USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=11 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 62 ASN : amide:sc= -0.196 X(o=0.99,f=0.89) USER MOD Set 1.2: A 81 SER OG : rot -119:sc= 1.19 USER MOD Set 2.1: A 53 GLN : amide:sc= -0.31 X(o=-0.47,f=-0.19) USER MOD Set 2.2: A 55 ASN : amide:sc= -0.164 X(o=-0.47,f=-0.19) USER MOD Set 3.1: A 22 SER OG : rot 126:sc= 0.886 USER MOD Set 3.2: A 40 SER OG : rot -170:sc= 0.738 USER MOD Set 4.1: A 6 THR OG1 : rot 96:sc= 0.0454 USER MOD Set 4.2: A 88 THR OG1 : rot -160:sc= -0.708 USER MOD Single : A 4 GLN : amide:sc= -0.0851 K(o=-0.085,f=-3.7!) USER MOD Single : A 5 HIS : no HD1:sc= -2.39 X(o=-2.4,f=-2.8) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= -2.05 X(o=-2.1,f=-2.1) USER MOD Single : A 36 SER OG : rot -32:sc=-0.00702 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.206 K(o=-0.21,f=-5.9!) USER MOD Single : A 60 MET CE :methyl -148:sc= -0.0331 (180deg=-1.26) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl -144:sc= -8.2! (180deg=-10.4!) USER MOD Single : A 68 ASN : amide:sc= 0.122 X(o=0.12,f=-0.07) USER MOD Single : A 71 HIS : no HD1:sc= -1.98 X(o=-2,f=-1.9) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 GLN : amide:sc= -2.33 K(o=-2.3,f=-4.8!) USER MOD Single : A 80 LYS NZ :NH3+ -162:sc= -0.0049 (180deg=-0.0994) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= -1.25 K(o=-1.2,f=-4.5!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 134 N GLU A 3 3.216 5.672 -11.830 1.00 0.00 N ATOM 135 CA GLU A 3 2.956 4.593 -12.777 1.00 0.00 C ATOM 136 C GLU A 3 2.417 3.366 -12.050 1.00 0.00 C ATOM 137 O GLU A 3 2.675 3.177 -10.863 1.00 0.00 O ATOM 138 CB GLU A 3 4.233 4.232 -13.539 1.00 0.00 C ATOM 139 CG GLU A 3 5.377 3.791 -12.641 1.00 0.00 C ATOM 140 CD GLU A 3 6.729 3.910 -13.316 1.00 0.00 C ATOM 141 OE1 GLU A 3 6.831 4.658 -14.311 1.00 0.00 O ATOM 142 OE2 GLU A 3 7.685 3.256 -12.849 1.00 0.00 O ATOM 0 HA GLU A 3 2.207 4.935 -13.491 1.00 0.00 H new ATOM 0 HB2 GLU A 3 4.010 3.433 -14.246 1.00 0.00 H new ATOM 0 HB3 GLU A 3 4.553 5.095 -14.123 1.00 0.00 H new ATOM 0 HG2 GLU A 3 5.374 4.394 -11.733 1.00 0.00 H new ATOM 0 HG3 GLU A 3 5.217 2.757 -12.337 1.00 0.00 H new ATOM 149 N GLN A 4 1.662 2.537 -12.763 1.00 0.00 N ATOM 150 CA GLN A 4 1.084 1.335 -12.172 1.00 0.00 C ATOM 151 C GLN A 4 1.792 0.080 -12.674 1.00 0.00 C ATOM 152 O GLN A 4 1.923 -0.132 -13.879 1.00 0.00 O ATOM 153 CB GLN A 4 -0.409 1.253 -12.492 1.00 0.00 C ATOM 154 CG GLN A 4 -1.214 0.496 -11.447 1.00 0.00 C ATOM 155 CD GLN A 4 -2.682 0.387 -11.809 1.00 0.00 C ATOM 156 OE1 GLN A 4 -3.227 -0.712 -11.921 1.00 0.00 O ATOM 157 NE2 GLN A 4 -3.333 1.530 -11.995 1.00 0.00 N ATOM 0 H GLN A 4 1.436 2.675 -13.748 1.00 0.00 H new ATOM 0 HA GLN A 4 1.217 1.395 -11.092 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -0.808 2.263 -12.585 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -0.539 0.769 -13.460 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -0.798 -0.504 -11.327 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -1.117 0.999 -10.485 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -2.843 2.419 -11.892 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -4.323 1.519 -12.241 1.00 0.00 H new ATOM 166 N HIS A 5 2.244 -0.750 -11.737 1.00 0.00 N ATOM 167 CA HIS A 5 2.936 -1.988 -12.078 1.00 0.00 C ATOM 168 C HIS A 5 2.350 -3.168 -11.310 1.00 0.00 C ATOM 169 O HIS A 5 2.043 -3.058 -10.123 1.00 0.00 O ATOM 170 CB HIS A 5 4.430 -1.862 -11.778 1.00 0.00 C ATOM 171 CG HIS A 5 5.167 -0.998 -12.754 1.00 0.00 C ATOM 172 ND1 HIS A 5 4.865 0.332 -12.960 1.00 0.00 N ATOM 173 CD2 HIS A 5 6.198 -1.280 -13.586 1.00 0.00 C ATOM 174 CE1 HIS A 5 5.677 0.830 -13.876 1.00 0.00 C ATOM 175 NE2 HIS A 5 6.495 -0.128 -14.271 1.00 0.00 N ATOM 0 H HIS A 5 2.143 -0.587 -10.735 1.00 0.00 H new ATOM 0 HA HIS A 5 2.801 -2.168 -13.145 1.00 0.00 H new ATOM 0 HB2 HIS A 5 4.557 -1.453 -10.776 1.00 0.00 H new ATOM 0 HB3 HIS A 5 4.877 -2.856 -11.776 1.00 0.00 H new ATOM 0 HD2 HIS A 5 6.694 -2.234 -13.691 1.00 0.00 H new ATOM 0 HE1 HIS A 5 5.672 1.847 -14.239 1.00 0.00 H new ATOM 0 HE2 HIS A 5 7.229 -0.028 -14.972 1.00 0.00 H new ATOM 184 N THR A 6 2.197 -4.296 -11.998 1.00 0.00 N ATOM 185 CA THR A 6 1.646 -5.499 -11.381 1.00 0.00 C ATOM 186 C THR A 6 2.683 -6.617 -11.346 1.00 0.00 C ATOM 187 O THR A 6 3.136 -7.091 -12.388 1.00 0.00 O ATOM 188 CB THR A 6 0.404 -5.964 -12.143 1.00 0.00 C ATOM 189 OG1 THR A 6 -0.134 -7.136 -11.555 1.00 0.00 O ATOM 190 CG2 THR A 6 0.673 -6.263 -13.602 1.00 0.00 C ATOM 0 H THR A 6 2.446 -4.402 -12.981 1.00 0.00 H new ATOM 0 HA THR A 6 1.366 -5.256 -10.356 1.00 0.00 H new ATOM 0 HB THR A 6 -0.299 -5.133 -12.084 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.857 -6.891 -10.940 1.00 0.00 H new ATOM 0 HG21 THR A 6 -0.250 -6.588 -14.083 1.00 0.00 H new ATOM 0 HG22 THR A 6 1.043 -5.364 -14.095 1.00 0.00 H new ATOM 0 HG23 THR A 6 1.420 -7.053 -13.680 1.00 0.00 H new ATOM 198 N VAL A 7 3.054 -7.036 -10.140 1.00 0.00 N ATOM 199 CA VAL A 7 4.037 -8.100 -9.968 1.00 0.00 C ATOM 200 C VAL A 7 3.431 -9.299 -9.247 1.00 0.00 C ATOM 201 O VAL A 7 2.520 -9.152 -8.430 1.00 0.00 O ATOM 202 CB VAL A 7 5.266 -7.609 -9.180 1.00 0.00 C ATOM 203 CG1 VAL A 7 6.345 -8.681 -9.147 1.00 0.00 C ATOM 204 CG2 VAL A 7 5.807 -6.318 -9.780 1.00 0.00 C ATOM 0 H VAL A 7 2.689 -6.655 -9.267 1.00 0.00 H new ATOM 0 HA VAL A 7 4.352 -8.402 -10.967 1.00 0.00 H new ATOM 0 HB VAL A 7 4.957 -7.405 -8.155 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.205 -8.315 -8.586 1.00 0.00 H new ATOM 0 HG12 VAL A 7 5.953 -9.577 -8.666 1.00 0.00 H new ATOM 0 HG13 VAL A 7 6.652 -8.920 -10.165 1.00 0.00 H new ATOM 0 HG21 VAL A 7 6.675 -5.987 -9.209 1.00 0.00 H new ATOM 0 HG22 VAL A 7 6.099 -6.492 -10.816 1.00 0.00 H new ATOM 0 HG23 VAL A 7 5.035 -5.549 -9.745 1.00 0.00 H new ATOM 214 N THR A 8 3.944 -10.487 -9.554 1.00 0.00 N ATOM 215 CA THR A 8 3.457 -11.717 -8.938 1.00 0.00 C ATOM 216 C THR A 8 4.415 -12.199 -7.853 1.00 0.00 C ATOM 217 O THR A 8 5.578 -12.494 -8.126 1.00 0.00 O ATOM 218 CB THR A 8 3.279 -12.805 -9.997 1.00 0.00 C ATOM 219 OG1 THR A 8 2.681 -12.274 -11.166 1.00 0.00 O ATOM 220 CG2 THR A 8 2.422 -13.961 -9.528 1.00 0.00 C ATOM 0 H THR A 8 4.698 -10.624 -10.227 1.00 0.00 H new ATOM 0 HA THR A 8 2.492 -11.506 -8.477 1.00 0.00 H new ATOM 0 HB THR A 8 4.283 -13.177 -10.201 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.577 -12.985 -11.832 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.336 -14.698 -10.327 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.882 -14.424 -8.655 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.430 -13.595 -9.264 1.00 0.00 H new ATOM 228 N LEU A 9 3.919 -12.277 -6.623 1.00 0.00 N ATOM 229 CA LEU A 9 4.732 -12.724 -5.499 1.00 0.00 C ATOM 230 C LEU A 9 4.345 -14.137 -5.072 1.00 0.00 C ATOM 231 O LEU A 9 3.231 -14.372 -4.603 1.00 0.00 O ATOM 232 CB LEU A 9 4.582 -11.762 -4.317 1.00 0.00 C ATOM 233 CG LEU A 9 4.960 -10.310 -4.614 1.00 0.00 C ATOM 234 CD1 LEU A 9 4.440 -9.390 -3.521 1.00 0.00 C ATOM 235 CD2 LEU A 9 6.468 -10.172 -4.757 1.00 0.00 C ATOM 0 H LEU A 9 2.958 -12.036 -6.380 1.00 0.00 H new ATOM 0 HA LEU A 9 5.774 -12.734 -5.820 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.548 -11.790 -3.974 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.200 -12.122 -3.494 1.00 0.00 H new ATOM 0 HG LEU A 9 4.497 -10.018 -5.557 1.00 0.00 H new ATOM 0 HD11 LEU A 9 4.718 -8.361 -3.749 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.354 -9.469 -3.465 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.874 -9.680 -2.564 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.720 -9.133 -4.968 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.951 -10.481 -3.830 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.815 -10.803 -5.575 1.00 0.00 H new ATOM 247 N HIS A 10 5.275 -15.072 -5.237 1.00 0.00 N ATOM 248 CA HIS A 10 5.035 -16.463 -4.868 1.00 0.00 C ATOM 249 C HIS A 10 4.849 -16.601 -3.359 1.00 0.00 C ATOM 250 O HIS A 10 5.748 -16.277 -2.582 1.00 0.00 O ATOM 251 CB HIS A 10 6.201 -17.340 -5.333 1.00 0.00 C ATOM 252 CG HIS A 10 5.769 -18.582 -6.050 1.00 0.00 C ATOM 253 ND1 HIS A 10 4.990 -18.563 -7.187 1.00 0.00 N ATOM 254 CD2 HIS A 10 6.018 -19.887 -5.788 1.00 0.00 C ATOM 255 CE1 HIS A 10 4.776 -19.802 -7.592 1.00 0.00 C ATOM 256 NE2 HIS A 10 5.390 -20.623 -6.761 1.00 0.00 N ATOM 0 H HIS A 10 6.202 -14.892 -5.624 1.00 0.00 H new ATOM 0 HA HIS A 10 4.120 -16.793 -5.359 1.00 0.00 