USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 606 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 76 GLN :FLIP amide:sc= 0 F(o=-2.5,f=-1.8) USER MOD Set 1.2: A 77 GLN :FLIP amide:sc= -1.84 F(o=-3.4,f=-1.8) USER MOD Set 2.1: A 6 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.3: A 88 THR OG1 : rot -160:sc= -0.884 USER MOD Single : A 4 GLN : amide:sc= -0.385 K(o=-0.39,f=-3.8!) USER MOD Single : A 5 HIS : no HE2:sc= -3.27 K(o=-3.3,f=-6.4!) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= 0.00787 K(o=0.0079,f=-0.91) USER MOD Single : A 22 SER OG : rot -176:sc= -0.163 USER MOD Single : A 36 SER OG : rot 52:sc= 0.875 USER MOD Single : A 40 SER OG : rot 180:sc= -0.0379 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN :FLIP amide:sc= -0.723 F(o=-2.3!,f=-0.72) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 ASN : amide:sc= -0.693 K(o=-0.69,f=-3.5!) USER MOD Single : A 62 ASN : amide:sc= -0.219 X(o=-0.22,f=-0.15) USER MOD Single : A 65 SER OG : rot 180:sc= 0.0815 USER MOD Single : A 66 MET CE :methyl -112:sc= -5.42! (180deg=-11.4!) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 HIS : no HD1:sc= -0.448 X(o=-0.45,f=-0.016) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot -96:sc= 0.278 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= -0.243 K(o=-0.24,f=-1.7!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 134 N GLU A 3 3.013 5.609 -11.551 1.00 0.00 N ATOM 135 CA GLU A 3 2.736 4.556 -12.519 1.00 0.00 C ATOM 136 C GLU A 3 2.277 3.289 -11.808 1.00 0.00 C ATOM 137 O GLU A 3 2.663 3.037 -10.671 1.00 0.00 O ATOM 138 CB GLU A 3 3.980 4.264 -13.361 1.00 0.00 C ATOM 139 CG GLU A 3 3.689 3.446 -14.609 1.00 0.00 C ATOM 140 CD GLU A 3 4.850 3.438 -15.585 1.00 0.00 C ATOM 141 OE1 GLU A 3 5.998 3.233 -15.139 1.00 0.00 O ATOM 142 OE2 GLU A 3 4.610 3.639 -16.794 1.00 0.00 O ATOM 0 HA GLU A 3 1.938 4.897 -13.179 1.00 0.00 H new ATOM 0 HB2 GLU A 3 4.441 5.208 -13.654 1.00 0.00 H new ATOM 0 HB3 GLU A 3 4.707 3.731 -12.748 1.00 0.00 H new ATOM 0 HG2 GLU A 3 3.454 2.421 -14.321 1.00 0.00 H new ATOM 0 HG3 GLU A 3 2.805 3.848 -15.105 1.00 0.00 H new ATOM 149 N GLN A 4 1.446 2.501 -12.479 1.00 0.00 N ATOM 150 CA GLN A 4 0.924 1.268 -11.899 1.00 0.00 C ATOM 151 C GLN A 4 1.574 0.038 -12.523 1.00 0.00 C ATOM 152 O GLN A 4 1.620 -0.106 -13.744 1.00 0.00 O ATOM 153 CB GLN A 4 -0.593 1.200 -12.091 1.00 0.00 C ATOM 154 CG GLN A 4 -1.273 0.154 -11.225 1.00 0.00 C ATOM 155 CD GLN A 4 -2.660 -0.203 -11.726 1.00 0.00 C ATOM 156 OE1 GLN A 4 -3.657 0.022 -11.041 1.00 0.00 O ATOM 157 NE2 GLN A 4 -2.728 -0.764 -12.928 1.00 0.00 N ATOM 0 H GLN A 4 1.118 2.693 -13.426 1.00 0.00 H new ATOM 0 HA GLN A 4 1.160 1.275 -10.835 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -1.022 2.177 -11.869 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -0.808 0.987 -13.138 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -0.658 -0.745 -11.197 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -1.344 0.524 -10.202 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -1.875 -0.932 -13.461 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -3.633 -1.027 -13.318 1.00 0.00 H new ATOM 166 N HIS A 5 2.072 -0.849 -11.665 1.00 0.00 N ATOM 167 CA HIS A 5 2.719 -2.076 -12.112 1.00 0.00 C ATOM 168 C HIS A 5 2.186 -3.278 -11.337 1.00 0.00 C ATOM 169 O HIS A 5 1.984 -3.207 -10.124 1.00 0.00 O ATOM 170 CB HIS A 5 4.236 -1.974 -11.937 1.00 0.00 C ATOM 171 CG HIS A 5 4.847 -0.818 -12.665 1.00 0.00 C ATOM 172 ND1 HIS A 5 5.873 -0.958 -13.577 1.00 0.00 N ATOM 173 CD2 HIS A 5 4.572 0.508 -12.613 1.00 0.00 C ATOM 174 CE1 HIS A 5 6.203 0.230 -14.051 1.00 0.00 C ATOM 175 NE2 HIS A 5 5.428 1.136 -13.483 1.00 0.00 N ATOM 0 H HIS A 5 2.039 -0.738 -10.652 1.00 0.00 H new ATOM 0 HA HIS A 5 2.494 -2.214 -13.169 1.00 0.00 H new ATOM 0 HB2 HIS A 5 4.466 -1.886 -10.875 1.00 0.00 H new ATOM 0 HB3 HIS A 5 4.697 -2.898 -12.287 1.00 0.00 H new ATOM 0 HD1 HIS A 5 6.309 -1.841 -13.844 1.00 0.00 H new ATOM 0 HD2 HIS A 5 3.819 0.982 -12.001 1.00 0.00 H new ATOM 0 HE1 HIS A 5 6.976 0.427 -14.780 1.00 0.00 H new ATOM 184 N THR A 6 1.960 -4.380 -12.047 1.00 0.00 N ATOM 185 CA THR A 6 1.449 -5.597 -11.425 1.00 0.00 C ATOM 186 C THR A 6 2.511 -6.692 -11.414 1.00 0.00 C ATOM 187 O THR A 6 3.049 -7.059 -12.459 1.00 0.00 O ATOM 188 CB THR A 6 0.203 -6.089 -12.165 1.00 0.00 C ATOM 189 OG1 THR A 6 -0.219 -7.343 -11.658 1.00 0.00 O ATOM 190 CG2 THR A 6 0.413 -6.244 -13.656 1.00 0.00 C ATOM 0 H THR A 6 2.122 -4.455 -13.051 1.00 0.00 H new ATOM 0 HA THR A 6 1.184 -5.363 -10.394 1.00 0.00 H new ATOM 0 HB THR A 6 -0.552 -5.321 -11.999 1.00 0.00 H new ATOM 0 HG1 THR A 6 -1.017 -7.640 -12.143 1.00 0.00 H new ATOM 0 HG21 THR A 6 -0.509 -6.596 -14.119 1.00 0.00 H new ATOM 0 HG22 THR A 6 0.691 -5.282 -14.086 1.00 0.00 H new ATOM 0 HG23 THR A 6 1.209 -6.966 -13.838 1.00 0.00 H new ATOM 198 N VAL A 7 2.808 -7.210 -10.226 1.00 0.00 N ATOM 199 CA VAL A 7 3.805 -8.265 -10.078 1.00 0.00 C ATOM 200 C VAL A 7 3.202 -9.498 -9.413 1.00 0.00 C ATOM 201 O VAL A 7 2.267 -9.391 -8.620 1.00 0.00 O ATOM 202 CB VAL A 7 5.010 -7.785 -9.248 1.00 0.00 C ATOM 203 CG1 VAL A 7 6.121 -8.823 -9.266 1.00 0.00 C ATOM 204 CG2 VAL A 7 5.514 -6.444 -9.764 1.00 0.00 C ATOM 0 H VAL A 7 2.372 -6.916 -9.352 1.00 0.00 H new ATOM 0 HA VAL A 7 4.145 -8.525 -11.081 1.00 0.00 H new ATOM 0 HB VAL A 7 4.686 -7.653 -8.216 1.00 0.00 H new ATOM 0 HG11 VAL A 7 6.963 -8.465 -8.674 1.00 0.00 H new ATOM 0 HG12 VAL A 7 5.752 -9.758 -8.844 1.00 0.00 H new ATOM 0 HG13 VAL A 7 6.445 -8.991 -10.293 1.00 0.00 H new ATOM 0 HG21 VAL A 7 6.366 -6.121 -9.165 1.00 0.00 H new ATOM 0 HG22 VAL A 7 5.820 -6.547 -10.805 1.00 0.00 H new ATOM 0 HG23 VAL A 7 4.717 -5.704 -9.691 1.00 0.00 H new ATOM 214 N THR A 8 3.740 -10.668 -9.742 1.00 0.00 N ATOM 215 CA THR A 8 3.253 -11.923 -9.176 1.00 0.00 C ATOM 216 C THR A 8 4.178 -12.421 -8.070 1.00 0.00 C ATOM 217 O THR A 8 5.318 -12.806 -8.329 1.00 0.00 O ATOM 218 CB THR A 8 3.130 -12.985 -10.269 1.00 0.00 C ATOM 219 OG1 THR A 8 2.887 -12.383 -11.528 1.00 0.00 O ATOM 220 CG2 THR A 8 2.018 -13.980 -10.015 1.00 0.00 C ATOM 0 H THR A 8 4.514 -10.774 -10.398 1.00 0.00 H new ATOM 0 HA THR A 8 2.269 -11.738 -8.744 1.00 0.00 H new ATOM 0 HB THR A 8 4.081 -13.517 -10.262 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.813 -13.079 -12.214 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.986 -14.705 -10.828 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.201 -14.498 -9.074 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.065 -13.454 -9.960 1.00 0.00 H new ATOM 228 N LEU A 9 3.680 -12.414 -6.836 1.00 0.00 N ATOM 229 CA LEU A 9 4.465 -12.869 -5.694 1.00 0.00 C ATOM 230 C LEU A 9 3.980 -14.230 -5.208 1.00 0.00 C ATOM 231 O LEU A 9 2.845 -14.368 -4.752 1.00 0.00 O ATOM 232 CB LEU A 9 4.390 -11.851 -4.553 1.00 0.00 C ATOM 233 CG LEU A 9 4.407 -10.384 -4.987 1.00 0.00 C ATOM 234 CD1 LEU A 9 2.988 -9.855 -5.131 1.00 0.00 C ATOM 235 CD2 LEU A 9 5.193 -9.543 -3.992 1.00 0.00 C ATOM 0 H LEU A 9 2.738 -12.099 -6.603 1.00 0.00 H new ATOM 0 HA LEU A 9 5.502 -12.965 -6.016 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.479 -12.034 -3.983 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.228 -12.023 -3.878 1.00 0.00 H new ATOM 0 HG LEU A 9 4.899 -10.317 -5.957 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.019 -8.810 -5.440 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.456 -10.440 -5.881 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.471 -9.935 -4.175 1.00 0.00 H new ATOM 0 HD21 LEU A 9 5.195 -8.502 -4.316 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.729 -9.616 -3.008 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.219 -9.908 -3.938 1.00 0.00 H new ATOM 247 N HIS A 10 4.847 -15.231 -5.303 1.00 0.00 N ATOM 248 CA HIS A 10 4.505 -16.581 -4.869 1.00 0.00 C ATOM 249 C HIS A 10 4.544 -16.686 -3.347 1.00 0.00 C ATOM 250 O HIS A 10 5.507 -16.260 -2.711 1.00 0.00 O ATOM 251 CB HIS A 10 5.467 -17.597 -5.491 1.00 0.00 C ATOM 252 CG HIS A 10 6.876 -17.473 -4.997 1.00 0.00 C ATOM 253 ND1 HIS A 10 7.742 -16.491 -5.430 1.00 0.00 N ATOM 254 CD2 HIS A 10 7.568 -18.214 -4.098 1.00 0.00 C ATOM 255 CE1 HIS A 10 8.906 -16.633 -4.820 1.00 0.00 C ATOM 256 NE2 HIS A 10 8.825 -17.671 -4.008 1.00 0.00 N ATOM 0 H HIS A 10 5.791 -15.134 -5.676 1.00 0.00 H new ATOM 0 HA HIS A 10 3.491 -16.801 -5.204 1.00 0.00 H new ATOM 0 HB2 HIS A 10 5.105 -18.603 -5.280 1.00 0.00 H new ATOM 0 HB3 HIS A 10 5.459 -17.476 -6.574 1.00 0.00 H new ATOM 0 HD2 HIS A 10 7.199 -19.071 -3.554 1.00 0.00 H new ATOM 0 HE1 HIS A 10 9.775 -16.007 -4.962 1.00 0.00 H new ATOM 0 HE2 HIS A 10 9.576 -18.014 -3.410 1.00 0.00 H new ATOM 265 N ARG A 11 3.491 -17.254 -2.769 1.00 0.00 N ATOM 266 CA ARG A 11 3.407 -17.411 -1.320 1.00 0.00 C ATOM 267 C ARG A 11 4.585 -18.221 -0.791 1.00 0.00 C ATOM 268 O ARG A 11 4.782 -19.374 -1.174 1.00 0.00 O ATOM 269 CB ARG A 11 2.092 -18.090 -0.932 1.00 0.00 C ATOM 270 CG ARG A 11 0.870 -17.204 -1.122 1.00 0.00 C ATOM 271 CD ARG A 11 -0.012 -17.194 0.117 1.00 0.00 C ATOM 272 NE ARG A 11 -0.241 -18.540 0.636 1.00 0.00 N ATOM 273 CZ ARG A 11 -0.641 -18.799 1.880 1.00 0.00 C ATOM 274 NH1 ARG A 11 -0.857 -17.807 2.735 1.00 0.00 N ATOM 275 NH2 ARG A 11 -0.826 -20.053 2.269 1.00 0.00 N ATOM 0 H ARG A 11 2.685 -17.613 -3.280 1.00 0.00 H new ATOM 0 HA ARG A 11 3.440 -16.418 -0.872 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.970 -18.995 -1.527 1.00 0.00 H new ATOM 0 HB3 ARG A 11 2.147 -18.400 0.112 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.189 -16.187 -1.350 1.00 0.00 H new ATOM 0 HG3 ARG A 11 0.293 -17.557 -1.977 1.00 0.00 H new ATOM 0 HD2 ARG A 11 0.454 -16.582 0.889 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -0.969 -16.730 -0.123 1.00 0.00 H new ATOM 0 HE ARG A 11 -0.085 -19.329 0.008 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -0.717 -16.840 2.441 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -1.163 -18.011 3.686 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -0.662 -20.819 1.616 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -1.132 -20.252 3.221 1.00 0.00 H new ATOM 289 N ALA A 12 5.367 -17.608 0.092 1.00 0.00 N ATOM 290 CA ALA A 12 6.528 -18.269 0.675 1.00 0.00 C ATOM 291 C ALA A 12 6.306 -18.568 2.155 1.00 0.00 C ATOM 292 O ALA A 12 5.462 -17.948 2.802 1.00 0.00 O ATOM 293 CB ALA A 12 7.772 -17.412 0.488 1.00 0.00 C ATOM 0 H ALA A 12 5.217 -16.654 0.419 1.00 0.00 H new ATOM 0 HA ALA A 12 6.672 -19.218 0.158 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.632 -17.918 0.928 1.00 0.00 H new ATOM 0 HB2 ALA A 12 7.949 -17.255 -0.576 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.627 -16.449 0.978 1.00 0.00 H new ATOM 299 N PRO A 13 7.066 -19.527 2.713 1.00 0.00 N ATOM 300 CA PRO A 13 6.949 -19.904 4.124 1.00 0.00 C ATOM 301 C PRO A 13 7.215 -18.728 5.056 1.00 0.00 C ATOM 302 O PRO A 13 8.023 -17.851 4.750 1.00 0.00 O ATOM 303 CB PRO A 13 8.020 -20.988 4.307 1.00 0.00 C ATOM 304 CG PRO A 13 8.942 -20.827 3.147 1.00 0.00 C ATOM 305 CD PRO A 13 8.098 -20.312 2.018 1.00 0.00 C ATOM 0 HA PRO A 13 5.943 -20.245 4.369 1.00 0.00 H new ATOM 0 HB2 PRO A 13 8.550 -20.863 5.251 1.00 0.00 H new ATOM 0 HB3 PRO A 13 7.575 -21.983 4.321 1.00 0.00 H new ATOM 0 HG2 PRO A 13 9.747 -20.131 3.382 1.00 0.00 H new ATOM 0 HG3 PRO A 13 9.408 -21.776 2.884 1.00 0.00 H new ATOM 0 HD2 PRO A 13 8.677 -19.698 1.328 1.00 0.00 H new ATOM 0 HD3 PRO A 13 7.664 -21.124 1.435 1.00 0.00 H new ATOM 313 N GLY A 14 6.527 -18.713 6.192 1.00 0.00 N ATOM 314 CA GLY A 14 6.700 -17.637 7.150 1.00 0.00 C ATOM 315 C GLY A 14 5.519 -16.689 7.166 1.00 0.00 C ATOM 316 O GLY A 14 5.190 -16.113 8.204 1.00 0.00 O ATOM 0 H GLY A 14 5.852 -19.427 6.467 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.839 -18.058 8.146 1.00 0.00 H new ATOM 0 HA3 GLY A 14 7.606 -17.081 6.910 1.00 0.00 H new ATOM 320 N PHE A 15 4.877 -16.527 6.013 1.00 0.00 N ATOM 321 CA PHE A 15 3.722 -15.645 5.898 1.00 0.00 C ATOM 322 C PHE A 15 2.971 -15.900 4.596 1.00 0.00 C ATOM 323 O PHE A 15 1.754 -16.084 4.596 1.00 0.00 O ATOM 324 CB PHE A 15 4.161 -14.180 5.970 1.00 0.00 C ATOM 325 CG PHE A 15 3.173 -13.295 6.676 1.00 0.00 C ATOM 326 CD1 PHE A 15 2.935 -13.444 8.033 1.00 0.00 C ATOM 327 CD2 PHE A 15 2.482 -12.314 5.981 1.00 0.00 C ATOM 328 CE1 PHE A 15 2.027 -12.632 8.684 1.00 0.00 C ATOM 329 CE2 PHE A 15 1.572 -11.499 6.628 1.00 0.00 C ATOM 330 CZ PHE A 15 1.343 -11.659 7.981 1.00 0.00 C ATOM 0 H PHE A 15 5.138 -16.995 5.145 1.00 0.00 H new ATOM 0 HA PHE A 15 3.051 -15.856 6.731 1.00 0.00 H new ATOM 0 HB2 PHE A 15 5.121 -14.121 6.482 1.00 0.00 H new ATOM 0 HB3 PHE A 15 4.316 -13.805 4.958 1.00 0.00 H new ATOM 0 HD1 PHE A 15 3.466 -14.204 8.588 1.00 0.00 H new ATOM 0 HD2 PHE A 15 2.657 -12.185 4.923 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.852 -12.758 9.742 1.00 0.00 H new ATOM 0 HE2 PHE A 15 1.040 -10.738 6.076 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.631 -11.025 8.488 1.00 0.00 H new ATOM 340 N GLY A 16 3.704 -15.911 3.488 1.00 0.00 N ATOM 341 CA GLY A 16 3.089 -16.146 2.196 1.00 0.00 C ATOM 342 C GLY A 16 2.983 -14.883 1.365 1.00 0.00 C ATOM 343 O GLY A 16 3.770 -14.671 0.442 1.00 0.00 O ATOM 0 H GLY A 16 4.713 -15.761 3.462 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.671 -16.888 1.650 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.094 -16.566 2.342 1.00 0.00 H new ATOM 347 N PHE A 17 2.007 -14.043 1.692 1.00 0.00 N ATOM 348 CA PHE A 17 1.800 -12.794 0.968 1.00 0.00 C ATOM 349 C PHE A 17 3.039 -11.908 1.044 1.00 0.00 C ATOM 350 O PHE A 17 3.387 -11.227 0.080 1.00 0.00 O ATOM 351 CB PHE A 17 0.590 -12.050 1.537 1.00 0.00 C ATOM 352 CG PHE A 17 -0.119 -11.192 0.529 1.00 0.00 C ATOM 353 CD1 PHE A 17 -0.428 -11.687 -0.728 1.00 0.00 C ATOM 354 CD2 PHE A 17 -0.476 -9.890 0.839 1.00 0.00 C ATOM 355 CE1 PHE A 17 -1.082 -10.899 -1.656 1.00 0.00 C ATOM 356 CE2 PHE A 17 -1.130 -9.097 -0.085 1.00 0.00 C ATOM 357 CZ PHE A 17 -1.433 -9.602 -1.335 1.00 0.00 C ATOM 0 H PHE A 17 1.347 -14.204 2.453 1.00 0.00 H new ATOM 0 HA PHE A 17 1.614 -13.034 -0.079 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -0.114 -12.776 1.942 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.917 -11.425 2.368 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.155 -12.700 -0.985 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -0.241 -9.490 1.814 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.319 -11.297 -2.632 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -1.404 -8.084 0.170 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.943 -8.984 -2.059 1.00 0.00 H new ATOM 367 N GLY A 18 3.701 -11.922 2.198 1.00 0.00 N ATOM 368 CA GLY A 18 4.894 -11.116 2.377 1.00 0.00 C ATOM 369 C GLY A 18 4.594 -9.729 2.918 1.00 0.00 C ATOM 370 O GLY A 18 5.472 -9.072 3.474 1.00 0.00 O ATOM 0 H GLY A 18 3.432 -12.477 3.011 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.573 -11.628 3.059 1.00 0.00 H new ATOM 0 HA3 GLY A 18 5.411 -11.024 1.422 1.00 0.00 H new ATOM 374 N ILE A 19 3.352 -9.281 2.752 1.00 0.00 N ATOM 375 CA ILE A 19 2.947 -7.964 3.227 1.00 0.00 C ATOM 376 C ILE A 19 1.558 -8.010 3.854 1.00 0.00 C ATOM 377 O ILE A 19 0.869 -9.028 3.790 1.00 0.00 O ATOM 378 CB ILE A 19 2.945 -6.931 2.084 1.00 0.00 C ATOM 379 CG1 ILE A 19 2.056 -7.412 0.933 1.00 0.00 C ATOM 380 CG2 ILE A 19 4.365 -6.673 1.597 1.00 0.00 C ATOM 381 CD1 ILE A 19 1.076 -6.366 0.447 1.00 0.00 C ATOM 0 H ILE A 19 2.611 -9.811 2.293 1.00 0.00 H new ATOM 0 HA ILE A 19 3.675 -7.662 3.980 1.00 0.00 H new ATOM 0 HB ILE A 19 2.539 -5.993 2.463 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.689 -7.720 0.100 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.503 -8.294 1.256 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.345 -5.941 0.790 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.968 -6.289 2.420 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.799 -7.604 1.232 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.480 -6.777 -0.368 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.418 -6.075 1.266 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.623 -5.492 0.093 1.00 0.00 H new ATOM 393 N ALA A 20 1.151 -6.898 4.458 1.00 0.00 N ATOM 394 CA ALA A 20 -0.157 -6.808 5.095 1.00 0.00 C ATOM 395 C ALA A 20 -0.945 -5.618 4.558 1.00 0.00 C ATOM 396 O ALA A 20 -0.528 -4.469 4.702 1.00 0.00 O ATOM 397 CB ALA A 20 -0.002 -6.704 6.605 1.00 0.00 C ATOM 0 H ALA A 20 1.709 -6.046 4.519 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.713 -7.716 4.861 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.986 -6.637 7.068 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.516 -7.587 6.979 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.576 -5.813 6.851 1.00 0.00 H new ATOM 403 N ILE A 21 -2.086 -5.901 3.938 1.00 0.00 N ATOM 404 CA ILE A 21 -2.931 -4.853 3.379 1.00 0.00 C ATOM 405 C ILE A 21 -3.727 -4.146 4.471 1.00 0.00 C ATOM 406 O ILE A 21 -3.917 -4.685 5.561 1.00 0.00 O ATOM 407 CB ILE A 21 -3.910 -5.416 2.330 1.00 0.00 C ATOM 408 CG1 ILE A 21 -4.638 -6.641 2.884 1.00 0.00 C ATOM 409 CG2 ILE A 21 -3.168 -5.766 1.048 1.00 0.00 C ATOM 410 CD1 ILE A 21 -5.960 -6.917 2.204 1.00 0.00 C ATOM 0 H ILE A 21 -2.446 -6.847 3.810 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.265 -4.138 2.896 1.00 0.00 H new ATOM 0 HB ILE A 21 -4.652 -4.652 2.100 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -3.995 -7.515 2.778 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -4.810 -6.500 3.951 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.872 -6.162 0.317 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -2.693 -4.871 0.646 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.406 -6.516 1.262 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -6.420 -7.800 2.648 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -6.621 -6.060 2.332 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -5.793 -7.091 1.141 1.00 0.00 H new ATOM 422 N SER A 22 -4.191 -2.938 4.170 1.00 0.00 N ATOM 423 CA SER A 22 -4.968 -2.157 5.127 1.00 0.00 C ATOM 424 C SER A 22 -5.958 -1.246 4.407 1.00 0.00 C ATOM 425 O SER A 22 -5.611 -0.585 3.428 1.00 0.00 O ATOM 426 CB SER A 22 -4.037 -1.325 6.011 1.00 0.00 C ATOM 427 OG SER A 22 -4.352 -1.493 7.383 1.00 0.00 O ATOM 0 H SER A 22 -4.043 -2.478 3.272 1.00 0.00 H new ATOM 0 HA SER A 22 -5.530 -2.849 5.755 1.00 0.00 H new ATOM 0 HB2 SER A 22 -3.003 -1.619 5.833 1.00 0.00 H new ATOM 0 HB3 SER A 22 -4.120 -0.272 5.742 1.00 0.00 H new ATOM 0 HG SER A 22 -3.785 -0.904 7.923 1.00 0.00 H new ATOM 433 N GLY A 23 -7.192 -1.216 4.900 1.00 0.00 N ATOM 434 CA GLY A 23 -8.213 -0.383 4.290 1.00 0.00 C ATOM 435 C GLY A 23 -9.577 -1.045 4.286 1.00 0.00 C ATOM 436 O GLY A 23 -9.909 -1.805 5.195 1.00 0.00 O ATOM 0 H GLY A 23 -7.503 -1.753 5.710 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.274 0.563 4.827 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.923 -0.150 3.265 1.00 0.00 H new ATOM 440 N GLY A 24 -10.368 -0.753 3.260 1.00 0.00 N ATOM 441 CA GLY A 24 -11.697 -1.331 3.157 1.00 0.00 C ATOM 442 C GLY A 24 -12.749 -0.302 2.793 1.00 0.00 C ATOM 443 O GLY A 24 -12.968 0.660 3.529 1.00 0.00 O ATOM 0 H GLY A 24 -10.114 -0.126 2.497 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.690 -2.120 2.405 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.962 -1.797 4.106 1.00 0.00 H new ATOM 447 N ARG A 25 -13.400 -0.506 1.652 1.00 0.00 N ATOM 448 CA ARG A 25 -14.434 0.411 1.187 1.00 0.00 C ATOM 449 C ARG A 25 -15.693 0.293 2.040 1.00 0.00 C ATOM 450 O ARG A 25 -16.414 1.271 2.238 1.00 0.00 O ATOM 451 CB ARG A 25 -14.768 0.129 -0.280 1.00 0.00 C ATOM 452 CG ARG A 25 -15.427 -1.223 -0.507 1.00 0.00 C ATOM 453 CD ARG A 25 -16.921 -1.083 -0.759 1.00 0.00 C ATOM 454 NE ARG A 25 -17.360 -1.883 -1.900 1.00 0.00 N ATOM 455 CZ ARG A 25 -17.547 -3.201 -1.854 1.00 0.00 C ATOM 456 NH1 ARG A 25 -17.340 -3.869 -0.726 1.00 0.00 N ATOM 457 NH2 ARG A 25 -17.944 -3.851 -2.939 1.00 0.00 N ATOM 0 H ARG A 25 -13.230 -1.298 1.033 1.00 0.00 H new ATOM 0 HA ARG A 25 -14.052 1.428 1.279 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -15.429 0.913 -0.650 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -13.852 0.180 -0.869 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -14.959 -1.718 -1.358 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -15.262 -1.859 0.363 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -17.469 -1.390 0.132 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -17.162 -0.035 -0.937 1.00 0.00 H new ATOM 0 HE ARG A 25 -17.533 -1.404 -2.784 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -17.036 -3.373 0.112 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -17.485 -4.878 -0.697 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -18.106 -3.342 -3.808 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -18.088 -4.860 -2.905 1.00 0.00 H new ATOM 613 N SER A 36 -8.100 3.787 -1.718 1.00 0.00 N ATOM 614 CA SER A 36 -7.206 2.719 -2.153 1.00 0.00 C ATOM 615 C SER A 36 -6.572 2.018 -0.956 1.00 0.00 C ATOM 616 O SER A 36 -6.299 2.641 0.070 1.00 0.00 O ATOM 617 CB SER A 36 -6.115 3.280 -3.066 1.00 0.00 C ATOM 618 OG SER A 36 -5.810 2.373 -4.112 1.00 0.00 O ATOM 0 HA SER A 36 -7.796 1.989 -2.708 1.00 0.00 H new ATOM 0 HB2 SER A 36 -6.442 4.230 -3.488 1.00 0.00 H new ATOM 0 HB3 SER A 36 -5.217 3.483 -2.483 1.00 0.00 H new ATOM 0 HG SER A 36 -6.636 2.111 -4.569 1.00 0.00 H new ATOM 624 N ILE A 37 -6.341 0.716 -1.093 1.00 0.00 N ATOM 625 CA ILE A 37 -5.739 -0.069 -0.022 1.00 0.00 C ATOM 626 C ILE A 37 -4.258 0.268 0.143 1.00 0.00 C ATOM 627 O ILE A 37 -3.556 0.518 -0.837 1.00 0.00 O ATOM 628 CB ILE A 37 -5.892 -1.583 -0.280 1.00 0.00 C ATOM 629 CG1 ILE A 37 -5.533 -2.379 0.978 1.00 0.00 C ATOM 630 CG2 ILE A 37 -5.026 -2.020 -1.453 1.00 0.00 C ATOM 631 CD1 ILE A 37 -6.736 -2.778 1.804 1.00 0.00 C ATOM 0 H ILE A 37 -6.561 0.183 -1.934 1.00 0.00 H new ATOM 0 HA ILE A 37 -6.268 0.188 0.896 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.933 -1.784 -0.532 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -4.988 -3.277 0.687 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.860 -1.784 1.595 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.149 -3.090 -1.617 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -5.327 -1.478 -2.350 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -3.980 -1.805 -1.233 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -6.407 -3.339 2.679 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.269 -1.883 2.126 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -7.400 -3.400 1.203 1.00 0.00 H new ATOM 643 N VAL A 38 -3.790 0.271 1.386 1.00 0.00 N ATOM 644 CA VAL A 38 -2.394 0.575 1.678 1.00 0.00 C ATOM 645 C VAL A 38 -1.754 -0.535 2.507 1.00 0.00 C ATOM 646 O VAL A 38 -2.448 -1.309 3.167 1.00 0.00 O ATOM 647 CB VAL A 38 -2.258 1.914 2.431 1.00 0.00 C ATOM 648 CG1 VAL A 38 -2.979 1.857 3.769 1.00 0.00 C ATOM 649 CG2 VAL A 38 -0.791 2.276 2.622 1.00 0.00 C ATOM 0 H VAL A 38 -4.357 0.066 2.208 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.877 0.653 0.722 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.725 2.693 1.828 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.869 2.812 4.282 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.037 1.653 3.604 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.548 1.065 4.381 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.717 3.224 3.155 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.296 1.495 3.199 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.309 2.369 1.649 1.00 0.00 H new ATOM 659 N ILE A 39 -0.427 -0.606 2.470 1.00 0.00 N ATOM 660 CA ILE A 39 0.305 -1.622 3.219 1.00 0.00 C ATOM 661 C ILE A 39 0.515 -1.191 4.666 1.00 0.00 C ATOM 662 O ILE A 39 1.182 -0.194 4.937 1.00 0.00 O ATOM 663 CB ILE A 39 1.674 -1.918 2.575 1.00 0.00 C ATOM 664 CG1 ILE A 39 1.509 -2.212 1.081 1.00 0.00 C ATOM 665 CG2 ILE A 39 2.348 -3.086 3.280 1.00 0.00 C ATOM 666 CD1 ILE A 39 1.939 -1.068 0.189 1.00 0.00 C ATOM 0 H ILE A 39 0.163 0.027 1.930 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.299 -2.529 3.198 1.00 0.00 H new ATOM 0 HB ILE A 39 2.308 -1.038 2.683 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.090 -3.098 0.827 1.00 0.00 H new ATOM 0 HG13 ILE A 39 0.464 -2.447 0.878 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.314 -3.284 2.815 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.496 -2.840 4.332 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.718 -3.972 3.199 1.00 0.00 H new ATOM 0 HD11 ILE A 39 1.795 -1.346 -0.855 1.00 0.00 H new ATOM 0 HD12 ILE A 39 1.341 -0.185 0.415 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.992 -0.847 0.363 1.00 0.00 H new ATOM 678 N SER A 40 -0.062 -1.951 5.592 1.00 0.00 N ATOM 679 CA SER A 40 0.060 -1.649 7.014 1.00 0.00 C ATOM 680 C SER A 40 1.447 -2.012 7.535 1.00 0.00 C ATOM 681 O SER A 40 2.216 -1.140 7.940 1.00 0.00 O ATOM 682 CB SER A 40 -1.009 -2.403 7.808 1.00 0.00 C ATOM 683 OG SER A 40 -0.924 -3.799 7.579 1.00 0.00 O ATOM 0 H SER A 40 -0.618 -2.780 5.383 1.00 0.00 H new ATOM 0 HA SER A 40 -0.085 -0.577 7.145 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.889 -2.198 8.872 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.998 -2.044 7.524 1.00 0.00 H new ATOM 0 HG SER A 40 -1.616 -4.258 8.099 1.00 0.00 H new ATOM 689 N ASP A 41 1.760 -3.304 7.523 1.00 0.00 N ATOM 690 CA ASP A 41 3.054 -3.780 7.997 1.00 0.00 C ATOM 691 C ASP A 41 3.540 -4.960 7.160 1.00 0.00 C ATOM 692 O ASP A 41 2.741 -5.678 6.560 1.00 0.00 O ATOM 693 CB ASP A 41 2.964 -4.189 9.468 1.00 0.00 C ATOM 694 CG ASP A 41 2.985 -2.995 10.402 1.00 0.00 C ATOM 695 OD1 ASP A 41 1.952 -2.300 10.501 1.00 0.00 O ATOM 696 OD2 ASP A 41 4.036 -2.754 11.033 1.00 0.00 O ATOM 0 H ASP A 41 1.136 -4.039 7.191 1.00 0.00 H new ATOM 0 HA ASP A 41 3.771 -2.965 7.896 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.048 -4.757 9.629 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.796 -4.851 9.710 1.00 0.00 H new ATOM 701 N VAL A 42 4.855 -5.153 7.125 1.00 0.00 N ATOM 702 CA VAL A 42 5.446 -6.245 6.363 1.00 0.00 C ATOM 703 C VAL A 42 6.437 -7.036 7.210 1.00 0.00 C ATOM 704 O VAL A 42 7.065 -6.493 8.119 1.00 0.00 O ATOM 705 CB VAL A 42 6.166 -5.727 5.104 1.00 0.00 C ATOM 706 CG1 VAL A 42 5.176 -5.077 4.151 1.00 0.00 C ATOM 707 CG2 VAL A 42 7.270 -4.750 5.481 1.00 0.00 C ATOM 0 H VAL A 42 5.530 -4.567 7.616 1.00 0.00 H new ATOM 0 HA VAL A 42 4.627 -6.898 6.062 1.00 0.00 H new ATOM 0 HB VAL A 42 6.622 -6.577 4.596 1.00 0.00 H new ATOM 0 HG11 VAL A 42 5.704 -4.717 3.268 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.425 -5.808 3.852 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.689 -4.239 4.649 1.00 0.00 H new ATOM 0 HG21 VAL A 42 7.766 -4.396 4.578 1.00 0.00 H new ATOM 0 HG22 VAL A 42 6.839 -3.903 6.015 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.996 -5.251 6.121 1.00 0.00 H new ATOM 717 N LEU A 43 6.571 -8.323 6.906 1.00 0.00 N ATOM 718 CA LEU A 43 7.486 -9.191 7.640 1.00 0.00 C ATOM 719 C