -10.674 1.00 0.00 C ATOM 943 CE1 PHE A 61 6.922 -15.619 -12.864 1.00 0.00 C ATOM 944 CE2 PHE A 61 6.709 -14.188 -10.964 1.00 0.00 C ATOM 945 CZ PHE A 61 7.428 -14.620 -12.060 1.00 0.00 C ATOM 0 H PHE A 61 3.891 -19.009 -11.907 1.00 0.00 H new ATOM 0 HA PHE A 61 4.323 -17.455 -9.426 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.115 -16.611 -12.090 1.00 0.00 H new ATOM 0 HB3 PHE A 61 3.018 -15.651 -10.627 1.00 0.00 H new ATOM 0 HD1 PHE A 61 5.305 -16.968 -13.206 1.00 0.00 H new ATOM 0 HD2 PHE A 61 4.928 -14.417 -9.814 1.00 0.00 H new ATOM 0 HE1 PHE A 61 7.484 -15.958 -13.722 1.00 0.00 H new ATOM 0 HE2 PHE A 61 7.103 -13.405 -10.334 1.00 0.00 H new ATOM 0 HZ PHE A 61 8.386 -14.176 -12.287 1.00 0.00 H new ATOM 955 N CYS A 62 1.964 -17.715 -8.651 1.00 0.00 N ATOM 956 CA CYS A 62 0.642 -18.025 -8.122 1.00 0.00 C ATOM 957 C CYS A 62 -0.170 -16.757 -7.887 1.00 0.00 C ATOM 958 O CYS A 62 0.189 -15.925 -7.054 1.00 0.00 O ATOM 959 CB CYS A 62 0.756 -18.801 -6.809 1.00 0.00 C ATOM 960 SG CYS A 62 -0.834 -19.300 -6.105 1.00 0.00 S ATOM 0 H CYS A 62 2.565 -17.201 -8.007 1.00 0.00 H new ATOM 0 HA CYS A 62 0.130 -18.638 -8.863 1.00 0.00 H new ATOM 0 HB2 CYS A 62 1.362 -19.691 -6.977 1.00 0.00 H new ATOM 0 HB3 CYS A 62 1.287 -18.187 -6.081 1.00 0.00 H new ATOM 0 HG CYS A 62 -1.118 -18.537 -5.091 1.00 0.00 H new ATOM 966 N GLU A 63 -1.264 -16.616 -8.627 1.00 0.00 N ATOM 967 CA GLU A 63 -2.088 -15.415 -8.555 1.00 0.00 C ATOM 968 C GLU A 63 -3.286 -15.623 -7.637 1.00 0.00 C ATOM 969 O GLU A 63 -4.068 -16.556 -7.823 1.00 0.00 O ATOM 970 CB GLU A 63 -2.567 -15.012 -9.951 1.00 0.00 C ATOM 971 CG GLU A 63 -3.378 -13.724 -9.991 1.00 0.00 C ATOM 972 CD GLU A 63 -3.746 -13.308 -11.387 1.00 0.00 C ATOM 973 OE1 GLU A 63 -3.485 -14.056 -12.298 1.00 0.00 O ATOM 974 OE2 GLU A 63 -4.290 -12.240 -11.543 1.00 0.00 O ATOM 0 H GLU A 63 -1.601 -17.319 -9.284 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.474 -14.615 -8.142 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.699 -14.901 -10.601 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -3.172 -15.821 -10.362 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -4.287 -13.855 -9.405 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.806 -12.926 -9.518 1.00 0.00 H new ATOM 981 N TYR A 64 -3.424 -14.750 -6.646 1.00 0.00 N ATOM 982 CA TYR A 64 -4.558 -14.802 -5.731 1.00 0.00 C ATOM 983 C TYR A 64 -5.611 -13.764 -6.099 1.00 0.00 C ATOM 984 O TYR A 64 -5.329 -12.810 -6.823 1.00 0.00 O ATOM 985 CB TYR A 64 -4.092 -14.596 -4.288 1.00 0.00 C ATOM 986 CG TYR A 64 -3.334 -15.774 -3.718 1.00 0.00 C ATOM 987 CD1 TYR A 64 -1.981 -15.923 -3.984 1.00 0.00 C ATOM 988 CD2 TYR A 64 -3.992 -16.706 -2.928 1.00 0.00 C ATOM 989 CE1 TYR A 64 -1.288 -16.999 -3.463 1.00 0.00 C ATOM 990 CE2 TYR A 64 -3.299 -17.782 -2.407 1.00 0.00 C ATOM 991 CZ TYR A 64 -1.953 -17.930 -2.673 1.00 0.00 C ATOM 992 OH TYR A 64 -1.263 -19.001 -2.154 1.00 0.00 O ATOM 0 H TYR A 64 -2.764 -13.996 -6.455 1.00 0.00 H new ATOM 0 HA TYR A 64 -5.012 -15.789 -5.817 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -3.457 -13.711 -4.244 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -4.961 -14.397 -3.660 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -1.469 -15.198 -4.599 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -5.046 -16.590 -2.720 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -0.234 -17.116 -3.669 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -3.811 -18.507 -1.792 1.00 0.00 H new ATOM 0 HH TYR A 64 -1.898 -19.662 -1.807 1.00 0.00 H new ATOM 1002 N GLN A 65 -6.825 -13.956 -5.596 1.00 0.00 