H new ATOM 0 HB2 HIS A 10 6.844 -16.756 -5.991 1.00 0.00 H new ATOM 0 HB3 HIS A 10 6.801 -17.620 -4.468 1.00 0.00 H new ATOM 0 HD2 HIS A 10 6.602 -20.276 -4.967 1.00 0.00 H new ATOM 0 HE1 HIS A 10 4.197 -20.093 -8.456 1.00 0.00 H new ATOM 0 HE2 HIS A 10 5.397 -21.641 -6.831 1.00 0.00 H new ATOM 265 N ARG A 11 3.679 -17.081 -2.950 1.00 0.00 N ATOM 266 CA ARG A 11 3.382 -17.258 -1.533 1.00 0.00 C ATOM 267 C ARG A 11 4.374 -18.218 -0.883 1.00 0.00 C ATOM 268 O ARG A 11 4.486 -19.376 -1.284 1.00 0.00 O ATOM 269 CB ARG A 11 1.956 -17.781 -1.350 1.00 0.00 C ATOM 270 CG ARG A 11 0.886 -16.803 -1.811 1.00 0.00 C ATOM 271 CD ARG A 11 -0.076 -16.454 -0.685 1.00 0.00 C ATOM 272 NE ARG A 11 -0.578 -17.645 -0.005 1.00 0.00 N ATOM 273 CZ ARG A 11 -1.615 -17.641 0.829 1.00 0.00 C ATOM 274 NH1 ARG A 11 -2.260 -16.511 1.090 1.00 0.00 N ATOM 275 NH2 ARG A 11 -2.008 -18.768 1.404 1.00 0.00 N ATOM 0 H ARG A 11 2.923 -17.354 -3.578 1.00 0.00 H new ATOM 0 HA ARG A 11 3.472 -16.287 -1.046 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.846 -18.714 -1.903 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.795 -18.013 -0.297 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.359 -15.893 -2.181 1.00 0.00 H new ATOM 0 HG3 ARG A 11 0.331 -17.236 -2.644 1.00 0.00 H new ATOM 0 HD2 ARG A 11 0.428 -15.810 0.036 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -0.915 -15.886 -1.088 1.00 0.00 H new ATOM 0 HE ARG A 11 -0.106 -18.532 -0.180 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -1.962 -15.640 0.651 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -3.054 -16.513 1.730 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -1.516 -19.639 1.208 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -2.803 -18.764 2.043 1.00 0.00 H new ATOM 289 N ALA A 12 5.091 -17.727 0.123 1.00 0.00 N ATOM 290 CA ALA A 12 6.074 -18.540 0.829 1.00 0.00 C ATOM 291 C ALA A 12 5.617 -18.842 2.254 1.00 0.00 C ATOM 292 O ALA A 12 4.822 -18.100 2.830 1.00 0.00 O ATOM 293 CB ALA A 12 7.425 -17.841 0.843 1.00 0.00 C ATOM 0 H ALA A 12 5.009 -16.770 0.467 1.00 0.00 H new ATOM 0 HA ALA A 12 6.173 -19.487 0.299 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.149 -18.459 1.373 1.00 0.00 H new ATOM 0 HB2 ALA A 12 7.764 -17.683 -0.181 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.332 -16.879 1.347 1.00 0.00 H new ATOM 299 N PRO A 13 6.118 -19.941 2.844 1.00 0.00 N ATOM 300 CA PRO A 13 5.758 -20.339 4.209 1.00 0.00 C ATOM 301 C PRO A 13 5.933 -19.200 5.209 1.00 0.00 C ATOM 302 O PRO A 13 6.688 -18.259 4.967 1.00 0.00 O ATOM 303 CB PRO A 13 6.733 -21.476 4.518 1.00 0.00 C ATOM 304 CG PRO A 13 7.091 -22.040 3.187 1.00 0.00 C ATOM 305 CD PRO A 13 7.074 -20.882 2.228 1.00 0.00 C ATOM 0 HA PRO A 13 4.710 -20.627 4.286 1.00 0.00 H new ATOM 0 HB2 PRO A 13 7.615 -21.109 5.043 1.00 0.00 H new ATOM 0 HB3 PRO A 13 6.273 -22.230 5.157 1.00 0.00 H new ATOM 0 HG2 PRO A 13 8.074 -22.510 3.214 1.00 0.00 H new ATOM 0 HG3 PRO A 13 6.379 -22.808 2.884 1.00 0.00 H new ATOM 0 HD2 PRO A 13 8.063 -20.436 2.119 1.00 0.00 H new ATOM 0 HD3 PRO A 13 6.751 -21.189 1.233 1.00 0.00 H new ATOM 313 N GLY A 14 5.229 -19.294 6.332 1.00 0.00 N ATOM 314 CA GLY A 14 5.319 -18.265 7.351 1.00 0.00 C ATOM 315 C GLY A 14 4.234 -17.216 7.213 1.00 0.00 C ATOM 316 O GLY A 14 3.640 -16.793 8.205 1.00 0.00 O ATOM 0 H GLY A 14 4.598 -20.064 6.555 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.251 -18.727 8.336 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.295 -17.784 7.292 1.00 0.00 H new ATOM 320 N PHE A 15 3.973 -16.796 5.979 1.00 0.00 N ATOM 321 CA PHE A 15 2.950 -15.791 5.713 1.00 0.00 C ATOM 322 C PHE A 15 2.338 -15.993 4.331 1.00 0.00 C ATOM 323 O PHE A 15 1.153 -16.303 4.207 1.00 0.00 O ATOM 324 CB PHE A 15 3.546 -14.385 5.824 1.00 0.00 C ATOM 325 CG PHE A 15 3.273 -13.721 7.143 1.00 0.00 C ATOM 326 CD1 PHE A 15 4.131 -13.905 8.217 1.00 0.00 C ATOM 327 CD2 PHE A 15 2.160 -12.914 7.311 1.00 0.00 C ATOM 328 CE1 PHE A 15 3.883 -13.295 9.432 1.00 0.00 C ATOM 329 CE2 PHE A 15 1.907 -12.302 8.524 1.00 0.00 C ATOM 330 CZ PHE A 15 2.769 -12.492 9.586 1.00 0.00 C ATOM 0 H PHE A 15 4.456 -17.136 5.147 1.00 0.00 H new ATOM 0 HA PHE A 15 2.162 -15.902 6.458 1.00 0.00 H new ATOM 0 HB2 PHE A 