LEU A 43 8.937 -8.876 7.286 1.00 0.00 C ATOM 720 O LEU A 43 9.836 -9.049 8.108 1.00 0.00 O ATOM 721 CB LEU A 43 7.183 -10.662 7.346 1.00 0.00 C ATOM 722 CG LEU A 43 6.851 -10.979 5.885 1.00 0.00 C ATOM 723 CD1 LEU A 43 7.578 -12.236 5.430 1.00 0.00 C ATOM 724 CD2 LEU A 43 5.348 -11.136 5.704 1.00 0.00 C ATOM 0 H LEU A 43 6.058 -8.788 6.157 1.00 0.00 H new ATOM 0 HA LEU A 43 7.342 -9.007 8.705 1.00 0.00 H new ATOM 0 HB2 LEU A 43 8.044 -11.261 7.645 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.345 -10.976 7.969 1.00 0.00 H new ATOM 0 HG LEU A 43 7.189 -10.147 5.267 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.329 -12.444 4.389 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.654 -12.088 5.523 1.00 0.00 H new ATOM 0 HD13 LEU A 43 7.273 -13.078 6.051 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.129 -11.361 4.660 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.989 -11.950 6.334 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.849 -10.210 5.988 1.00 0.00 H new ATOM 736 N LYS A 44 9.157 -8.415 6.059 1.00 0.00 N ATOM 737 CA LYS A 44 10.499 -8.078 5.597 1.00 0.00 C ATOM 738 C LYS A 44 11.376 -9.322 5.518 1.00 0.00 C ATOM 739 O LYS A 44 12.589 -9.255 5.719 1.00 0.00 O ATOM 740 CB LYS A 44 11.141 -7.045 6.528 1.00 0.00 C ATOM 741 CG LYS A 44 12.342 -6.340 5.919 1.00 0.00 C ATOM 742 CD LYS A 44 13.202 -5.679 6.985 1.00 0.00 C ATOM 743 CE LYS A 44 14.682 -5.920 6.738 1.00 0.00 C ATOM 744 NZ LYS A 44 15.525 -5.370 7.836 1.00 0.00 N ATOM 0 H LYS A 44 8.423 -8.266 5.366 1.00 0.00 H new ATOM 0 HA LYS A 44 10.414 -7.651 4.598 1.00 0.00 H new ATOM 0 HB2 LYS A 44 10.393 -6.300 6.801 1.00 0.00 H new ATOM 0 HB3 LYS A 44 11.449 -7.540 7.449 1.00 0.00 H new ATOM 0 HG2 LYS A 44 12.942 -7.058 5.360 1.00 0.00 H new ATOM 0 HG3 LYS A 44 12.001 -5.588 5.207 1.00 0.00 H new ATOM 0 HD2 LYS A 44 13.005 -4.607 6.999 1.00 0.00 H new ATOM 0 HD3 LYS A 44 12.928 -6.067 7.966 1.00 0.00 H new ATOM 0 HE2 LYS A 44 14.864 -6.990 6.642 1.00 0.00 H new ATOM 0 HE3 LYS A 44 14.972 -5.461 5.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 16.527 -5.555 7.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 15.370 -4.344 7.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 15.266 -5.826 8.734 1.00 0.00 H new ATOM 758 N GLY A 45 10.754 -10.460 5.223 1.00 0.00 N ATOM 759 CA GLY A 45 11.492 -11.704 5.121 1.00 0.00 C ATOM 760 C GLY A 45 10.938 -12.627 4.050 1.00 0.00 C ATOM 761 O GLY A 45 11.238 -13.821 4.037 1.00 0.00 O ATOM 0 H GLY A 45 9.752 -10.542 5.053 1.00 0.00 H new ATOM 0 HA2 GLY A 45 12.537 -11.485 4.901 1.00 0.00 H new ATOM 0 HA3 GLY A 45 11.469 -12.215 6.083 1.00 0.00 H new ATOM 765 N GLY A 46 10.129 -12.075 3.150 1.00 0.00 N ATOM 766 CA GLY A 46 9.550 -12.874 2.085 1.00 0.00 C ATOM 767 C GLY A 46 9.624 -12.185 0.736 1.00 0.00 C ATOM 768 O GLY A 46 10.314 -11.176 0.590 1.00 0.00 O ATOM 0 H GLY A 46 9.865 -11.090 3.139 1.00 0.00 H new ATOM 0 HA2 GLY A 46 10.069 -13.831 2.030 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.508 -13.090 2.322 1.00 0.00 H new ATOM 772 N PRO A 47 8.916 -12.709 -0.281 1.00 0.00 N ATOM 773 CA PRO A 47 8.913 -12.123 -1.626 1.00 0.00 C ATOM 774 C PRO A 47 8.595 -10.633 -1.607 1.00 0.00 C ATOM 775 O PRO A 47 9.089 -9.871 -2.439 1.00 0.00 O ATOM 776 CB PRO A 47 7.809 -12.898 -2.349 1.00 0.00 C ATOM 777 CG PRO A 47 7.734 -14.203 -1.635 1.00 0.00 C ATOM 778 CD PRO A 47 8.063 -13.909 -0.197 1.00 0.00 C ATOM 0 HA PRO A 47 9.889 -12.199 -2.106 1.00 0.00 H new ATOM 0 HB2 PRO A 47 6.858 -12.367 -2.305 1.00 0.00 H new ATOM 0 HB3 PRO A 47 8.048 -13.037 -3.403 1.00 0.00 H new ATOM 0 HG2 PRO A 47 6.740 -14.641 -1.726 1.00 0.00 H new ATOM 0 HG3 PRO A 47 8.438 -14.920 -2.058 1.00 0.00 H new ATOM 0 HD2 PRO A 47 7.164 -13.723 0.391 1.00 0.00 H new ATOM 0 HD3 PRO A 47 8.586 -14.741 0.274 1.00 0.00 H new ATOM 786 N ALA A 48 7.766 -10.222 -0.653 1.00 0.00 N ATOM 787 CA ALA A 48 7.380 -8.822 -0.523 1.00 0.00 C ATOM 788 C ALA A 48 8.110 -8.158 0.640 1.00 0.00 C ATOM 789 O ALA A 48 7.596 -7.224 1.255 1.00 0.00 O ATOM 790 CB ALA A 48 5.875 -8.706 -0.340 1.00 0.00 C ATOM 0 H ALA A 48 7.348 -10.840 0.043 1.00 0.00 H new ATOM 0 HA ALA A 48 7.664 -8.304 -1.439 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.600 -7.656 -0.244 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.369 -9.136 -1.204 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.575 -9.243 0.560 1.00 0.00 H new ATOM 796 N GLU A 49 9.309 -8.648 0.938 1.00 0.00 N ATOM 797 CA GLU A 49 10.110 -8.103 2.030 1.00 0.00 C ATOM 798 C GLU A 49 10.373 -6.614 1.826 1.00 0.00 C ATOM 799 O GLU A 49 10.482 -5.856 2.791 1.00 0.00 O ATOM 800 CB GLU A 49 11.437 -8.855 2.142 1.00 0.00 C ATOM 801 CG GLU A 49 12.255 -8.844 0.859 1.00 0.00 C ATOM 802 CD GLU A 49 13.744 -8.743 1.118 1.00 0.00 C ATOM 803 OE1 GLU A 49 14.244 -9.467 2.004 1.00 0.00 O ATOM 804 OE2 GLU A 49 14.413 -7.940 0.433 1.00 0.00 O ATOM 0 H GLU A 49 9.748 -9.422 0.439 1.00 0.00 H new ATOM 0 HA GLU A 49 9.548 -8.230 2.955 1.00 0.00 H new ATOM 0 HB2 GLU A 49 12.029 -8.413 2.944 1.00 0.00 H new ATOM 0 HB3 GLU A 49 11.236 -9.888 2.426 1.00 0.00 H new ATOM 0 HG2 GLU A 49 12.049 -9.753 0.294 1.00 0.00 H new ATOM 0 HG3 GLU A 49 11.940 -8.005 0.239 1.00 0.00 H new ATOM 811 N GLY A 50 10.477 -6.202 0.567 1.00 0.00 N ATOM 812 CA GLY A 50 10.729 -4.806 0.264 1.00 0.00 C ATOM 813 C GLY A 50 10.214 -4.406 -1.105 1.00 0.00 C ATOM 814 O GLY A 50 10.730 -3.471 -1.719 1.00 0.00 O ATOM 0 H GLY A 50 10.391 -6.809 -0.248 1.00 0.00 H new ATOM 0 HA2 GLY A 50 10.257 -4.182 1.023 1.00 0.00 H new ATOM 0 HA3 GLY A 50 11.801 -4.614 0.316 1.00 0.00 H new ATOM 818 N GLN A 51 9.194 -5.110 -1.583 1.00 0.00 N ATOM 819 CA GLN A 51 8.610 -4.820 -2.887 1.00 0.00 C ATOM 820 C GLN A 51 7.409 -3.891 -2.747 1.00 0.00 C ATOM 821 O GLN A 51 7.200 -3.000 -3.571 1.00 0.00 O ATOM 822 CB GLN A 51 8.193 -6.118 -3.584 1.00 0.00 C ATOM 823 CG GLN A 51 8.982 -6.408 -4.851 1.00 0.00 C ATOM 824 CD GLN A 51 8.106 -6.910 -5.981 1.00 0.00 C ATOM 825 OE1 GLN A 51 8.615 -7.874 -6.741 1.00 0.00 O flip ATOM 826 NE2 GLN A 51 6.986 -6.439 -6.170 1.00 0.00 N flip ATOM 0 H GLN A 51 8.755 -5.885 -1.087 1.00 0.00 H new ATOM 0 HA GLN A 51 9.364 -4.320 -3.494 1.00 0.00 H new ATOM 0 HB2 GLN A 51 8.317 -6.949 -2.890 1.00 0.00 H new ATOM 0 HB3 GLN A 51 7.133 -6.064 -3.830 1.00 0.00 H new ATOM 0 HG2 GLN A 51 9.496 -5.501 -5.170 1.00 0.00 H new ATOM 0 HG3 GLN A 51 9.750 -7.150 -4.634 1.00 0.00 H new ATOM 0 HE21 GLN A 51 6.634 -5.699 -5.562 1.00 0.00 H new ATOM 0 HE22 GLN A 51 6.408 -6.788 -6.935 1.00 0.00 H new ATOM 835 N LEU A 52 6.623 -4.105 -1.697 1.00 0.00 N ATOM 836 CA LEU A 52 5.441 -3.287 -1.447 1.00 0.00 C ATOM 837 C LEU A 52 5.534 -2.601 -0.087 1.00 0.00 C ATOM 838 O LEU A 52 5.723 -3.257 0.938 1.00 0.00 O ATOM 839 CB LEU A 52 4.176 -4.144 -1.514 1.00 0.00 C ATOM 840 CG LEU A 52 4.178 -5.214 -2.608 1.00 0.00 C ATOM 841 CD1 LEU A 52 3.140 -6.284 -2.309 1.00 0.00 C ATOM 842 CD2 LEU A 52 3.921 -4.583 -3.967 1.00 0.00 C ATOM 0 H LEU A 52 6.783 -4.838 -1.006 1.00 0.00 H new ATOM 0 HA LEU A 52 5.391 -2.520 -2.220 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.034 -4.632 -0.550 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.319 -3.489 -1.669 1.00 0.00 H new ATOM 0 HG LEU A 52 5.160 -5.687 -2.628 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.156 -7.036 -3.097 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.368 -6.755 -1.353 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.151 -5.828 -2.262 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.926 -5.357 -4.734 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.951 -4.085 -3.960 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.702 -3.854 -4.183 1.00 0.00 H new ATOM 854 N GLN A 53 5.400 -1.279 -0.086 1.00 0.00 N ATOM 855 CA GLN A 53 5.469 -0.506 1.149 1.00 0.00 C ATOM 856 C GLN A 53 4.646 0.773 1.038 1.00 0.00 C ATOM 857 O GLN A 53 4.127 1.099 -0.030 1.00 0.00 O ATOM 858 CB GLN A 53 6.922 -0.162 1.480 1.00 0.00 C ATOM 859 CG GLN A 53 7.586 0.736 0.449 1.00 0.00 C ATOM 860 CD GLN A 53 8.911 0.184 -0.042 1.00 0.00 C ATOM 861 OE1 GLN A 53 9.052 -0.178 -1.210 1.00 0.00 O ATOM 862 NE2 GLN A 53 9.892 0.118 0.851 1.00 0.00 N ATOM 0 H GLN A 53 5.243 -0.721 -0.925 1.00 0.00 H new ATOM 0 HA GLN A 53 5.054 -1.115 1.952 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.958 0.328 2.453 1.00 0.00 H new ATOM 0 HB3 GLN A 53 7.494 -1.086 1.567 1.00 0.00 H new ATOM 0 HG2 GLN A 53 6.914 0.866 -0.400 1.00 0.00 H new ATOM 0 HG3 GLN A 53 7.747 1.723 0.883 1.00 0.00 H new ATOM 0 HE21 GLN A 53 9.731 0.429 1.809 1.00 0.00 H new ATOM 0 HE22 GLN A 53 10.806 -0.244 0.579 1.00 0.00 H new ATOM 871 N GLU A 54 4.529 1.494 2.149 1.00 0.00 N ATOM 872 CA GLU A 54 3.769 2.740 2.180 1.00 0.00 C ATOM 873 C GLU A 54 4.255 3.708 1.105 1.00 0.00 C ATOM 874 O GLU A 54 3.505 4.571 0.648 1.00 0.00 O ATOM 875 CB GLU A 54 3.879 3.393 3.559 1.00 0.00 C ATOM 876 CG GLU A 54 2.754 3.009 4.507 1.00 0.00 C ATOM 877 CD GLU A 54 1.873 4.186 4.876 1.00 0.00 C ATOM 878 OE1 GLU A 