N ATOM 1003 CA GLN A 65 -7.917 -13.025 -5.852 1.00 0.00 C ATOM 1004 C GLN A 65 -7.713 -11.717 -5.098 1.00 0.00 C ATOM 1005 O GLN A 65 -8.218 -10.670 -5.504 1.00 0.00 O ATOM 1006 CB GLN A 65 -9.258 -13.650 -5.460 1.00 0.00 C ATOM 1007 CG GLN A 65 -9.704 -14.786 -6.364 1.00 0.00 C ATOM 1008 CD GLN A 65 -11.081 -15.308 -6.002 1.00 0.00 C ATOM 1009 OE1 GLN A 65 -11.672 -14.898 -5.000 1.00 0.00 O ATOM 1010 NE2 GLN A 65 -11.601 -16.219 -6.818 1.00 0.00 N ATOM 0 H GLN A 65 -7.078 -14.750 -5.007 1.00 0.00 H new ATOM 0 HA GLN A 65 -7.925 -12.808 -6.920 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -9.188 -14.021 -4.437 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -10.023 -12.874 -5.466 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -9.709 -14.443 -7.398 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -8.982 -15.600 -6.302 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -11.077 -16.530 -7.636 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -12.524 -16.608 -6.626 1.00 0.00 H new ATOM 1019 N ASP A 66 -6.970 -11.783 -3.998 1.00 0.00 N ATOM 1020 CA ASP A 66 -6.767 -10.622 -3.140 1.00 0.00 C ATOM 1021 C ASP A 66 -5.284 -10.340 -2.937 1.00 0.00 C ATOM 1022 O ASP A 66 -4.479 -11.262 -2.807 1.00 0.00 O ATOM 1023 CB ASP A 66 -7.443 -10.833 -1.783 1.00 0.00 C ATOM 1024 CG ASP A 66 -7.337 -9.618 -0.872 1.00 0.00 C ATOM 1025 OD1 ASP A 66 -8.141 -8.727 -1.006 1.00 0.00 O ATOM 1026 OD2 ASP A 66 -6.451 -9.592 -0.051 1.00 0.00 O ATOM 0 H ASP A 66 -6.498 -12.629 -3.680 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.218 -9.762 -3.635 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.495 -11.072 -1.940 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -6.991 -11.693 -1.288 1.00 0.00 H new ATOM 1031 N GLN A 67 -4.929 -9.059 -2.909 1.00 0.00 N ATOM 1032 CA GLN A 67 -3.532 -8.654 -2.818 1.00 0.00 C ATOM 1033 C GLN A 67 -2.941 -9.015 -1.461 1.00 0.00 C ATOM 1034 O GLN A 67 -1.815 -9.506 -1.374 1.00 0.00 O ATOM 1035 CB GLN A 67 -3.393 -7.149 -3.064 1.00 0.00 C ATOM 1036 CG GLN A 67 -3.666 -6.726 -4.497 1.00 0.00 C ATOM 1037 CD GLN A 67 -3.611 -5.220 -4.676 1.00 0.00 C ATOM 1038 OE1 GLN A 67 -3.621 -4.464 -3.701 1.00 0.00 O ATOM 1039 NE2 GLN A 67 -3.553 -4.776 -5.926 1.00 0.00 N ATOM 0 H GLN A 67 -5.591 -8.284 -2.948 1.00 0.00 H new ATOM 0 HA GLN A 67 -2.979 -9.193 -3.587 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -4.079 -6.619 -2.403 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -2.384 -6.839 -2.791 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.936 -7.194 -5.157 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -4.648 -7.090 -4.799 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.547 -5.437 -6.702 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -3.514 -3.773 -6.110 1.00 0.00 H new ATOM 1048 N GLU A 68 -3.707 -8.769 -0.403 1.00 0.00 N ATOM 1049 CA GLU A 68 -3.256 -9.058 0.953 1.00 0.00 C ATOM 1050 C GLU A 68 -3.171 -10.559 1.197 1.00 0.00 C ATOM 1051 O GLU A 68 -2.290 -11.033 1.914 1.00 0.00 O ATOM 1052 CB GLU A 68 -4.197 -8.418 1.975 1.00 0.00 C ATOM 1053 CG GLU A 68 -3.794 -8.640 3.426 1.00 0.00 C ATOM 1054 CD GLU A 68 -2.451 -8.051 3.757 1.00 0.00 C ATOM 1055 OE1 GLU A 68 -2.100 -7.054 3.173 1.00 0.00 O ATOM 1056 OE2 GLU A 68 -1.775 -8.600 4.596 1.00 0.00 O ATOM 0 H GLU A 68 -4.644 -8.370 -0.459 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.258 -8.634 1.070 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.246 -7.346 1.784 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.201 -8.815 1.825 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.549 -8.201 4.079 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.777 -9.710 3.633 1.00 0.00 H new ATOM 1063 N THR A 69 -4.093 -11.304 0.596 1.00 0.00 N ATOM 1064 CA THR A 69 -4.044 -12.761 0.632 1.00 0.00 C ATOM 1065 C THR A 69 -2.754 -13.284 0.014 1.00 0.00 C ATOM 1066 O THR A 69 -2.129 -14.204 0.541 1.00 0.00 O ATOM 1067 CB THR A 69 -5.253 -13.375 -0.098 1.00 0.00 C ATOM 1068 OG1 THR A 69 -6.462 -12.999 0.575 1.00 0.00 O ATOM 1069 CG2 THR A 69 -5.144 -14.892 -0.127 1.00 0.00 C ATOM 0 H THR A 69 -4.884 -10.922 0.078 1.00 0.00 H new ATOM 0 HA THR A 69 -4.077 -13.059 1.680 1.00 0.00 H new ATOM 0 HB THR A 69 -5.268 -13.002 -1.122 1.00 0.00 H new ATOM 0 HG1 THR A 69 -7.231 -13.389 0.109 1.00 0.00 H new ATOM 0 HG21 THR A 69 -6.007 -15.309 -0.647 1.00 0.00 H new ATOM 0 HG22 THR A 69 -4.232 -15.181 -0.648 1.00 0.00 H new ATOM 0 HG23 THR A 69 -5.115 -15.274 0.893 1.00 0.00 H new ATOM 1077 N ALA A 70 -2.358 -12.691 -1.108 1.00 0.00 N ATOM 1078 CA ALA A 70 -1.094 -13.031 -1.750 1.00 0.00 C ATOM 1079 C ALA A 70 0.088 -12.701 -0.848 1.00 0.00 C ATOM 1080 O ALA A 70 1.037 -13.477 -0.744 1.00 0.00 O ATOM 1081 CB ALA A 70 -0.964 -12.304 -3.080 1.00 0.00 C ATOM 0 H ALA A 70 -2.896 -11.972 -1.592 1.00 0.00 H new ATOM 0 HA ALA A 70 -1.088 -14.105 -1.933 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.015 -12.568 -3.548 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.785 -12.595 -3.735 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.998 -11.228 -2.911 1.00 0.00 H new ATOM 1087 N LEU A 71 0.025 -11.544 -0.198 1.00 0.00 N ATOM 1088 CA LEU A 71 1.065 -11.133 0.738 1.00 0.00 C ATOM 1089 C LEU A 71 1.135 -12.075 1.933 1.00 0.00 C ATOM 1090 O LEU A 71 2.216 -12.361 2.447 1.00 0.00 O ATOM 1091 CB LEU A 71 0.806 -9.700 1.222 1.00 0.00 C ATOM 1092 CG LEU A 71 0.998 -8.598 0.172 1.00 0.00 C ATOM 1093 CD1 LEU A 71 0.533 -7.266 0.744 1.00 0.00 C ATOM 1094 CD2 LEU A 71 2.461 -8.536 -0.238 1.00 0.00 C ATOM 0 H LEU A 71 -0.736 -10.873 -0.302 1.00 0.00 H new ATOM 0 HA LEU A 71 2.020 -11.171 0.215 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.215 -9.643 1.600 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.469 -9.495 2.063 1.00 0.00 H new ATOM 0 HG LEU A 71 0.402 -8.819 -0.714 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.669 -6.483 -0.001 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.522 -7.333 1.011 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.118 -7.027 1.632 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.597 -7.753 -0.984 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.075 -8.316 0.635 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.762 -9.495 -0.660 1.00 0.00 H new ATOM 1106 N SER A 72 -0.025 -12.554 2.370 1.00 0.00 N ATOM 1107 CA SER A 72 -0.089 -13.562 3.422 1.00 0.00 C ATOM 1108 C SER A 72 0.541 -14.872 2.967 1.00 0.00 C ATOM 1109 O SER A 72 1.241 -15.535 3.734 1.00 0.00 O ATOM 1110 CB SER A 72 -1.530 -13.799 3.831 1.00 0.00 C ATOM 1111 OG SER A 72 -2.076 -12.656 4.429 1.00 0.00 O ATOM 0 H SER A 72 -0.934 -12.260 2.012 1.00 0.00 H new ATOM 0 HA SER A 72 0.473 -13.191 4.279 1.00 0.00 H new ATOM 0 HB2 SER A 72 -2.120 -14.073 2.956 1.00 0.00 H new ATOM 0 HB3 SER A 72 -1.582 -14.637 4.526 1.00 0.00 H new ATOM 0 HG SER A 72 -2.228 -11.970 3.746 1.00 0.00 H new ATOM 1117 N ALA A 73 0.289 -15.242 1.716 1.00 0.00 N ATOM 1118 CA ALA A 73 0.896 -16.432 1.132 1.00 0.00 C ATOM 1119 C ALA A 73 2.415 -16.325 1.118 1.00 0.00 C ATOM 1120 O ALA A 73 3.118 -17.296 1.399 1.00 0.00 O ATOM 1121 CB ALA A 73 0.368 -16.658 -0.277 1.00 0.00 C ATOM 0 H ALA A 73 -0.332 -14.734 1.086 1.00 0.00 H