15 4.624 -14.443 5.672 1.00 0.00 H new ATOM 0 HB3 PHE A 15 3.144 -13.764 5.024 1.00 0.00 H new ATOM 0 HD1 PHE A 15 5.003 -14.532 8.103 1.00 0.00 H new ATOM 0 HD2 PHE A 15 1.482 -12.761 6.484 1.00 0.00 H new ATOM 0 HE1 PHE A 15 4.559 -13.446 10.260 1.00 0.00 H new ATOM 0 HE2 PHE A 15 1.035 -11.675 8.641 1.00 0.00 H new ATOM 0 HZ PHE A 15 2.573 -12.014 10.535 1.00 0.00 H new ATOM 340 N GLY A 16 3.153 -15.819 3.297 1.00 0.00 N ATOM 341 CA GLY A 16 2.673 -15.990 1.938 1.00 0.00 C ATOM 342 C GLY A 16 2.751 -14.712 1.125 1.00 0.00 C ATOM 343 O GLY A 16 3.652 -14.544 0.304 1.00 0.00 O ATOM 0 H GLY A 16 4.137 -15.563 3.375 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.259 -16.766 1.445 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.640 -16.338 1.963 1.00 0.00 H new ATOM 347 N PHE A 17 1.801 -13.810 1.352 1.00 0.00 N ATOM 348 CA PHE A 17 1.767 -12.540 0.626 1.00 0.00 C ATOM 349 C PHE A 17 3.043 -11.741 0.875 1.00 0.00 C ATOM 350 O PHE A 17 3.556 -11.075 -0.024 1.00 0.00 O ATOM 351 CB PHE A 17 0.543 -11.692 1.019 1.00 0.00 C ATOM 352 CG PHE A 17 -0.417 -12.370 1.958 1.00 0.00 C ATOM 353 CD1 PHE A 17 -1.408 -13.207 1.472 1.00 0.00 C ATOM 354 CD2 PHE A 17 -0.328 -12.166 3.326 1.00 0.00 C ATOM 355 CE1 PHE A 17 -2.292 -13.830 2.333 1.00 0.00 C ATOM 356 CE2 PHE A 17 -1.208 -12.786 4.192 1.00 0.00 C ATOM 357 CZ PHE A 17 -2.192 -13.620 3.694 1.00 0.00 C ATOM 0 H PHE A 17 1.047 -13.931 2.029 1.00 0.00 H new ATOM 0 HA PHE A 17 1.692 -12.779 -0.435 1.00 0.00 H new ATOM 0 HB2 PHE A 17 0.891 -10.769 1.482 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.006 -11.412 0.113 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.491 -13.375 0.408 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.438 -11.515 3.720 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -3.060 -14.480 1.941 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -1.127 -12.620 5.256 1.00 0.00 H new ATOM 0 HZ PHE A 17 -2.881 -14.106 4.368 1.00 0.00 H new ATOM 367 N GLY A 18 3.552 -11.812 2.101 1.00 0.00 N ATOM 368 CA GLY A 18 4.762 -11.090 2.444 1.00 0.00 C ATOM 369 C GLY A 18 4.485 -9.700 2.988 1.00 0.00 C ATOM 370 O GLY A 18 5.353 -9.088 3.610 1.00 0.00 O ATOM 0 H GLY A 18 3.148 -12.357 2.863 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.322 -11.660 3.185 1.00 0.00 H new ATOM 0 HA3 GLY A 18 5.394 -11.010 1.560 1.00 0.00 H new ATOM 374 N ILE A 19 3.275 -9.198 2.754 1.00 0.00 N ATOM 375 CA ILE A 19 2.894 -7.872 3.226 1.00 0.00 C ATOM 376 C ILE A 19 1.477 -7.872 3.789 1.00 0.00 C ATOM 377 O ILE A 19 0.748 -8.856 3.663 1.00 0.00 O ATOM 378 CB ILE A 19 2.985 -6.827 2.097 1.00 0.00 C ATOM 379 CG1 ILE A 19 2.191 -7.293 0.875 1.00 0.00 C ATOM 380 CG2 ILE A 19 4.438 -6.567 1.727 1.00 0.00 C ATOM 381 CD1 ILE A 19 0.825 -6.652 0.761 1.00 0.00 C ATOM 0 H ILE A 19 2.543 -9.690 2.241 1.00 0.00 H new ATOM 0 HA ILE A 19 3.595 -7.606 4.017 1.00 0.00 H new ATOM 0 HB ILE A 19 2.551 -5.893 2.453 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.763 -7.072 -0.026 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.073 -8.376 0.920 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.483 -5.827 0.928 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.974 -6.193 2.599 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.899 -7.495 1.388 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.319 -7.029 -0.128 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.235 -6.894 1.645 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.936 -5.570 0.684 1.00 0.00 H new ATOM 393 N ALA A 20 1.092 -6.761 4.410 1.00 0.00 N ATOM 394 CA ALA A 20 -0.237 -6.630 4.992 1.00 0.00 C ATOM 395 C ALA A 20 -1.002 -5.472 4.357 1.00 0.00 C ATOM 396 O ALA A 20 -0.411 -4.471 3.956 1.00 0.00 O ATOM 397 CB ALA A 20 -0.138 -6.438 6.498 1.00 0.00 C ATOM 0 H ALA A 20 1.684 -5.938 4.523 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.787 -7.549 4.791 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -1.139 -6.342 6.919 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.361 -7.299 6.943 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.435 -5.536 6.713 1.00 0.00 H new ATOM 403 N ILE A 21 -2.320 -5.618 4.270 1.00 0.00 N ATOM 404 CA ILE A 21 -3.165 -4.583 3.684 1.00 0.00 C ATOM 