54 1.742 5.112 4.049 1.00 0.00 O ATOM 879 OE2 GLU A 54 1.314 4.181 5.993 1.00 0.00 O ATOM 0 H GLU A 54 4.951 1.237 3.041 1.00 0.00 H new ATOM 0 HA GLU A 54 2.725 2.502 1.978 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.832 3.115 4.008 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.888 4.476 3.439 1.00 0.00 H new ATOM 0 HG2 GLU A 54 2.143 2.234 4.044 1.00 0.00 H new ATOM 0 HG3 GLU A 54 3.179 2.580 5.414 1.00 0.00 H new ATOM 886 N ASN A 55 5.515 3.560 0.703 1.00 0.00 N ATOM 887 CA ASN A 55 6.098 4.422 -0.319 1.00 0.00 C ATOM 888 C ASN A 55 5.303 4.339 -1.619 1.00 0.00 C ATOM 889 O ASN A 55 5.250 5.300 -2.387 1.00 0.00 O ATOM 890 CB ASN A 55 7.556 4.032 -0.573 1.00 0.00 C ATOM 891 CG ASN A 55 8.457 4.378 0.596 1.00 0.00 C ATOM 892 OD1 ASN A 55 8.355 3.785 1.671 1.00 0.00 O ATOM 893 ND2 ASN A 55 9.348 5.341 0.392 1.00 0.00 N ATOM 0 H ASN A 55 6.151 2.851 1.070 1.00 0.00 H new ATOM 0 HA ASN A 55 6.061 5.449 0.043 1.00 0.00 H new ATOM 0 HB2 ASN A 55 7.614 2.961 -0.769 1.00 0.00 H new ATOM 0 HB3 ASN A 55 7.915 4.540 -1.468 1.00 0.00 H new ATOM 0 HD21 ASN A 55 9.983 5.616 1.142 1.00 0.00 H new ATOM 0 HD22 ASN A 55 9.398 5.806 -0.515 1.00 0.00 H new ATOM 900 N ASP A 56 4.683 3.188 -1.857 1.00 0.00 N ATOM 901 CA ASP A 56 3.890 2.981 -3.059 1.00 0.00 C ATOM 902 C ASP A 56 2.401 2.991 -2.728 1.00 0.00 C ATOM 903 O ASP A 56 2.005 3.348 -1.619 1.00 0.00 O ATOM 904 CB ASP A 56 4.269 1.655 -3.724 1.00 0.00 C ATOM 905 CG ASP A 56 5.764 1.526 -3.950 1.00 0.00 C ATOM 906 OD1 ASP A 56 6.534 1.832 -3.016 1.00 0.00 O ATOM 907 OD2 ASP A 56 6.163 1.118 -5.060 1.00 0.00 O ATOM 0 H ASP A 56 4.716 2.384 -1.231 1.00 0.00 H new ATOM 0 HA ASP A 56 4.099 3.797 -3.751 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.926 0.829 -3.101 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.751 1.570 -4.680 1.00 0.00 H new ATOM 912 N ARG A 57 1.582 2.597 -3.695 1.00 0.00 N ATOM 913 CA ARG A 57 0.137 2.562 -3.502 1.00 0.00 C ATOM 914 C ARG A 57 -0.492 1.406 -4.276 1.00 0.00 C ATOM 915 O ARG A 57 -0.371 1.326 -5.499 1.00 0.00 O ATOM 916 CB ARG A 57 -0.490 3.887 -3.944 1.00 0.00 C ATOM 917 CG ARG A 57 -0.163 5.051 -3.023 1.00 0.00 C ATOM 918 CD ARG A 57 -1.403 5.868 -2.693 1.00 0.00 C ATOM 919 NE ARG A 57 -1.632 6.934 -3.667 1.00 0.00 N ATOM 920 CZ ARG A 57 -0.919 8.056 -3.719 1.00 0.00 C ATOM 921 NH1 ARG A 57 0.070 8.264 -2.858 1.00 0.00 N ATOM 922 NH2 ARG A 57 -1.195 8.974 -4.636 1.00 0.00 N ATOM 0 H ARG A 57 1.892 2.298 -4.619 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.057 2.411 -2.440 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -0.147 4.124 -4.951 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -1.572 3.768 -3.996 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.281 4.674 -2.102 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.581 5.692 -3.496 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -2.272 5.211 -2.663 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -1.297 6.302 -1.699 1.00 0.00 H new ATOM 0 HE ARG A 57 -2.382 6.810 -4.347 1.00 0.00 H new ATOM 0 HH11 ARG A 57 0.287 7.561 -2.151 1.00 0.00 H new ATOM 0 HH12 ARG A 57 0.613 9.126 -2.903 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -1.953 8.819 -5.300 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -0.649 9.835 -4.677 1.00 0.00 H new ATOM 936 N VAL A 58 -1.167 0.516 -3.556 1.00 0.00 N ATOM 937 CA VAL A 58 -1.819 -0.633 -4.174 1.00 0.00 C ATOM 938 C VAL A 58 -3.128 -0.222 -4.839 1.00 0.00 C ATOM 939 O VAL A 58 -3.962 0.447 -4.226 1.00 0.00 O ATOM 940 CB VAL A 58 -2.105 -1.740 -3.141 1.00 0.00 C ATOM 941 CG1 VAL A 58 -2.645 -2.987 -3.826 1.00 0.00 C ATOM 942 CG2 VAL A 58 -0.853 -2.066 -2.341 1.00 0.00 C ATOM 0 H VAL A 58 -1.277 0.568 -2.543 1.00 0.00 H new ATOM 0 HA VAL A 58 -1.135 -1.021 -4.928 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.865 -1.374 -2.450 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.840 -3.757 -3.079 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -3.571 -2.744 -4.347 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.911 -3.355 -4.543 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.077 -2.850 -1.618 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.069 -2.409 -3.016 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -0.514 -1.173 -1.815 1.00 0.00 H new ATOM 952 N ALA A 59 -3.303 -0.619 -6.096 1.00 0.00 N ATOM 953 CA ALA A 59 -4.512 -0.282 -6.840 1.00 0.00 C ATOM 954 C ALA A 59 -5.222 -1.526 -7.375 1.00 0.00 C ATOM 955 O ALA A 59 -6.324 -1.431 -7.914 1.00 0.00 O ATOM 956 CB ALA A 59 -4.177 0.662 -7.985 1.00 0.00 C ATOM 0 H ALA A 59 -2.625 -1.173 -6.619 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.194 0.213 -6.149 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.087 0.906 -8.533 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.737 1.576 -7.586 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.467 0.181 -8.657 1.00 0.00 H new ATOM 962 N MET A 60 -4.591 -2.689 -7.231 1.00 0.00 N ATOM 963 CA MET A 60 -5.183 -3.932 -7.713 1.00 0.00 C ATOM 964 C MET A 60 -4.559 -5.145 -7.029 1.00 0.00 C ATOM 965 O MET A 60 -3.374 -5.143 -6.695 1.00 0.00 O ATOM 966 CB MET A 60 -5.013 -4.046 -9.228 1.00 0.00 C ATOM 967 CG MET A 60 -6.205 -4.677 -9.929 1.00 0.00 C ATOM 968 SD MET A 60 -6.486 -3.993 -11.573 1.00 0.00 S ATOM 969 CE MET A 60 -5.191 -4.806 -12.504 1.00 0.00 C ATOM 0 H MET A 60 -3.678 -2.796 -6.788 1.00 0.00 H new ATOM 0 HA MET A 60 -6.245 -3.912 -7.469 1.00 0.00 H new ATOM 0 HB2 MET A 60 -4.843 -3.052 -9.642 1.00 0.00 H new ATOM 0 HB3 MET A 60 -4.122 -4.637 -9.442 1.00 0.00 H new ATOM 0 HG2 MET A 60 -6.047 -5.752 -10.009 1.00 0.00 H new ATOM 0 HG3 MET A 60 -7.098 -4.531 -9.321 1.00 0.00 H new ATOM 0 HE1 MET A 60 -5.234 -4.484 -13.545 1.00 0.00 H new ATOM 0 HE2 MET A 60 -4.220 -4.543 -12.083 1.00 0.00 H new ATOM 0 HE3 MET A 60 -5.329 -5.886 -12.452 1.00 0.00 H new ATOM 979 N VAL A 61 -5.367 -6.182 -6.831 1.00 0.00 N ATOM 980 CA VAL A 61 -4.904 -7.408 -6.196 1.00 0.00 C ATOM 981 C VAL A 61 -5.534 -8.632 -6.855 1.00 0.00 C ATOM 982 O VAL A 61 -6.756 -8.774 -6.878 1.00 0.00 O ATOM 983 CB VAL A 61 -5.224 -7.419 -4.688 1.00 0.00 C ATOM 984 CG1 VAL A 61 -6.727 -7.378 -4.455 1.00 0.00 C ATOM 985 CG2 VAL A 61 -4.607 -8.639 -4.020 1.00 0.00 C ATOM 0 H VAL A 61 -6.350 -6.196 -7.103 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.822 -7.446 -6.323 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.788 -6.526 -4.239 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.930 -7.387 -3.384 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -7.139 -6.470 -4.895 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -7.191 -8.248 -4.919 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.843 -8.630 -2.956 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.010 -9.545 -4.473 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.525 -8.618 -4.152 1.00 0.00 H new ATOM 995 N ASN A 62 -4.695 -9.509 -7.393 1.00 0.00 N ATOM 996 CA ASN A 62 -5.175 -10.717 -8.057 1.00 0.00 C ATOM 997 C ASN A 62 -6.149 -10.372 -9.179 1.00 0.00 C ATOM 998 O ASN A 62 -7.077 -11.130 -9.465 1.00 0.00 O ATOM 999 CB ASN A 62 -5.851 -11.644 -7.045 1.00 0.00 C ATOM 1000 CG ASN A 62 -5.841 -13.092 -7.491 1.00 0.00 C ATOM 1001 OD1 ASN A 62 -4.908 -13.839 -7.195 1.00 0.00 O ATOM 1002 ND2 ASN A 62 -6.883 -13.498 -8.209 1.00 0.00 N ATOM 0 H ASN A 62 -3.680 -9.407 -7.383 1.00 0.00 H new ATOM 0 HA ASN A 62 -4.316 -11.229 -8.492 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -5.344 -11.559 -6.084 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -6.881 -11.321 -6.892 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -6.931 -14.462 -8.538 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -7.635 -12.845 -8.431 1.00 0.00 H new ATOM 1009 N GLY A 63 -5.931 -9.224 -9.815 1.00 0.00 N ATOM 1010 CA GLY A 63 -6.797 -8.801 -10.901 1.00 0.00 C ATOM 1011 C GLY A 63 -7.948 -7.928 -10.434 1.00 0.00 C ATOM 1012 O GLY A 63 -8.550 -7.210 -11.232 1.00 0.00 O ATOM 0 H GLY A 63 -5.171 -8.580 -9.598 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.208 -8.253 -11.637 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.197 -9.681 -11.404 1.00 0.00 H new ATOM 1016 N VAL A 64 -8.259 -7.989 -9.142 1.00 0.00 N ATOM 1017 CA VAL A 64 -9.349 -7.199 -8.581 1.00 0.00 C ATOM 1018 C VAL A 64 -8.873 -5.809 -8.169 1.00 0.00 C ATOM 1019 O VAL A 64 -7.814 -5.658 -7.563 1.00 0.00 O ATOM 1020 CB VAL A 64 -9.976 -7.895 -7.359 1.00 0.00 C ATOM 1021 CG1 VAL A 64 -11.235 -7.165 -6.916 1.00 0.00 C ATOM 1022 CG2 VAL A 64 -10.277 -9.353 -7.672 1.00 0.00 C ATOM 0 H VAL A 64 -7.772 -8.577 -8.465 1.00 0.00 H new ATOM 0 HA VAL A 64 -10.101 -7.104 -9.364 1.00 0.00 H new ATOM 0 HB VAL A 64 -9.259 -7.864 -6.538 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -11.664 -7.671 -6.051 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -10.985 -6.138 -6.648 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -11.959 -7.161 -7.731 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -10.720 -9.829 -6.797 