new ATOM 0 HA ALA A 73 0.625 -17.287 1.751 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.830 -17.550 -0.700 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.713 -16.791 -0.243 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.608 -15.795 -0.898 1.00 0.00 H new ATOM 1127 N MET A 74 2.917 -15.140 0.789 1.00 0.00 N ATOM 1128 CA MET A 74 4.347 -14.864 0.869 1.00 0.00 C ATOM 1129 C MET A 74 4.875 -15.099 2.278 1.00 0.00 C ATOM 1130 O MET A 74 5.889 -15.770 2.468 1.00 0.00 O ATOM 1131 CB MET A 74 4.633 -13.431 0.425 1.00 0.00 C ATOM 1132 CG MET A 74 6.091 -13.012 0.551 1.00 0.00 C ATOM 1133 SD MET A 74 6.336 -11.249 0.257 1.00 0.00 S ATOM 1134 CE MET A 74 5.504 -10.550 1.680 1.00 0.00 C ATOM 0 H MET A 74 2.354 -14.354 0.464 1.00 0.00 H new ATOM 0 HA MET A 74 4.863 -15.552 0.199 1.00 0.00 H new ATOM 0 HB2 MET A 74 4.323 -13.317 -0.614 1.00 0.00 H new ATOM 0 HB3 MET A 74 4.020 -12.751 1.017 1.00 0.00 H new ATOM 0 HG2 MET A 74 6.452 -13.264 1.548 1.00 0.00 H new ATOM 0 HG3 MET A 74 6.691 -13.581 -0.159 1.00 0.00 H new ATOM 0 HE1 MET A 74 5.894 -9.551 1.875 1.00 0.00 H new ATOM 0 HE2 MET A 74 4.434 -10.490 1.482 1.00 0.00 H new ATOM 0 HE3 MET A 74 5.677 -11.183 2.550 1.00 0.00 H new ATOM 1144 N ARG A 75 4.181 -14.542 3.265 1.00 0.00 N ATOM 1145 CA ARG A 75 4.616 -14.632 4.654 1.00 0.00 C ATOM 1146 C ARG A 75 4.522 -16.062 5.169 1.00 0.00 C ATOM 1147 O ARG A 75 5.348 -16.499 5.971 1.00 0.00 O ATOM 1148 CB ARG A 75 3.777 -13.721 5.538 1.00 0.00 C ATOM 1149 CG ARG A 75 4.031 -12.234 5.348 1.00 0.00 C ATOM 1150 CD ARG A 75 3.414 -11.429 6.432 1.00 0.00 C ATOM 1151 NE ARG A 75 1.961 -11.481 6.387 1.00 0.00 N ATOM 1152 CZ ARG A 75 1.186 -10.616 5.705 1.00 0.00 C ATOM 1153 NH1 ARG A 75 1.736 -9.640 5.017 1.00 0.00 N ATOM 1154 NH2 ARG A 75 -0.129 -10.748 5.727 1.00 0.00 N ATOM 0 H ARG A 75 3.314 -14.023 3.128 1.00 0.00 H new ATOM 0 HA ARG A 75 5.658 -14.314 4.692 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.723 -13.922 5.346 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.965 -13.977 6.581 1.00 0.00 H new ATOM 0 HG2 ARG A 75 5.105 -12.048 5.323 1.00 0.00 H new ATOM 0 HG3 ARG A 75 3.630 -11.916 4.385 1.00 0.00 H new ATOM 0 HD2 ARG A 75 3.761 -11.795 7.398 1.00 0.00 H new ATOM 0 HD3 ARG A 75 3.743 -10.393 6.347 1.00 0.00 H new ATOM 0 HE ARG A 75 1.497 -12.225 6.908 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.751 -9.537 4.999 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.148 -8.986 4.501 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.557 -11.505 6.260 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.716 -10.093 5.211 1.00 0.00 H new ATOM 1168 N ASN A 76 3.511 -16.788 4.704 1.00 0.00 N ATOM 1169 CA ASN A 76 3.162 -18.078 5.287 1.00 0.00 C ATOM 1170 C ASN A 76 3.857 -19.219 4.555 1.00 0.00 C ATOM 1171 O ASN A 76 4.487 -20.075 5.176 1.00 0.00 O ATOM 1172 CB ASN A 76 1.658 -18.277 5.282 1.00 0.00 C ATOM 1173 CG ASN A 76 0.955 -17.399 6.280 1.00 0.00 C ATOM 1174 OD1 ASN A 76 1.572 -16.898 7.227 1.00 0.00 O ATOM 1175 ND2 ASN A 76 -0.324 -17.202 6.085 1.00 0.00 N ATOM 0 H ASN A 76 2.918 -16.504 3.924 1.00 0.00 H new ATOM 0 HA ASN A 76 3.508 -18.083 6.321 1.00 0.00 H new ATOM 0 HB2 ASN A 76 1.271 -18.069 4.284 1.00 0.00 H new ATOM 0 HB3 ASN A 76 1.433 -19.321 5.500 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -0.853 -16.614 6.729 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -0.791 -17.636 5.289 1.00 0.00 H new ATOM 1182 N LEU A 77 3.738 -19.226 3.232 1.00 0.00 N ATOM 1183 CA LEU A 77 4.065 -20.405 2.439 1.00 0.00 C ATOM 1184 C LEU A 77 5.553 -20.456 2.116 1.00 0.00 C