405 C ILE A 21 -3.901 -3.797 4.764 1.00 0.00 C ATOM 406 O ILE A 21 -4.212 -4.327 5.830 1.00 0.00 O ATOM 407 CB ILE A 21 -4.197 -5.172 2.702 1.00 0.00 C ATOM 408 CG1 ILE A 21 -4.841 -6.438 3.285 1.00 0.00 C ATOM 409 CG2 ILE A 21 -3.546 -5.459 1.355 1.00 0.00 C ATOM 410 CD1 ILE A 21 -4.054 -7.709 3.031 1.00 0.00 C ATOM 0 H ILE A 21 -2.826 -6.441 4.597 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.501 -3.915 3.136 1.00 0.00 H new ATOM 0 HB ILE A 21 -4.987 -4.437 2.548 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -4.963 -6.308 4.360 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -5.839 -6.552 2.863 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -4.288 -5.874 0.673 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -3.148 -4.533 0.938 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.735 -6.175 1.488 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -4.577 -8.556 3.475 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -3.954 -7.867 1.957 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -3.064 -7.619 3.478 1.00 0.00 H new ATOM 422 N SER A 22 -4.178 -2.529 4.478 1.00 0.00 N ATOM 423 CA SER A 22 -4.879 -1.666 5.422 1.00 0.00 C ATOM 424 C SER A 22 -5.880 -0.770 4.700 1.00 0.00 C ATOM 425 O SER A 22 -5.564 -0.169 3.673 1.00 0.00 O ATOM 426 CB SER A 22 -3.879 -0.810 6.200 1.00 0.00 C ATOM 427 OG SER A 22 -4.284 -0.653 7.549 1.00 0.00 O ATOM 0 H SER A 22 -3.927 -2.076 3.599 1.00 0.00 H new ATOM 0 HA SER A 22 -5.425 -2.300 6.120 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.893 -1.274 6.164 1.00 0.00 H new ATOM 0 HB3 SER A 22 -3.788 0.168 5.728 1.00 0.00 H new ATOM 0 HG SER A 22 -3.554 -0.926 8.144 1.00 0.00 H new ATOM 433 N GLY A 23 -7.090 -0.686 5.243 1.00 0.00 N ATOM 434 CA GLY A 23 -8.120 0.138 4.637 1.00 0.00 C ATOM 435 C GLY A 23 -9.472 -0.547 4.615 1.00 0.00 C ATOM 436 O GLY A 23 -9.973 -0.980 5.652 1.00 0.00 O ATOM 0 H GLY A 23 -7.376 -1.174 6.092 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.200 1.076 5.186 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.827 0.389 3.618 1.00 0.00 H new ATOM 440 N GLY A 24 -10.063 -0.647 3.429 1.00 0.00 N ATOM 441 CA GLY A 24 -11.359 -1.286 3.298 1.00 0.00 C ATOM 442 C GLY A 24 -12.454 -0.311 2.910 1.00 0.00 C ATOM 443 O GLY A 24 -12.826 0.559 3.697 1.00 0.00 O ATOM 0 H GLY A 24 -9.668 -0.297 2.556 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.297 -2.074 2.548 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.621 -1.764 4.242 1.00 0.00 H new ATOM 447 N ARG A 25 -12.970 -0.457 1.695 1.00 0.00 N ATOM 448 CA ARG A 25 -14.029 0.417 1.203 1.00 0.00 C ATOM 449 C ARG A 25 -15.349 0.119 1.909 1.00 0.00 C ATOM 450 O ARG A 25 -16.178 1.008 2.097 1.00 0.00 O ATOM 451 CB ARG A 25 -14.190 0.253 -0.312 1.00 0.00 C ATOM 452 CG ARG A 25 -15.394 0.985 -0.889 1.00 0.00 C ATOM 453 CD ARG A 25 -15.376 2.463 -0.529 1.00 0.00 C ATOM 454 NE ARG A 25 -16.690 3.080 -0.691 1.00 0.00 N ATOM 455 CZ ARG A 25 -17.019 4.268 -0.188 1.00 0.00 C ATOM 456 NH1 ARG A 25 -16.132 4.970 0.505 1.00 0.00 N ATOM 457 NH2 ARG A 25 -18.237 4.755 -0.381 1.00 0.00 N ATOM 0 H ARG A 25 -12.672 -1.173 1.032 1.00 0.00 H new ATOM 0 HA ARG A 25 -13.750 1.448 1.419 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -13.287 0.615 -0.804 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -14.277 -0.808 -0.545 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -15.403 0.874 -1.973 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -16.311 0.530 -0.515 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -15.044 2.581 0.503 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -14.652 2.981 -1.158 1.00 0.00 H new ATOM 0 HE ARG A 25 -17.397 2.571 -1.221 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -15.193 4.600 0.654 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -16.389 5.880 0.888 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -18.922 4.220 -0.915 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -18.489 5.665 0.004 1.00 0.00 H new ATOM 613 N SER A 36 -8.450 3.661 -1.566 1.00 0.00 N ATOM 614 CA SER A 36 -7.488 2.663 -2.020 1.00 0.00 C ATOM 615 C SER A 36 -6.767 2.032 -0.834 1.00 0.00 C ATOM 616 O SER A 36 -6.390 2.724 0.111 1.00 0.00 O ATOM 617 CB