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -10.975 -9.409 -8.508 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -9.353 -9.867 -7.936 1.00 0.00 H new ATOM 1032 N SER A 65 -9.669 -4.796 -8.501 1.00 0.00 N ATOM 1033 CA SER A 65 -9.333 -3.417 -8.164 1.00 0.00 C ATOM 1034 C SER A 65 -9.248 -3.230 -6.654 1.00 0.00 C ATOM 1035 O SER A 65 -10.019 -3.823 -5.900 1.00 0.00 O ATOM 1036 CB SER A 65 -10.372 -2.460 -8.751 1.00 0.00 C ATOM 1037 OG SER A 65 -11.623 -3.103 -8.918 1.00 0.00 O ATOM 0 H SER A 65 -10.550 -4.905 -9.003 1.00 0.00 H new ATOM 0 HA SER A 65 -8.357 -3.192 -8.594 1.00 0.00 H new ATOM 0 HB2 SER A 65 -10.488 -1.598 -8.095 1.00 0.00 H new ATOM 0 HB3 SER A 65 -10.022 -2.084 -9.712 1.00 0.00 H new ATOM 0 HG SER A 65 -12.269 -2.469 -9.293 1.00 0.00 H new ATOM 1043 N MET A 66 -8.303 -2.403 -6.216 1.00 0.00 N ATOM 1044 CA MET A 66 -8.117 -2.140 -4.793 1.00 0.00 C ATOM 1045 C MET A 66 -8.362 -0.669 -4.469 1.00 0.00 C ATOM 1046 O MET A 66 -7.775 -0.122 -3.533 1.00 0.00 O ATOM 1047 CB MET A 66 -6.705 -2.539 -4.363 1.00 0.00 C ATOM 1048 CG MET A 66 -6.521 -4.037 -4.198 1.00 0.00 C ATOM 1049 SD MET A 66 -7.284 -4.669 -2.691 1.00 0.00 S ATOM 1050 CE MET A 66 -5.857 -5.355 -1.854 1.00 0.00 C ATOM 0 H MET A 66 -7.655 -1.904 -6.826 1.00 0.00 H new ATOM 0 HA MET A 66 -8.843 -2.738 -4.242 1.00 0.00 H new ATOM 0 HB2 MET A 66 -5.992 -2.173 -5.102 1.00 0.00 H new ATOM 0 HB3 MET A 66 -6.468 -2.046 -3.420 1.00 0.00 H new ATOM 0 HG2 MET A 66 -6.949 -4.549 -5.060 1.00 0.00 H new ATOM 0 HG3 MET A 66 -5.456 -4.269 -4.186 1.00 0.00 H new ATOM 0 HE1 MET A 66 -5.943 -6.441 -1.819 1.00 0.00 H new ATOM 0 HE2 MET A 66 -4.951 -5.080 -2.394 1.00 0.00 H new ATOM 0 HE3 MET A 66 -5.807 -4.962 -0.839 1.00 0.00 H new ATOM 1060 N ASP A 67 -9.234 -0.035 -5.248 1.00 0.00 N ATOM 1061 CA ASP A 67 -9.562 1.372 -5.045 1.00 0.00 C ATOM 1062 C ASP A 67 -10.986 1.538 -4.515 1.00 0.00 C ATOM 1063 O ASP A 67 -11.523 2.646 -4.497 1.00 0.00 O ATOM 1064 CB ASP A 67 -9.400 2.147 -6.354 1.00 0.00 C ATOM 1065 CG ASP A 67 -7.965 2.567 -6.604 1.00 0.00 C ATOM 1066 OD1 ASP A 67 -7.050 1.802 -6.233 1.00 0.00 O ATOM 1067 OD2 ASP A 67 -7.757 3.660 -7.169 1.00 0.00 O ATOM 0 H ASP A 67 -9.726 -0.474 -6.026 1.00 0.00 H new ATOM 0 HA ASP A 67 -8.873 1.773 -4.302 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -9.745 1.530 -7.184 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -10.036 3.032 -6.330 1.00 0.00 H new ATOM 1072 N ASN A 68 -11.593 0.435 -4.084 1.00 0.00 N ATOM 1073 CA ASN A 68 -12.952 0.464 -3.555 1.00 0.00 C ATOM 1074 C ASN A 68 -13.408 -0.937 -3.159 1.00 0.00 C ATOM 1075 O ASN A 68 -14.505 -1.368 -3.514 1.00 0.00 O ATOM 1076 CB ASN A 68 -13.915 1.054 -4.588 1.00 0.00 C ATOM 1077 CG ASN A 68 -14.982 1.925 -3.951 1.00 0.00 C ATOM 1078 OD1 ASN A 68 -14.729 3.077 -3.599 1.00 0.00 O ATOM 1079 ND2 ASN A 68 -16.182 1.377 -3.802 1.00 0.00 N ATOM 0 H ASN A 68 -11.164 -0.490 -4.091 1.00 0.00 H new ATOM 0 HA ASN A 68 -12.956 1.095 -2.666 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -13.352 1.644 -5.311 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -14.392 0.244 -5.140 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -16.940 1.915 -3.381 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -16.346 0.418 -4.109 1.00 0.00 H new ATOM 1086 N VAL A 69 -12.559 -1.645 -2.420 1.00 0.00 N ATOM 1087 CA VAL A 69 -12.875 -2.997 -1.975 1.00 0.00 C ATOM 1088 C VAL A 69 -12.722 -3.129 -0.464 1.00 0.00 C ATOM 1089 O VAL A 69 -11.878 -2.473 0.145 1.00 0.00 O ATOM 1090 CB VAL A 69 -11.976 -4.041 -2.664 1.00 0.00 C ATOM 1091 CG1 VAL A 69 -12.329 -4.163 -4.138 1.00 0.00 C ATOM 1092 CG2 VAL A 69 -10.508 -3.681 -2.488 1.00 0.00 C ATOM 0 H VAL A 69 -11.647 -1.304 -2.117 1.00 0.00 H new ATOM 0 HA VAL A 69 -13.913 -3.185 -2.250 1.00 0.00 H new ATOM 0 HB VAL A 69 -12.149 -5.008 -2.193 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -11.683 -4.905 -4.607 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -13.369 -4.472 -4.239 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -12.188 -3.199 -4.627 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -9.888 -4.430 -2.981 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -10.318 -2.703 -2.931 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -10.265 -3.652 -1.426 1.00 0.00 H new ATOM 1102 N GLU A 70 -13.545 -3.983 0.134 1.00 0.00 N ATOM 1103 CA GLU A 70 -13.507 -4.205 1.575 1.00 0.00 C ATOM 1104 C GLU A 70 -12.264 -4.997 1.971 1.00 0.00 C ATOM 1105 O GLU A 70 -11.754 -5.801 1.192 1.00 0.00 O ATOM 1106 CB GLU A 70 -14.766 -4.946 2.028 1.00 0.00 C ATOM 1107 CG GLU A 70 -15.049 -4.816 3.515 1.00 0.00 C ATOM 1108 CD GLU A 70 -15.671 -6.068 4.101 1.00 0.00 C ATOM 1109 OE1 GLU A 70 -16.390 -6.775 3.363 1.00 0.00 O ATOM 1110 OE2 GLU A 70 -15.440 -6.342 5.297 1.00 0.00 O ATOM 0 H GLU A 70 -14.248 -4.534 -0.358 1.00 0.00 H new ATOM 0 HA GLU A 70 -13.467 -3.234 2.068 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -15.621 -4.566 1.470 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -14.666 -6.002 1.777 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -14.120 -4.596 4.040 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -15.717 -3.971 3.682 1.00 0.00 H new ATOM 1117 N HIS A 71 -11.784 -4.765 3.189 1.00 0.00 N ATOM 1118 CA HIS A 71 -10.602 -5.456 3.694 1.00 0.00 C ATOM 1119 C HIS A 71 -10.756 -6.970 3.569 1.00 0.00 C ATOM 1120 O HIS A 71 -9.815 -7.670 3.198 1.00 0.00 O ATOM 1121 CB HIS A 71 -10.352 -5.076 5.155 1.00 0.00 C ATOM 1122 CG HIS A 71 -9.051 -5.584 5.693 1.00 0.00 C ATOM 1123 ND1 HIS A 71 -7.837 -5.336 5.087 1.00 0.00 N ATOM 1124 CD2 HIS A 71 -8.777 -6.328 6.791 1.00 0.00 C ATOM 1125 CE1 HIS A 71 -6.872 -5.906 5.788 1.00 0.00 C ATOM 1126 NE2 HIS A 71 -7.416 -6.513 6.827 1.00 0.00 N ATOM 0 H HIS A 71 -12.196 -4.102 3.846 1.00 0.00 H new ATOM 0 HA HIS A 71 -9.747 -5.148 3.092 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -10.375 -3.990 5.248 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -11.165 -5.466 5.767 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -9.494 -6.705 7.505 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -5.819 -5.880 5.551 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -6.908 -7.035 7.541 1.00 0.00 H new ATOM 1135 N ALA A 72 -11.950 -7.466 3.880 1.00 0.00 N ATOM 1136 CA ALA A 72 -12.228 -8.894 3.801 1.00 0.00 C ATOM 1137 C ALA A 72 -12.251 -9.371 2.353 1.00 0.00 C ATOM 1138 O ALA A 72 -11.816 -10.481 2.046 1.00 0.00 O ATOM 1139 CB ALA A 72 -13.549 -9.212 4.484 1.00 0.00 C ATOM 0 H ALA A 72 -12.740 -6.899 4.189 1.00 0.00 H new ATOM 0 HA ALA A 72 -11.427 -9.424 4.317 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -13.745 -10.282 4.418 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -13.497 -8.917 5.532 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -14.354 -8.665 3.993 1.00 0.00 H new ATOM 1145 N PHE A 73 -12.760 -8.523 1.466 1.00 0.00 N ATOM 1146 CA PHE A 73 -12.841 -8.855 0.048 1.00 0.00 C ATOM 1147 C PHE A 73 -11.455 -8.856 -0.591 1.00 0.00 C ATOM 1148 O PHE A 73 -11.154 -9.689 -1.445 1.00 0.00 O ATOM 1149 CB PHE A 73 -13.750 -7.861 -0.678 1.00 0.00 C ATOM 1150 CG PHE A 73 -15.116 -8.409 -0.985 1.00 0.00 C ATOM 1151 CD1 PHE A 73 -16.120 -8.375 -0.031 1.00 0.00 C ATOM 1152 CD2 PHE A 73 -15.393 -8.958 -2.227 1.00 0.00 C ATOM 1153 CE1 PHE A 73 -17.377 -8.878 -0.311 1.00 0.00 C ATOM 1154 CE2 PHE A 73 -16.649 -9.462 -2.512 1.00 0.00 C ATOM 1155 CZ PHE A 73 -17.641 -9.421 -1.552 1.00 0.00 C ATOM 0 H PHE A 73 -13.123 -7.600 1.704 1.00 0.00 H new ATOM 0 HA PHE A 73 -13.263 -9.856 -0.042 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -13.856 -6.965 -0.067 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -13.272 -7.557 -1.609 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -15.919 -7.951 0.942 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -14.620 -8.993 -2.980 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -18.152 -8.846 0.441 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -16.854 -9.887 -3.484 1.00 0.00 H new ATOM 0 HZ PHE A 73 -18.623 -9.814 -1.772 1.00 0.00 H new ATOM 1165 N ALA A 74 -10.618 -7.915 -0.170 1.00 0.00 N ATOM 1166 CA ALA A 74 -9.265 -7.802 -0.701 1.00 0.00 C ATOM 1167 C ALA A 74 -8.366 -8.915 -0.171 1.00 0.00 C ATOM 1168 O ALA A 74 -7.542 -9.462 -0.904 1.00 0.00 O ATOM 1169 CB ALA A 74 -8.678 -6.442 -0.359 1.00 0.00 C ATOM 0 H ALA A 74 -10.853 -7.219 0.538 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.320 -7.903 -1.785 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -7.667 -6.370 -0.761 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.298 -5.658 -0.794 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.647 -6.321 0.724 1.00 0.00 H new ATOM 1175 N VAL A 75 -8.523 -9.241 1.107 1.00 0.00 N ATOM 1176 CA VAL A 75 -7.720 -10.283 1.735 1.00 0.00 C ATOM 1177 C VAL A 75 -8.124 -11.672 1.245 1.00 0.00 C ATOM 1178 O VAL A 75 -7.270 -12.506 0.946 1.00 0.00 O ATOM 1179 CB VAL A 75 -7.836 -10.233 3.272 1.00 0.00 C ATOM 1180 CG1 VAL A 75 -9.267 -10.499 3.713 1.00 0.00 C ATOM 1181 CG2 VAL A 75 -6.878 -11.225 3.916 1.00 0.00 C ATOM 0 H VAL A 75 -9.200 -8.798 1.729 1.00 0.00 H new ATOM 0 HA VAL A 75 -6.685 -10.094 1.450 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.561 -9.232 3.603 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -9.326 -10.459 4.801 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -9.926 -9.743 3.286 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -9.576 -11.486 3.369 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -6.976 -11.174 5.000 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.116 -12.233 3.577 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.855 -10.979 3.632 1.00 0.00 H new ATOM 1191 N GLN A 76 -9.428 -11.917 1.169 1.00 0.00 N ATOM 1192 CA GLN A 76 -9.934 -13.209 0.719 1.00 0.00 C ATOM 1193 C GLN A 76 -9.545 -13.480 -0.733 1.00 0.00 C ATOM 1194 O GLN A 76 -9.460 -14.633 -1.156 1.00 0.00 O ATOM 1195 CB GLN A 76 -11.457 -13.266 0.872 1.00 0.00 C ATOM 1196 CG GLN A 76 -12.203 -12.337 -0.074 1.00 0.00 C ATOM 1197 CD GLN A 76 -13.029 -13.088 -1.100 1.00 0.00 C ATOM 1198 OE1 GLN A 76 -12.406 -13.444 -2.217 1.00 0.00 O flip ATOM 1199 NE2 GLN A 76 -14.215 -13.345 -0.892 1.00 0.00 N flip ATOM 0 H GLN A 76 -10.152 -11.240 1.412 1.00 0.00 H new ATOM 0 HA GLN A 76 -9.482 -13.981 1.342 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -11.792 -14.289 0.701 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -11.720 -13.012 1.899 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -12.856 -11.684 0.505 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -11.486 -11.697 -0.588 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -14.655 -13.053 -0.019 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -14.758 -13.850 -1.592 1.00 0.00 H new ATOM 1208 N GLN A 77 -9.312 -12.413 -1.492 1.00 0.00 N ATOM 1209 CA GLN A 77 -8.936 -12.543 -2.897 1.00 0.00 C ATOM 1210 C GLN A 77 -7.508 -13.062 -3.040 1.00 0.00 C ATOM 1211 O GLN A 77 -7.255 -14.011 -3.782 1.00 0.00 O ATOM 1212 CB GLN A 77 -9.077 -11.197 -3.610 1.00 0.00 C ATOM 1213 CG GLN A 77 -10.395 -11.034 -4.348 1.00 0.00 C ATOM 1214 CD GLN A 77 -10.551 -12.024 -5.486 1.00 0.00 C ATOM 1215 OE1 GLN A 77 -9.697 -11.904 -6.497 1.00 0.00 O flip ATOM 1216 NE2 GLN A 77 -11.427 -12.888 -5.457 1.00 0.00 N flip ATOM 0 H GLN A 77 -9.377 -11.451 -1.159 1.00 0.00 H new ATOM 0 HA GLN A 77 -9.609 -13.265 -3.359 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -8.979 -10.396 -2.878 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -8.257 -11.083 -4.319 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -11.219 -11.160 -3.646 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -10.464 -10.020 -4.741 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -12.062 -12.944 -4.661 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -11.518 -13.548 -6.229 1.00 0.00 H new ATOM 1225 N LEU A 78 -6.577 -12.431 -2.330 1.00 0.00 N ATOM 1226 CA LEU A 78 -5.175 -12.831 -2.386 1.00 0.00 C ATOM 1227 C LEU A 78 -4.950 -14.155 -1.660 1.00 0.00 C ATOM 1228 O LEU A 78 -4.069 -14.932 -2.025 1.00 0.00 O ATOM 1229 CB LEU A 78 -4.283 -11.744 -1.782 1.00 0.00 C ATOM 1230 CG LEU A 78 -4.638 -11.331 -0.352 1.00 0.00 C ATOM 1231 CD1 LEU A 78 -3.868 -12.172 0.654 1.00 0.00 C ATOM 1232 CD2 LEU A 78 -4.355 -9.849 -0.139 1.00 0.00 C ATOM 0 H LEU A 78 -6.768 -11.643 -1.711 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.909 -12.966 -3.434 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -3.251 -12.094 -1.797 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -4.330 -10.862 -2.420 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.703 -11.503 -0.199 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -4.134 -11.864 1.665 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -4.120 -13.224 0.517 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.798 -12.032 0.502 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.613 -9.573 0.883 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.297 -9.652 -0.312 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.952 -9.261 -0.836 1.00 0.00 H new ATOM 1244 N ARG A 79 -5.754 -14.407 -0.631 1.00 0.00 N ATOM 1245 CA ARG A 79 -5.639 -15.639 0.142 1.00 0.00 C ATOM 1246 C ARG A 79 -5.932 -16.858 -0.727 1.00 0.00 C ATOM 1247 O ARG A 79 -5.435 -17.953 -0.465 1.00 0.00 O ATOM 1248 CB ARG A 79 -6.594 -15.611 1.337 1.00 0.00 C ATOM 1249 CG ARG A 79 -6.029 -16.273 2.583 1.00 0.00 C ATOM 1250 CD ARG A 79 -7.117 -16.961 3.392 1.00 0.00 C ATOM 1251 NE ARG A 79 -6.717 -17.172 4.781 1.00 0.00 N ATOM 1252 CZ ARG A 79 -6.724 -16.217 5.709 1.00 0.00 C ATOM 1253 NH1 ARG A 79 -7.110 -14.986 5.399 1.00 0.00 N ATOM 1254 NH2 ARG A 79 -6.344 -16.494 6.949 1.00 0.00 N ATOM 0 H ARG A 79 -6.490 -13.776 -0.314 1.00 0.00 H new ATOM 0 HA ARG A 79 -4.614 -15.712 0.507 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -6.844 -14.575 1.568 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -7.523 -16.109 1.061 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -5.271 -17.002 2.297 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -5.533 -15.524 3.201 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -8.025 -16.359 3.364 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -7.357 -17.921 2.934 1.00 0.00 H new ATOM 0 HE ARG A 79 -6.414 -18.106 5.056 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -7.403 -14.768 4.447 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -7.114 -14.258 6.113 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -6.046 -17.439 7.192 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -6.349 -15.762 7.660 1.00 0.00 H new ATOM 1268 N LYS A 80 -6.743 -16.662 -1.763 1.00 0.00 N ATOM 1269 CA LYS A 80 -7.101 -17.746 -2.669 1.00 0.00 C ATOM 1270 C LYS A 80 -5.876 -18.271 -3.413 1.00 0.00 C ATOM 1271 O LYS A 80 -5.850 -19.421 -3.850 1.00 0.00 O ATOM 1272 CB LYS A 80 -8.157 -17.273 -3.671 1.00 0.00 C ATOM 1273 CG LYS A 80 -9.582 -17.604 -3.254 1.00 0.00 C ATOM 1274 CD LYS A 80 -10.416 -18.069 -4.437 1.00 0.00 C ATOM 1275 CE LYS A 80 -10.630 -19.574 -4.411 1.00 0.00 C ATOM 1276 NZ LYS A 80 -9.604 -20.296 -5.213 1.00 0.00 N ATOM 0 H LYS A 80 -7.164 -15.762 -1.995 1.00 0.00 H new ATOM 0 HA LYS A 80 -7.512 -18.560 -2.072 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -8.066 -16.195 -3.800 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -7.956 -17.728 -4.641 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -9.567 -18.381 -2.490 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -10.044 -16.725 -2.805 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -11.381 -17.563 -4.424 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -9.921 -17.787 -5.366 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -10.599 -19.927 -3.380 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -11.622 -19.806 -4.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -9.786 -21.319 -5.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -9.650 -19.978 -6.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -8.659 -20.096 -4.829 1.00 0.00 H new ATOM 1290 N SER A 81 -4.861 -17.421 -3.557 1.00 0.00 N ATOM 1291 CA SER A 81 -3.636 -17.804 -4.251 1.00 0.00 C ATOM 1292 C SER A 81 -3.049 -19.086 -3.663 1.00 0.00 C ATOM 1293 O SER A 81 -3.247 -20.173 -4.205 1.00 0.00 O ATOM 1294 CB SER A 81 -2.607 -16.671 -4.176 1.00 0.00 C ATOM 1295 OG SER A 81 -2.952 -15.611 -5.050 1.00 0.00 O ATOM 0 H SER A 81 -4.864 -16.465 -3.203 1.00 0.00 H new ATOM 0 HA SER A 81 -3.884 -17.991 -5.296 1.00 0.00 H new ATOM 0 HB2 SER A 81 -2.546 -16.298 -3.154 1.00 0.00 H new ATOM 0 HB3 SER A 81 -1.620 -17.054 -4.435 1.00 0.00 H new ATOM 0 HG SER A 81 -2.473 -15.717 -5.898 1.00 0.00 H new ATOM 1301 N GLY A 82 -2.327 -18.953 -2.554 1.00 0.00 N ATOM 1302 CA GLY A 82 -1.728 -20.110 -1.916 1.00 0.00 C ATOM 1303 C GLY A 82 -0.293 -20.340 -2.350 1.00 0.00 C ATOM 1304 O GLY A 82 0.508 -20.896 -1.598 1.00 0.00 O ATOM 0 H GLY A 82 -2.147 -18.065 -2.087 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -1.760 -19.980 -0.834 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -2.320 -20.995 -2.149 1.00 0.00 H new ATOM 1308 N LYS A 83 0.034 -19.914 -3.567 1.00 0.00 N ATOM 1309 CA LYS A 83 1.384 -20.078 -4.097 1.00 0.00 C ATOM 1310 C LYS A 83 1.583 -19.231 -5.350 1.00 0.00 C ATOM 1311 O LYS A 83 2.357 -19.588 -6.237 1.00 0.00 O ATOM 1312 CB LYS A 83 1.653 -21.550 -4.416 1.00 0.00 C ATOM 1313 CG LYS A 83 0.699 -22.134 -5.446 1.00 0.00 C ATOM 1314 CD LYS A 83 1.440 -22.942 -6.500 1.00 0.00 C ATOM 1315 CE LYS A 83 1.767 -24.343 -6.005 1.00 0.00 C ATOM 1316 NZ LYS A 83 1.157 -25.393 -6.868 1.00 0.00 N ATOM 0 H LYS A 83 -0.616 -19.453 -4.204 1.00 0.00 H new ATOM 0 HA LYS A 83 2.089 -19.742 -3.337 1.00 0.00 H new ATOM 0 HB2 LYS A 83 2.675 -21.653 -4.780 1.00 0.00 H new ATOM 0 HB3 LYS A 83 1.582 -22.131 -3.497 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.032 -22.770 -4.947 1.00 0.00 H new ATOM 0 HG3 LYS A 83 0.145 -21.328 -5.927 1.00 0.00 H new ATOM 0 HD2 LYS A 83 0.833 -23.007 -7.403 1.00 0.00 H new ATOM 0 HD3 LYS A 83 2.362 -22.427 -6.772 1.00 0.00 H new ATOM 0 HE2 LYS A 83 2.849 -24.476 -5.981 1.00 0.00 H new ATOM 0 HE3 LYS A 83 1.408 -24.460 -4.