ATOM 1185 O LEU A 77 6.059 -21.471 1.637 1.00 0.00 O ATOM 1186 CB LEU A 77 3.252 -20.411 1.138 1.00 0.00 C ATOM 1187 CG LEU A 77 1.728 -20.397 1.306 1.00 0.00 C ATOM 1188 CD1 LEU A 77 1.065 -20.423 -0.064 1.00 0.00 C ATOM 1189 CD2 LEU A 77 1.298 -21.593 2.144 1.00 0.00 C ATOM 0 H LEU A 77 3.417 -18.427 2.685 1.00 0.00 H new ATOM 0 HA LEU A 77 3.811 -21.286 3.029 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.542 -19.543 0.546 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.528 -21.295 0.563 1.00 0.00 H new ATOM 0 HG LEU A 77 1.419 -19.487 1.821 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.018 -20.413 0.056 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.375 -19.548 -0.635 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.363 -21.327 -0.595 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.215 -21.583 2.263 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.600 -22.514 1.645 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.772 -21.540 3.124 1.00 0.00 H new ATOM 1201 N ASN A 78 6.249 -19.356 2.382 1.00 0.00 N ATOM 1202 CA ASN A 78 7.666 -19.249 2.057 1.00 0.00 C ATOM 1203 C ASN A 78 8.507 -20.147 2.955 1.00 0.00 C ATOM 1204 O ASN A 78 8.690 -19.861 4.138 1.00 0.00 O ATOM 1205 CB ASN A 78 8.129 -17.807 2.158 1.00 0.00 C ATOM 1206 CG ASN A 78 9.539 -17.618 1.669 1.00 0.00 C ATOM 1207 OD1 ASN A 78 10.034 -18.397 0.847 1.00 0.00 O ATOM 1208 ND2 ASN A 78 10.194 -16.597 2.159 1.00 0.00 N ATOM 0 H ASN A 78 5.854 -18.525 2.822 1.00 0.00 H new ATOM 0 HA ASN A 78 7.800 -19.585 1.029 1.00 0.00 H new ATOM 0 HB2 ASN A 78 7.459 -17.172 1.578 1.00 0.00 H new ATOM 0 HB3 ASN A 78 8.061 -17.479 3.195 1.00 0.00 H new ATOM 0 HD21 ASN A 78 11.154 -16.418 1.864 1.00 0.00 H new ATOM 0 HD22 ASN A 78 9.745 -15.980 2.836 1.00 0.00 H new ATOM 1215 N GLY A 79 9.017 -21.234 2.385 1.00 0.00 N ATOM 1216 CA GLY A 79 9.817 -22.191 3.140 1.00 0.00 C ATOM 1217 C GLY A 79 8.936 -23.233 3.816 1.00 0.00 C ATOM 1218 O GLY A 79 9.408 -24.021 4.637 1.00 0.00 O ATOM 0 H GLY A 79 8.890 -21.474 1.402 1.00 0.00 H new ATOM 0 HA2 GLY A 79 10.523 -22.685 2.473 1.00 0.00 H new ATOM 0 HA3 GLY A 79 10.405 -21.665 3.892 1.00 0.00 H new ATOM 1222 N ARG A 80 7.654 -23.234 3.468 1.00 0.00 N ATOM 1223 CA ARG A 80 6.700 -24.166 4.056 1.00 0.00 C ATOM 1224 C ARG A 80 6.761 -25.524 3.367 1.00 0.00 C ATOM 1225 O ARG A 80 6.865 -25.605 2.143 1.00 0.00 O ATOM 1226 CB ARG A 80 5.285 -23.616 3.962 1.00 0.00 C ATOM 1227 CG ARG A 80 4.223 -24.461 4.646 1.00 0.00 C ATOM 1228 CD ARG A 80 2.945 -23.720 4.797 1.00 0.00 C ATOM 1229 NE ARG A 80 1.951 -24.494 5.524 1.00 0.00 N ATOM 1230 CZ ARG A 80 0.957 -25.197 4.946 1.00 0.00 C ATOM 1231 NH1 ARG A 80 0.838 -25.214 3.637 1.00 0.00 N ATOM 1232 NH2 ARG A 80 0.103 -25.871 5.696 1.00 0.00 N ATOM 0 H ARG A 80 7.251 -22.598 2.780 1.00 0.00 H new ATOM 0 HA ARG A 80 6.969 -24.292 5.105 1.00 0.00 H new ATOM 0 HB2 ARG A 80 5.270 -22.617 4.397 1.00 0.00 H new ATOM 0 HB3 ARG A 80 5.021 -23.509 2.910 1.00 0.00 H new ATOM 0 HG2 ARG A 80 4.051 -25.368 4.067 1.00 0.00 H new ATOM 0 HG3 ARG A 80 4.582 -24.772 5.627 1.00 0.00 H new ATOM 0 HD2 ARG A 80 3.129 -22.782 5.321 1.00 0.00 H new ATOM 0 HD3 ARG A 80 2.556 -23.463 3.812 1.00 0.00 H new ATOM 0 HE ARG A 80 2.010 -24.506 6.542 1.00 0.00 H new ATOM 0 HH11 ARG A 80 1.498 -24.695 3.058 1.00 0.00 H new ATOM 0 HH12 ARG A 80 0.085 -25.746 3.200 1.00 0.00 H new ATOM 0 HH21 ARG A 80 0.196 -25.859 6.712 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -0.650 -26.403 5.259 1.00 0.00 H new ATOM 1246 N GLU A 81 6.695 -26.587 4.161 1.00 0.00 N ATOM 1247 CA GLU A 81 6.748 -27.944 3.629 1.00 0.00 C ATOM 1248 C GLU A 81 5.380 -28.396 3.136 1.00 0.00 C ATOM 1249 O GLU A 81 4.387 -28.304 3.858 1.00 0.00 O ATOM 1250 CB GLU A 81 7.263 -28.915 4.694 1.00 0.00 C ATOM 1251 CG GLU A 81 7.402 -30.354 4.219 1.00 0.00 C ATOM 1252 CD GLU A 81 7.920 -31.276 5.288 1.00 0.00 C ATOM 1253 OE1 GLU A 81 8.252 -30.799 6.347 1.00 0.00 O ATOM 1254 OE2 GLU A 81 7.982 -32.458 5.046 1.00 0.00 O ATOM 0 H GLU A 81 6.605 -26.535 5.176 1.00 0.00 H new ATOM 0 HA GLU A 81 7.435 -27.943 2.783 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.234 -28.566 5.047 1.00 0.00 H new ATOM 0 HB3 GLU A 81 6.586 -28.891 5.548 1.00 0.00 H new ATOM 0 HG2 GLU A 81 6.432 -30.713 3.875 1.00 0.00 H new ATOM 0 HG3 GLU A 81 8.075 -30.385 3.362 1.00 0.00 H new ATOM 1261 N PHE A 82 5.333 -28.885 1.901 1.00 0.00 N ATOM 1262 CA PHE A 82 4.091 -29.378 1.318 1.00 0.00 C ATOM 1263 C PHE A 82 4.166 -30.875 1.049 1.00 0.00 C ATOM 1264 O PHE A 82 4.401 -31.301 -0.082 1.00 0.00 O ATOM 1265 CB PHE A 82 3.779 -28.635 0.018 1.00 0.00 C ATOM 1266 CG PHE A 82 3.591 -27.156 0.195 1.00 0.00 C ATOM 1267 CD1 PHE A 82 4.670 -26.289 0.109 1.00 0.00 C ATOM 1268 CD2 PHE A 82 2.334 -26.627 0.450 1.00 0.00 C ATOM 1269 CE1 PHE A 82 4.498 -24.927 0.272 1.00 0.00 C ATOM 1270 CE2 PHE A 82 2.159 -25.267 0.612 1.00 0.00 C ATOM 1271 CZ PHE A 82 3.243 -24.416 0.524 1.00 0.00 C ATOM 0 H PHE A 82 6.142 -28.950 1.284 1.00 0.00 H new ATOM 0 HA PHE A 82 3.292 -29.196 2.036 1.00 0.00 H new ATOM 0 HB2 PHE A 82 4.589 -28.806 -0.691 1.00 0.00 H new ATOM 0 HB3 PHE A 82 2.875 -29.056 -0.422 1.00 0.00 H new ATOM 0 HD1 PHE A 82 5.656 -26.683 -0.088 1.00 0.00 H new ATOM 0 HD2 PHE A 82 1.482 -27.287 0.523 1.00 0.00 H new ATOM 0 HE1 PHE A 82 5.347 -24.263 0.202 1.00 0.00 H new ATOM 0 HE2 PHE A 82 1.174 -24.869 0.808 1.00 0.00 H new ATOM 0 HZ PHE A 82 3.108 -23.352 0.652 1.00 0.00 H new ATOM 1281 N SER A 83 3.964 -31.671 2.094 1.00 0.00 N ATOM 1282 CA SER A 83 3.995 -33.123 1.969 1.00 0.00 C ATOM 1283 C SER A 83 5.368 -33.608 1.522 1.00 0.00 C ATOM 1284 O SER A 83 5.479 -34.485 0.666 1.00 0.00 O ATOM 1285 CB SER A 83 2.940 -33.585 0.982 1.00 0.00 C ATOM 1286 OG SER A 83 1.659 -33.206 1.403 1.00 0.00 O ATOM 0 H SER A 83 3.777 -31.334 3.038 1.00 0.00 H new ATOM 0 HA SER A 83 3.784 -33.549 2.950 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.145 -33.159 -0.000 1.00 0.00 H new ATOM 0 HB3 SER A 83 2.986 -34.669 0.876 1.00 0.00 H new ATOM 0 HG SER A 83 0.996 -33.513 0.750 1.00 0.00 H new ATOM 1292 N GLY A 84 6.413 -33.032 2.108 1.00 0.00 N ATOM 1293 CA GLY A 84 7.781 -33.435 1.803 1.00 0.00 C ATOM 1294 C GLY A 84 8.366 -32.589 0.680 1.00 0.00 C ATOM 1295 O GLY A 84 9.395 -32.937 0.100 1.00 0.00 O ATOM 0 H GLY A 84 6.338 -32.284 2.797 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.399 -33.338 2.695 1.00 0.00 H new ATOM 0 HA3 GLY A 84 7.798 -34.487 1.517 1.00 0.00 H new ATOM 1299 N ARG A 85 7.705 -31.477 0.377 1.00 0.00 N ATOM 1300 CA ARG A 85 8.160 -30.579 -0.678 1.00 0.00 C ATOM 1301 C ARG A 85 8.165 -29.131 -0.204 1.00 0.00 C ATOM 1302 O ARG A 85 7.166 -28.423 -0.329 1.00 0.00 O ATOM 1303 CB ARG A 85 7.272 -30.703 -1.907 1.00 0.00 C ATOM 1304 CG ARG A 85 7.301 -32.066 -2.581 1.00 0.00 C ATOM 1305 CD ARG A 85 8.608 -32.327 -3.236 1.00 0.00 C ATOM 1306 NE ARG A 85 8.607 -33.585 -3.966 1.00 0.00 N ATOM 1307 CZ ARG A 85 8.934 -34.779 -3.433 1.00 0.00 C ATOM 1308 NH1 ARG A 85 9.285 -34.860 -2.169 1.00 0.00 N ATOM 1309 NH2 ARG A 85 8.902 -35.867 -4.182 1.00 0.00 N ATOM 0 H ARG A 85 6.852 -31.176 0.848 1.00 0.00 H new ATOM 0 HA ARG A 85 9.179 -30.868 -0.937 1.00 0.00 H new ATOM 0 