SER A 36 -6.473 3.296 -2.973 1.00 0.00 C ATOM 618 OG SER A 36 -5.581 4.148 -2.276 1.00 0.00 O ATOM 0 HA SER A 36 -8.032 1.882 -2.552 1.00 0.00 H new ATOM 0 HB2 SER A 36 -5.910 2.513 -3.482 1.00 0.00 H new ATOM 0 HB3 SER A 36 -6.997 3.864 -3.742 1.00 0.00 H new ATOM 0 HG SER A 36 -6.047 4.561 -1.519 1.00 0.00 H new ATOM 624 N ILE A 37 -6.580 0.717 -0.885 1.00 0.00 N ATOM 625 CA ILE A 37 -5.904 0.007 0.196 1.00 0.00 C ATOM 626 C ILE A 37 -4.399 0.260 0.167 1.00 0.00 C ATOM 627 O ILE A 37 -3.792 0.334 -0.901 1.00 0.00 O ATOM 628 CB ILE A 37 -6.171 -1.512 0.131 1.00 0.00 C ATOM 629 CG1 ILE A 37 -5.655 -2.199 1.398 1.00 0.00 C ATOM 630 CG2 ILE A 37 -5.527 -2.116 -1.106 1.00 0.00 C ATOM 631 CD1 ILE A 37 -6.757 -2.667 2.323 1.00 0.00 C ATOM 0 H ILE A 37 -6.884 0.124 -1.657 1.00 0.00 H new ATOM 0 HA ILE A 37 -6.312 0.393 1.130 1.00 0.00 H new ATOM 0 HB ILE A 37 -7.247 -1.671 0.067 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -5.042 -3.055 1.114 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -5.007 -1.508 1.938 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.726 -3.187 -1.134 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -5.941 -1.646 -1.998 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -4.450 -1.948 -1.075 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -6.318 -3.144 3.199 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.356 -1.812 2.637 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -7.392 -3.382 1.800 1.00 0.00 H new ATOM 643 N VAL A 38 -3.804 0.391 1.349 1.00 0.00 N ATOM 644 CA VAL A 38 -2.373 0.636 1.465 1.00 0.00 C ATOM 645 C VAL A 38 -1.705 -0.433 2.327 1.00 0.00 C ATOM 646 O VAL A 38 -2.373 -1.139 3.082 1.00 0.00 O ATOM 647 CB VAL A 38 -2.094 2.028 2.071 1.00 0.00 C ATOM 648 CG1 VAL A 38 -2.662 2.125 3.479 1.00 0.00 C ATOM 649 CG2 VAL A 38 -0.602 2.330 2.068 1.00 0.00 C ATOM 0 H VAL A 38 -4.294 0.331 2.242 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.955 0.598 0.459 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.591 2.774 1.451 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.454 3.114 3.888 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.740 1.964 3.449 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.199 1.367 4.111 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.429 3.316 2.500 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.078 1.579 2.658 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.229 2.312 1.044 1.00 0.00 H new ATOM 659 N ILE A 39 -0.385 -0.550 2.209 1.00 0.00 N ATOM 660 CA ILE A 39 0.365 -1.536 2.978 1.00 0.00 C ATOM 661 C ILE A 39 0.480 -1.119 4.440 1.00 0.00 C ATOM 662 O ILE A 39 1.040 -0.068 4.755 1.00 0.00 O ATOM 663 CB ILE A 39 1.779 -1.740 2.402 1.00 0.00 C ATOM 664 CG1 ILE A 39 1.711 -1.971 0.891 1.00 0.00 C ATOM 665 CG2 ILE A 39 2.468 -2.908 3.091 1.00 0.00 C ATOM 666 CD1 ILE A 39 0.974 -3.235 0.506 1.00 0.00 C ATOM 0 H ILE A 39 0.185 0.025 1.589 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.185 -2.475 2.912 1.00 0.00 H new ATOM 0 HB ILE A 39 2.363 -0.838 2.586 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.221 -1.117 0.423 1.00 0.00 H new ATOM 0 HG13 ILE A 39 2.724 -2.015 0.492 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.466 -3.040 2.673 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.546 -2.706 4.159 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.887 -3.817 2.935 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.965 -3.335 -0.579 1.00 0.00 H new ATOM 0 HD12 ILE A 39 1.476 -4.097 0.945 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.051 -3.185 0.874 1.00 0.00 H new ATOM 678 N SER A 40 -0.057 -1.947 5.329 1.00 0.00 N ATOM 679 CA SER A 40 -0.019 -1.665 6.760 1.00 0.00 C ATOM 680 C SER A 40 1.346 -2.006 7.348 1.00 0.00 C ATOM 681 O SER A 40 2.086 -1.121 7.782 1.00 0.00 O ATOM 682 CB SER A 40 -1.113 -2.452 7.485 1.00 0.00 C ATOM 683 OG SER A 40 -1.822 -1.624 8.391 1.00 0.00 O ATOM 0 H SER A 40 -0.524 -2.820 5.084 1.00 0.00 H new ATOM 0 HA SER A 40 -0.196 -0.598 6.899 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.805 -2.875 6.756 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.667 -3.288 8.024 1.00 0.00 H new ATOM 0 HG SER A 40 -2.404 -2.177 8.953 1.00 0.00 