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 1.403 -26.333 -6.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 0.123 -25.282 -6.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 1.519 -25.298 -7.838 1.00 0.00 H new ATOM 1330 N ASN A 84 0.879 -18.105 -5.412 1.00 0.00 N ATOM 1331 CA ASN A 84 0.972 -17.200 -6.553 1.00 0.00 C ATOM 1332 C ASN A 84 -0.016 -16.049 -6.400 1.00 0.00 C ATOM 1333 O ASN A 84 -1.097 -16.062 -6.987 1.00 0.00 O ATOM 1334 CB ASN A 84 0.706 -17.953 -7.861 1.00 0.00 C ATOM 1335 CG ASN A 84 1.755 -17.665 -8.917 1.00 0.00 C ATOM 1336 OD1 ASN A 84 2.902 -17.352 -8.599 1.00 0.00 O ATOM 1337 ND2 ASN A 84 1.365 -17.769 -10.182 1.00 0.00 N ATOM 0 H ASN A 84 0.236 -17.797 -4.683 1.00 0.00 H new ATOM 0 HA ASN A 84 1.983 -16.793 -6.586 1.00 0.00 H new ATOM 0 HB2 ASN A 84 0.680 -19.024 -7.661 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -0.276 -17.676 -8.243 1.00 0.00 H new ATOM 0 HD21 ASN A 84 2.027 -17.586 -10.936 1.00 0.00 H new ATOM 0 HD22 ASN A 84 0.404 -18.031 -10.399 1.00 0.00 H new ATOM 1344 N ALA A 85 0.362 -15.054 -5.604 1.00 0.00 N ATOM 1345 CA ALA A 85 -0.492 -13.897 -5.372 1.00 0.00 C ATOM 1346 C ALA A 85 0.122 -12.637 -5.968 1.00 0.00 C ATOM 1347 O ALA A 85 1.154 -12.156 -5.498 1.00 0.00 O ATOM 1348 CB ALA A 85 -0.738 -13.712 -3.882 1.00 0.00 C ATOM 0 H ALA A 85 1.254 -15.027 -5.110 1.00 0.00 H new ATOM 0 HA ALA A 85 -1.447 -14.075 -5.867 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -1.378 -12.844 -3.724 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -1.226 -14.600 -3.481 1.00 0.00 H new ATOM 0 HB3 ALA A 85 0.213 -13.559 -3.372 1.00 0.00 H new ATOM 1354 N LYS A 86 -0.513 -12.106 -7.007 1.00 0.00 N ATOM 1355 CA LYS A 86 -0.020 -10.903 -7.663 1.00 0.00 C ATOM 1356 C LYS A 86 -0.638 -9.652 -7.045 1.00 0.00 C ATOM 1357 O LYS A 86 -1.831 -9.620 -6.742 1.00 0.00 O ATOM 1358 CB LYS A 86 -0.310 -10.956 -9.167 1.00 0.00 C ATOM 1359 CG LYS A 86 -1.732 -10.559 -9.536 1.00 0.00 C ATOM 1360 CD LYS A 86 -2.149 -11.148 -10.875 1.00 0.00 C ATOM 1361 CE LYS A 86 -2.754 -10.092 -11.788 1.00 0.00 C ATOM 1362 NZ LYS A 86 -4.033 -10.552 -12.397 1.00 0.00 N ATOM 0 H LYS A 86 -1.368 -12.489 -7.411 1.00 0.00 H new ATOM 0 HA LYS A 86 1.059 -10.856 -7.517 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.387 -10.297 -9.685 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -0.120 -11.967 -9.528 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -2.418 -10.898 -8.760 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -1.808 -9.472 -9.576 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -1.283 -11.597 -11.361 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.873 -11.947 -10.712 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.930 -9.179 -11.220 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.044 -9.845 -12.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.413 -9.804 -13.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.861 -11.409 -12.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -4.719 -10.764 -11.645 1.00 0.00 H new ATOM 1376 N ILE A 87 0.183 -8.624 -6.866 1.00 0.00 N ATOM 1377 CA ILE A 87 -0.279 -7.370 -6.288 1.00 0.00 C ATOM 1378 C ILE A 87 0.134 -6.187 -7.154 1.00 0.00 C ATOM 1379 O ILE A 87 1.303 -6.043 -7.511 1.00 0.00 O ATOM 1380 CB ILE A 87 0.276 -7.167 -4.865 1.00 0.00 C ATOM 1381 CG1 ILE A 87 0.062 -8.428 -4.025 1.00 0.00 C ATOM 1382 CG2 ILE A 87 -0.386 -5.967 -4.206 1.00 0.00 C ATOM 1383 CD1 ILE A 87 0.951 -8.498 -2.803 1.00 0.00 C ATOM 0 H ILE A 87 1.173 -8.635 -7.113 1.00 0.00 H new ATOM 0 HA ILE A 87 -1.367 -7.424 -6.240 1.00 0.00 H new ATOM 0 HB ILE A 87 1.347 -6.976 -4.932 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -0.980 -8.472 -3.709 1.00 0.00 H new ATOM 0 HG13 ILE A 87 0.244 -9.304 -4.647 1.00 0.00 H new ATOM 0 HG21 ILE A 87 0.016 -5.836 -3.201 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -0.187 -5.072 -4.796 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -1.462 -6.132 -4.148 1.00 0.00 H new ATOM 0 HD11 ILE A 87 0.745 -9.418 -2.255 1.00 0.00 H new ATOM 0 HD12 ILE A 87 1.996 -8.486 -3.112 1.00 0.00 H new ATOM 0 HD13 ILE A 87 0.753 -7.641 -2.160 1.00 0.00 H new ATOM 1395 N THR A 88 -0.834 -5.343 -7.492 1.00 0.00 N ATOM 1396 CA THR A 88 -0.571 -4.172 -8.318 1.00 0.00 C ATOM 1397 C THR A 88 -0.416 -2.924 -7.455 1.00 0.00 C ATOM 1398 O THR A 88 -1.262 -2.632 -6.609 1.00 0.00 O ATOM 1399 CB THR A 88 -1.699 -3.974 -9.331 1.00 0.00 C ATOM 1400 OG1 THR A 88 -2.054 -5.208 -9.932 1.00 0.00 O ATOM 1401 CG2 THR A 88 -1.344 -3.009 -10.440 1.00 0.00 C ATOM 0 H THR A 88 -1.808 -5.448 -7.207 1.00 0.00 H new ATOM 0 HA THR A 88 0.363 -4.337 -8.856 1.00 0.00 H new ATOM 0 HB THR A 88 -2.530 -3.558 -8.762 1.00 0.00 H new ATOM 0 HG1 THR A 88 -2.526 -5.038 -10.774 1.00 0.00 H new ATOM 0 HG21 THR A 88 -2.188 -2.914 -11.124 1.00 0.00 H new ATOM 0 HG22 THR A 88 -1.112 -2.033 -10.013 1.00 0.00 H new ATOM 0 HG23 THR A 88 -0.477 -3.383 -10.984 1.00 0.00 H new ATOM 1409 N ILE A 89 0.672 -2.194 -7.673 1.00 0.00 N ATOM 1410 CA ILE A 89 0.941 -0.979 -6.912 1.00 0.00 C ATOM 1411 C ILE A 89 1.503 0.117 -7.809 1.00 0.00 C ATOM 1412 O ILE A 89 1.905 -0.142 -8.943 1.00 0.00 O ATOM 1413 CB ILE A 89 1.935 -1.244 -5.767 1.00 0.00 C ATOM 1414 CG1 ILE A 89 3.151 -2.014 -6.286 1.00 0.00 C ATOM 1415 CG2 ILE A 89 1.256 -2.010 -4.640 1.00 0.00 C ATOM 1416 CD1 ILE A 89 4.118 -1.156 -7.073 1.00 0.00 C ATOM 0 H ILE A 89 1.381 -2.422 -8.370 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.010 -0.652 -6.492 1.00 0.00 H new ATOM 0 HB ILE A 89 2.276 -0.286 -5.373 1.00 0.00 H new ATOM 0 HG12 ILE A 89 3.677 -2.459 -5.441 1.00 0.00 H new ATOM 0 HG13 ILE A 89 2.809 -2.835 -6.917 1.00 0.00 H new ATOM 0 HG21 ILE A 89 1.973 -2.189 -3.838 1.00 0.00 H new ATOM 0 HG22 ILE A 89 0.420 -1.426 -4.255 1.00 0.00 H new ATOM 0 HG23 ILE A 89 0.889 -2.964 -5.018 1.00 0.00 H new ATOM 0 HD11 ILE A 89 4.955 -1.767 -7.410 1.00 0.00 H new ATOM 0 HD12 ILE A 89 3.607 -0.732 -7.938 1.00 0.00 H new ATOM 0 HD13 ILE A 89 4.489 -0.350 -6.439 1.00 0.00 H new ATOM 1428 N ARG A 90 1.528 1.343 -7.295 1.00 0.00 N ATOM 1429 CA ARG A 90 2.043 2.474 -8.058 1.00 0.00 C ATOM 1430 C ARG A 90 2.982 3.327 -7.215 1.00 0.00 C ATOM 1431 O ARG A 90 2.826 3.429 -5.998 1.00 0.00 O ATOM 1432 CB ARG A 90 0.893 3.334 -8.591 1.00 0.00 C ATOM 1433 CG ARG A 90 -0.227 2.530 -9.225 1.00 0.00 C ATOM 1434 CD ARG A 90 -1.513 2.629 -8.422 1.00 0.00 C ATOM 1435 NE ARG A 90 -2.054 3.986 -8.420 1.00 0.00 N ATOM 1436 CZ ARG A 90 -2.860 4.463 -7.473 1.00 0.00 C ATOM 1437 NH1 ARG A 90 -3.223 3.699 -6.450 1.00 0.00 N ATOM 1438 NH2 ARG A 90 -3.305 5.711 -7.549 1.00 0.00 N ATOM 0 H ARG A 90 1.199 1.578 -6.358 1.00 0.00 H new ATOM 0 HA ARG A 90 2.607 2.074 -8.901 1.00 0.00 H new ATOM 0 HB2 ARG A 90 0.485 3.927 -7.772 1.00 0.00 H new ATOM 0 HB3 ARG A 90 1.286 4.035 -9.327 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -0.403 2.888 -10.239 1.00 0.00 H new ATOM 0 HG3 ARG A 90 0.074 1.485 -9.303 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -2.253 1.944 -8.837 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -1.325 2.312 -7.396 1.00 0.00 H new ATOM 0 HE ARG A 90 -1.799 4.605 -9.190 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -2.884 2.739 -6.385 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -3.841 4.072 -5.729 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -3.030 6.304 -8.332 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -3.922 6.077 -6.824 1.00 0.00 H new ATOM 1452 N ARG A 91 3.961 3.939 -7.877 1.00 0.00 N ATOM 1453 CA ARG A 91 4.934 4.787 -7.201 1.00 0.00 C ATOM 1454 C ARG A 91 5.374 5.934 -8.105 1.00 0.00 C ATOM 1455 O ARG A 91 5.293 5.838 -9.330 1.00 0.00 O ATOM 1456 CB ARG A 91 6.151 3.963 -6.779 1.00 0.00 C ATOM 1457 CG ARG A 91 6.816 3.225 -7.931 1.00 0.00 C ATOM 1458 CD ARG A 91 6.146 1.886 -8.200 1.00 0.00 C ATOM 1459 NE ARG A 91 6.876 1.100 -9.191 1.00 0.00 N ATOM 1460 CZ ARG A 91 7.975 0.400 -8.921 1.00 0.00 C ATOM 1461 NH1 ARG A 91 8.472 0.382 -7.690 1.00 0.00 N ATOM 1462 NH2 ARG A 91 8.577 -0.286 -9.883 1.00 0.00 N ATOM 0 H ARG A 91 4.100 3.862 -8.885 1.00 0.00 H new ATOM 0 HA ARG A 91 4.460 5.206 -6.313 1.00 0.00 H new ATOM 0 HB2 ARG A 91 6.882 4.623 -6.311 1.00 0.00 H new ATOM 0 HB3 ARG A 91 5.845 3.239 -6.023 1.00 0.00 H new ATOM 0 HG2 ARG A 91 6.775 3.840 -8.830 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.870 3.066 -7.702 1.00 0.00 H new ATOM 0 HD2 ARG A 91 6.076 1.322 -7.270 1.00 0.00 H new ATOM 0 HD3 ARG A 91 5.127 2.054 -8.549 1.00 0.00 H new ATOM 0 HE ARG A 91 6.522 1.087 -10.148 1.00 0.00 H new ATOM 0 HH11 ARG A 91 8.011 0.906 -6.946 1.00 0.00 H new ATOM 0 HH12 ARG A 91 9.315 -0.156 -7.488 1.00 0.00 H new ATOM 0 HH21 ARG A 91 8.198 -0.277 -10.830 1.00 0.00 H new ATOM 0 HH22 ARG A 91 9.419 -0.823 -9.676 1.00 0.00 H new