HB2 ARG A 85 6.245 -30.477 -1.620 1.00 0.00 H new ATOM 0 HB3 ARG A 85 7.573 -29.948 -2.633 1.00 0.00 H new ATOM 0 HG2 ARG A 85 7.103 -32.842 -1.842 1.00 0.00 H new ATOM 0 HG3 ARG A 85 6.504 -32.122 -3.323 1.00 0.00 H new ATOM 0 HD2 ARG A 85 8.841 -31.511 -3.920 1.00 0.00 H new ATOM 0 HD3 ARG A 85 9.395 -32.345 -2.482 1.00 0.00 H new ATOM 0 HE ARG A 85 8.340 -33.562 -4.950 1.00 0.00 H new ATOM 0 HH11 ARG A 85 9.310 -34.019 -1.592 1.00 0.00 H new ATOM 0 HH12 ARG A 85 9.533 -35.763 -1.765 1.00 0.00 H new ATOM 0 HH21 ARG A 85 8.630 -35.803 -5.163 1.00 0.00 H new ATOM 0 HH22 ARG A 85 9.149 -36.771 -3.779 1.00 0.00 H new ATOM 1323 N ALA A 86 9.297 -28.697 0.341 1.00 0.00 N ATOM 1324 CA ALA A 86 9.458 -27.313 0.772 1.00 0.00 C ATOM 1325 C ALA A 86 9.610 -26.379 -0.421 1.00 0.00 C ATOM 1326 O ALA A 86 10.490 -26.568 -1.262 1.00 0.00 O ATOM 1327 CB ALA A 86 10.655 -27.183 1.702 1.00 0.00 C ATOM 0 H ALA A 86 10.117 -29.284 0.495 1.00 0.00 H new ATOM 0 HA ALA A 86 8.558 -27.023 1.314 1.00 0.00 H new ATOM 0 HB1 ALA A 86 10.762 -26.144 2.015 1.00 0.00 H new ATOM 0 HB2 ALA A 86 10.504 -27.812 2.579 1.00 0.00 H new ATOM 0 HB3 ALA A 86 11.558 -27.499 1.179 1.00 0.00 H new ATOM 1333 N LEU A 87 8.748 -25.370 -0.491 1.00 0.00 N ATOM 1334 CA LEU A 87 8.729 -24.455 -1.626 1.00 0.00 C ATOM 1335 C LEU A 87 9.102 -23.041 -1.199 1.00 0.00 C ATOM 1336 O LEU A 87 8.830 -22.630 -0.071 1.00 0.00 O ATOM 1337 CB LEU A 87 7.342 -24.449 -2.279 1.00 0.00 C ATOM 1338 CG LEU A 87 6.828 -25.812 -2.760 1.00 0.00 C ATOM 1339 CD1 LEU A 87 5.425 -25.654 -3.331 1.00 0.00 C ATOM 1340 CD2 LEU A 87 7.782 -26.376 -3.803 1.00 0.00 C ATOM 0 H LEU A 87 8.052 -25.165 0.226 1.00 0.00 H new ATOM 0 HA LEU A 87 9.467 -24.803 -2.348 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.626 -24.043 -1.565 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.364 -23.769 -3.130 1.00 0.00 H new ATOM 0 HG LEU A 87 6.782 -26.509 -1.923 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.060 -26.623 -3.673 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.760 -25.267 -2.559 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.450 -24.959 -4.170 1.00 0.00 H new ATOM 0 HD21 LEU A 87 7.417 -27.344 -4.145 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.842 -25.692 -4.649 1.00 0.00 H new ATOM 0 HD23 LEU A 87 8.772 -26.496 -3.363 1.00 0.00 H new ATOM 1352 N ARG A 88 9.727 -22.300 -2.108 1.00 0.00 N ATOM 1353 CA ARG A 88 10.049 -20.899 -1.865 1.00 0.00 C ATOM 1354 C ARG A 88 8.987 -19.979 -2.453 1.00 0.00 C ATOM 1355 O ARG A 88 8.652 -20.077 -3.633 1.00 0.00 O ATOM 1356 CB ARG A 88 11.405 -20.550 -2.461 1.00 0.00 C ATOM 1357 CG ARG A 88 11.774 -19.077 -2.392 1.00 0.00 C ATOM 1358 CD ARG A 88 13.047 -18.795 -3.103 1.00 0.00 C ATOM 1359 NE ARG A 88 13.238 -17.372 -3.331 1.00 0.00 N ATOM 1360 CZ ARG A 88 14.122 -16.849 -4.203 1.00 0.00 C ATOM 1361 NH1 ARG A 88 14.887 -17.642 -4.920 1.00 0.00 N ATOM 1362 NH2 ARG A 88 14.221 -15.538 -4.337 1.00 0.00 N ATOM 0 H ARG A 88 10.021 -22.647 -3.021 1.00 0.00 H new ATOM 0 HA ARG A 88 10.080 -20.753 -0.785 1.00 0.00 H new ATOM 0 HB2 ARG A 88 12.172 -21.126 -1.944 1.00 0.00 H new ATOM 0 HB3 ARG A 88 11.419 -20.865 -3.504 1.00 0.00 H new ATOM 0 HG2 ARG A 88 10.973 -18.481 -2.829 1.00 0.00 H new ATOM 0 HG3 ARG A 88 11.865 -18.773 -1.349 1.00 0.00 H new ATOM 0 HD2 ARG A 88 13.882 -19.184 -2.520 1.00 0.00 H new ATOM 0 HD3 ARG A 88 13.053 -19.320 -4.058 1.00 0.00 H new ATOM 0 HE ARG A 88 12.662 -16.724 -2.793 1.00 0.00 H new ATOM 0 HH11 ARG A 88 14.812 -18.654 -4.816 1.00 0.00 H new ATOM 0 HH12 ARG A 88 15.556 -17.245 -5.580 1.00 0.00 H new