H new ATOM 689 N ASP A 41 1.674 -3.293 7.362 1.00 0.00 N ATOM 690 CA ASP A 41 2.950 -3.752 7.899 1.00 0.00 C ATOM 691 C ASP A 41 3.502 -4.910 7.074 1.00 0.00 C ATOM 692 O ASP A 41 2.750 -5.633 6.421 1.00 0.00 O ATOM 693 CB ASP A 41 2.788 -4.179 9.360 1.00 0.00 C ATOM 694 CG ASP A 41 3.848 -3.574 10.259 1.00 0.00 C ATOM 695 OD1 ASP A 41 5.026 -3.971 10.138 1.00 0.00 O ATOM 696 OD2 ASP A 41 3.501 -2.703 11.084 1.00 0.00 O ATOM 0 H ASP A 41 1.074 -4.038 7.007 1.00 0.00 H new ATOM 0 HA ASP A 41 3.658 -2.925 7.847 1.00 0.00 H new ATOM 0 HB2 ASP A 41 1.801 -3.882 9.715 1.00 0.00 H new ATOM 0 HB3 ASP A 41 2.837 -5.266 9.426 1.00 0.00 H new ATOM 701 N VAL A 42 4.820 -5.080 7.108 1.00 0.00 N ATOM 702 CA VAL A 42 5.470 -6.150 6.361 1.00 0.00 C ATOM 703 C VAL A 42 6.471 -6.901 7.229 1.00 0.00 C ATOM 704 O VAL A 42 7.063 -6.333 8.147 1.00 0.00 O ATOM 705 CB VAL A 42 6.196 -5.605 5.117 1.00 0.00 C ATOM 706 CG1 VAL A 42 5.201 -4.990 4.145 1.00 0.00 C ATOM 707 CG2 VAL A 42 7.257 -4.590 5.516 1.00 0.00 C ATOM 0 H VAL A 42 5.458 -4.491 7.644 1.00 0.00 H new ATOM 0 HA VAL A 42 4.683 -6.835 6.045 1.00 0.00 H new ATOM 0 HB VAL A 42 6.693 -6.437 4.617 1.00 0.00 H new ATOM 0 HG11 VAL A 42 5.732 -4.610 3.272 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.483 -5.748 3.831 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.674 -4.171 4.634 1.00 0.00 H new ATOM 0 HG21 VAL A 42 7.758 -4.217 4.623 1.00 0.00 H new ATOM 0 HG22 VAL A 42 6.786 -3.759 6.041 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.988 -5.066 6.170 1.00 0.00 H new ATOM 717 N LEU A 43 6.659 -8.183 6.930 1.00 0.00 N ATOM 718 CA LEU A 43 7.591 -9.015 7.681 1.00 0.00 C ATOM 719 C LEU A 43 9.033 -8.698 7.296 1.00 0.00 C ATOM 720 O LEU A 43 9.948 -8.832 8.109 1.00 0.00 O ATOM 721 CB LEU A 43 7.303 -10.497 7.435 1.00 0.00 C ATOM 722 CG LEU A 43 7.039 -10.873 5.973 1.00 0.00 C ATOM 723 CD1 LEU A 43 7.970 -11.992 5.532 1.00 0.00 C ATOM 724 CD2 LEU A 43 5.583 -11.279 5.780 1.00 0.00 C ATOM 0 H LEU A 43 6.178 -8.668 6.172 1.00 0.00 H new ATOM 0 HA LEU A 43 7.457 -8.798 8.741 1.00 0.00 H new ATOM 0 HB2 LEU A 43 8.149 -11.081 7.797 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.437 -10.787 8.031 1.00 0.00 H new ATOM 0 HG LEU A 43 7.237 -9.999 5.352 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.767 -12.245 4.491 1.00 0.00 H new ATOM 0 HD12 LEU A 43 9.005 -11.664 5.631 1.00 0.00 H new ATOM 0 HD13 LEU A 43 7.806 -12.870 6.157 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.414 -11.543 4.736 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.358 -12.138 6.412 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.934 -10.447 6.054 1.00 0.00 H new ATOM 736 N LYS A 44 9.230 -8.278 6.050 1.00 0.00 N ATOM 737 CA LYS A 44 10.560 -7.942 5.556 1.00 0.00 C ATOM 738 C LYS A 44 11.464 -9.171 5.557 1.00 0.00 C ATOM 739 O LYS A 44 12.674 -9.063 5.758 1.00 0.00 O ATOM 740 CB LYS A 44 11.182 -6.835 6.409 1.00 0.00 C ATOM 741 CG LYS A 44 12.312 -6.093 5.711 1.00 0.00 C ATOM 742 CD LYS A 44 12.270 -4.602 6.011 1.00 0.00 C ATOM 743 CE LYS A 44 12.771 -3.783 4.833 1.00 0.00 C ATOM 744 NZ LYS A 44 12.711 -2.321 5.108 1.00 0.00 N ATOM 0 H LYS A 44 8.484 -8.162 5.364 1.00 0.00 H new ATOM 0 HA LYS A 44 10.461 -7.585 4.531 1.00 0.00 H new ATOM 0 HB2 LYS A 44 10.406 -6.121 6.686 1.00 0.00 H new ATOM 0 HB3 LYS A 44 11.560 -7.270 7.334 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.270 -6.503 6.031 1.00 0.00 H new ATOM 0 HG3 LYS A 44 12.242 -6.251 4.635 1.00 0.00 H new ATOM 0 HD2 LYS A 44 11.249 -4.307 6.253 1.00 0.00 H new ATOM 0 HD3 LYS A 44 12.880 -4.389 6.889 1.00 0.00 H new ATOM 0 HE2 LYS A 44 13.798 -4.067 4.604 1.00 0.00 H new ATOM 0 HE3 LYS A 44 12.172 -4.011 3.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 13.061 -1.797 4.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 11.727 -2.044 5.