ATOM 0 HH21 ARG A 88 13.628 -14.922 -3.780 1.00 0.00 H new ATOM 0 HH22 ARG A 88 14.890 -15.142 -4.997 1.00 0.00 H new ATOM 1376 N VAL A 89 8.461 -19.084 -1.623 1.00 0.00 N ATOM 1377 CA VAL A 89 7.378 -18.200 -2.036 1.00 0.00 C ATOM 1378 C VAL A 89 7.707 -16.745 -1.727 1.00 0.00 C ATOM 1379 O VAL A 89 7.725 -16.336 -0.566 1.00 0.00 O ATOM 1380 CB VAL A 89 6.069 -18.590 -1.324 1.00 0.00 C ATOM 1381 CG1 VAL A 89 4.935 -17.671 -1.753 1.00 0.00 C ATOM 1382 CG2 VAL A 89 5.730 -20.042 -1.623 1.00 0.00 C ATOM 0 H VAL A 89 8.768 -18.952 -0.659 1.00 0.00 H new ATOM 0 HA VAL A 89 7.254 -18.308 -3.113 1.00 0.00 H new ATOM 0 HB VAL A 89 6.204 -18.478 -0.248 1.00 0.00 H new ATOM 0 HG11 VAL A 89 4.018 -17.961 -1.240 1.00 0.00 H new ATOM 0 HG12 VAL A 89 5.184 -16.641 -1.496 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.789 -17.751 -2.830 1.00 0.00 H new ATOM 0 HG21 VAL A 89 4.803 -20.311 -1.116 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.607 -20.173 -2.698 1.00 0.00 H new ATOM 0 HG23 VAL A 89 6.537 -20.684 -1.269 1.00 0.00 H new ATOM 1392 N ASP A 90 7.966 -15.968 -2.773 1.00 0.00 N ATOM 1393 CA ASP A 90 8.271 -14.550 -2.617 1.00 0.00 C ATOM 1394 C ASP A 90 7.249 -13.684 -3.341 1.00 0.00 C ATOM 1395 O ASP A 90 6.362 -14.195 -4.025 1.00 0.00 O ATOM 1396 CB ASP A 90 9.675 -14.242 -3.144 1.00 0.00 C ATOM 1397 CG ASP A 90 10.776 -14.859 -2.292 1.00 0.00 C ATOM 1398 OD1 ASP A 90 10.533 -15.115 -1.136 1.00 0.00 O ATOM 1399 OD2 ASP A 90 11.850 -15.068 -2.805 1.00 0.00 O ATOM 0 H ASP A 90 7.971 -16.296 -3.739 1.00 0.00 H new ATOM 0 HA ASP A 90 8.229 -14.318 -1.553 1.00 0.00 H new ATOM 0 HB2 ASP A 90 9.763 -14.611 -4.166 1.00 0.00 H new ATOM 0 HB3 ASP A 90 9.814 -13.162 -3.182 1.00 0.00 H new ATOM 1404 N ASN A 91 7.379 -12.371 -3.188 1.00 0.00 N ATOM 1405 CA ASN A 91 6.495 -11.429 -3.864 1.00 0.00 C ATOM 1406 C ASN A 91 6.829 -11.327 -5.347 1.00 0.00 C ATOM 1407 O ASN A 91 7.954 -10.992 -5.718 1.00 0.00 O ATOM 1408 CB ASN A 91 6.565 -10.064 -3.206 1.00 0.00 C ATOM 1409 CG ASN A 91 5.524 -9.114 -3.732 1.00 0.00 C ATOM 1410 OD1 ASN A 91 5.006 -9.294 -4.840 1.00 0.00 O ATOM 1411 ND2 ASN A 91 5.209 -8.107 -2.958 1.00 0.00 N ATOM 0 H ASN A 91 8.089 -11.934 -2.601 1.00 0.00 H new ATOM 0 HA ASN A 91 5.475 -11.804 -3.775 1.00 0.00 H new ATOM 0 HB2 ASN A 91 6.438 -10.177 -2.129 1.00 0.00 H new ATOM 0 HB3 ASN A 91 7.555 -9.638 -3.367 1.00 0.00 H new ATOM 0 HD21 ASN A 91 4.509 -7.430 -3.262 1.00 0.00 H new ATOM 0 HD22 ASN A 91 5.663 -7.999 -2.051 1.00 0.00 H new ATOM 1418 N ALA A 92 5.845 -11.618 -6.191 1.00 0.00 N ATOM 1419 CA ALA A 92 6.049 -11.616 -7.635 1.00 0.00 C ATOM 1420 C ALA A 92 6.451 -10.234 -8.133 1.00 0.00 C ATOM 1421 O ALA A 92 7.156 -10.105 -9.133 1.00 0.00 O ATOM 1422 CB ALA A 92 4.792 -12.091 -8.348 1.00 0.00 C ATOM 0 H ALA A 92 4.898 -11.858 -5.900 1.00 0.00 H new ATOM 0 HA ALA A 92 6.863 -12.305 -7.861 1.00 0.00 H new ATOM 0 HB1 ALA A 92 4.960 -12.084 -9.425 1.00 0.00 H new ATOM 0 HB2 ALA A 92 4.551 -13.104 -8.025 1.00 0.00 H new ATOM 0 HB3 ALA A 92 3.963 -11.426 -8.106 1.00 0.00 H new ATOM 1428 N ALA A 93 5.997 -9.202 -7.429 1.00 0.00 N ATOM 1429 CA ALA A 93 6.228 -7.826 -7.851 1.00 0.00 C ATOM 1430 C ALA A 93 7.518 -7.277 -7.258 1.00 0.00 C ATOM 1431 O ALA A 93 7.837 -6.099 -7.423 1.00 0.00 O ATOM 1432 CB ALA A 93 5.049 -6.947 -7.459 1.00 0.00 C ATOM 0 H ALA A 93 5.466 -9.293 -6.563 1.00 0.00 H new ATOM 0 HA ALA A 93 6.327 -7.819 -8.936 1.00 0.00 H new ATOM 0 HB1 ALA A 93 5.236 -5.923 -7.781 1.00 0.00 H new ATOM 0 HB2 ALA A 93 4.143 -7.318 -7.938 1.00 0.00 H new ATOM 0 HB3 ALA A 93 4.922 -6.970 -6.377 1.00 0.00 H new