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 13.302 -2.099 5.934 1.00 0.00 H new ATOM 758 N GLY A 45 10.868 -10.337 5.334 1.00 0.00 N ATOM 759 CA GLY A 45 11.634 -11.569 5.313 1.00 0.00 C ATOM 760 C GLY A 45 11.095 -12.576 4.313 1.00 0.00 C ATOM 761 O GLY A 45 11.416 -13.762 4.385 1.00 0.00 O ATOM 0 H GLY A 45 9.868 -10.451 5.167 1.00 0.00 H new ATOM 0 HA2 GLY A 45 12.672 -11.343 5.071 1.00 0.00 H new ATOM 0 HA3 GLY A 45 11.628 -12.013 6.309 1.00 0.00 H new ATOM 765 N GLY A 46 10.274 -12.104 3.378 1.00 0.00 N ATOM 766 CA GLY A 46 9.707 -12.987 2.377 1.00 0.00 C ATOM 767 C GLY A 46 9.829 -12.425 0.973 1.00 0.00 C ATOM 768 O GLY A 46 10.733 -11.637 0.696 1.00 0.00 O ATOM 0 H GLY A 46 9.993 -11.127 3.297 1.00 0.00 H new ATOM 0 HA2 GLY A 46 10.209 -13.954 2.423 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.656 -13.162 2.605 1.00 0.00 H new ATOM 772 N PRO A 47 8.927 -12.815 0.056 1.00 0.00 N ATOM 773 CA PRO A 47 8.950 -12.335 -1.329 1.00 0.00 C ATOM 774 C PRO A 47 8.572 -10.861 -1.437 1.00 0.00 C ATOM 775 O PRO A 47 9.039 -10.154 -2.329 1.00 0.00 O ATOM 776 CB PRO A 47 7.904 -13.208 -2.026 1.00 0.00 C ATOM 777 CG PRO A 47 6.973 -13.622 -0.941 1.00 0.00 C ATOM 778 CD PRO A 47 7.814 -13.752 0.299 1.00 0.00 C ATOM 0 HA PRO A 47 9.945 -12.407 -1.769 1.00 0.00 H new ATOM 0 HB2 PRO A 47 7.382 -12.654 -2.806 1.00 0.00 H new ATOM 0 HB3 PRO A 47 8.365 -14.073 -2.504 1.00 0.00 H new ATOM 0 HG2 PRO A 47 6.183 -12.884 -0.801 1.00 0.00 H new ATOM 0 HG3 PRO A 47 6.487 -14.567 -1.184 1.00 0.00 H new ATOM 0 HD2 PRO A 47 7.253 -13.486 1.195 1.00 0.00 H new ATOM 0 HD3 PRO A 47 8.171 -14.773 0.438 1.00 0.00 H new ATOM 786 N ALA A 48 7.722 -10.406 -0.522 1.00 0.00 N ATOM 787 CA ALA A 48 7.280 -9.018 -0.513 1.00 0.00 C ATOM 788 C ALA A 48 7.963 -8.228 0.599 1.00 0.00 C ATOM 789 O ALA A 48 7.403 -7.265 1.124 1.00 0.00 O ATOM 790 CB ALA A 48 5.769 -8.950 -0.360 1.00 0.00 C ATOM 0 H ALA A 48 7.326 -10.979 0.223 1.00 0.00 H new ATOM 0 HA ALA A 48 7.561 -8.567 -1.465 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.450 -7.908 -0.355 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.295 -9.470 -1.193 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.477 -9.424 0.577 1.00 0.00 H new ATOM 796 N GLU A 49 9.176 -8.640 0.955 1.00 0.00 N ATOM 797 CA GLU A 49 9.935 -7.969 2.004 1.00 0.00 C ATOM 798 C GLU A 49 10.156 -6.498 1.664 1.00 0.00 C ATOM 799 O GLU A 49 9.990 -5.623 2.514 1.00 0.00 O ATOM 800 CB GLU A 49 11.282 -8.663 2.212 1.00 0.00 C ATOM 801 CG GLU A 49 12.125 -8.745 0.950 1.00 0.00 C ATOM 802 CD GLU A 49 13.051 -9.947 0.945 1.00 0.00 C ATOM 803 OE1 GLU A 49 13.799 -10.125 1.929 1.00 0.00 O ATOM 804 OE2 GLU A 49 13.027 -10.709 -0.044 1.00 0.00 O ATOM 0 H GLU A 49 9.654 -9.436 0.532 1.00 0.00 H new ATOM 0 HA GLU A 49 9.357 -8.026 2.926 1.00 0.00 H new ATOM 0 HB2 GLU A 49 11.842 -8.128 2.979 1.00 0.00 H new ATOM 0 HB3 GLU A 49 11.108 -9.671 2.589 1.00 0.00 H new ATOM 0 HG2 GLU A 49 11.468 -8.793 0.081 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.717 -7.835 0.853 1.00 0.00 H new ATOM 811 N GLY A 50 10.531 -6.234 0.417 1.00 0.00 N ATOM 812 CA GLY A 50 10.769 -4.868 -0.011 1.00 0.00 C ATOM 813 C GLY A 50 10.223 -4.589 -1.397 1.00 0.00 C ATOM 814 O GLY A 50 10.857 -3.899 -2.195 1.00 0.00 O ATOM 0 H GLY A 50 10.674 -6.941 -0.304 1.00 0.00 H new ATOM 0 HA2 GLY A 50 10.310 -4.183 0.701 1.00 0.00 H new ATOM 0 HA3 GLY A 50 11.841 -4.669 0.000 1.00 0.00 H new ATOM 818 N GLN A 51 9.042 -5.128 -1.687 1.00 0.00 N ATOM 819 CA GLN A 51 8.411 -4.934 -2.986 1.00 0.00 C ATOM 820 C GLN A 51 7.166 -4.060 -2.862 1.00 0.00 C ATOM 821 O GLN A 51 6.907 -3.208 -3.711 1.00 0.00 O ATOM 822 CB GLN A 51 8.042 -6.284 -3.603 1.00 0.00 C ATOM 823 CG GLN A 51 9.125 -6.860 -4.501 1.00 0.00 C ATOM 824 CD GLN A 51 10.143 -7.681 -3.733 1.00 0.00 C ATOM 825 OE1 GLN A 51 10.366 -7.460 -2.542 1.00 0.00 O ATOM 826 NE2 GLN A 51 10.767 -8.635 -4.413 1.00 0.00 N ATOM 0 H GLN A 51 8.504 -5.703 -1.039 1.00 0.00 H new ATOM 0 HA GLN A 51 9.124 -4.428 -3.637 1.00 0.00 H new ATOM 0 HB2 GLN A 51 7.830 -6.994 -2.803 1.00 0.00 H new ATOM 0 HB3 GLN A 51 7.125 -6.171 -4.181 1.00 0.00 H new ATOM 0 HG2 GLN A 51 8.663 -7.484 -5.267 1.00 0.00 H new ATOM 0 HG3 GLN A 51 9.635 -6.046 -5.017 1.00 0.00 H new ATOM 0 HE21 GLN A 51 10.551 -8.783 -5.399 1.00 0.00 H new ATOM 0 HE22 GLN A 51 11.463 -9.220 -3.950 1.00 0.00 H new ATOM 835 N LEU A 52 6.401 -4.279 -1.799 1.00 0.00 N ATOM 836 CA LEU A 52 5.183 -3.512 -1.562 1.00 0.00 C ATOM 837 C LEU A 52 5.254 -2.774 -0.229 1.00 0.00 C ATOM 838 O LEU A 52 5.143 -3.383 0.836 1.00 0.00 O ATOM 839 CB LEU A 52 3.962 -4.434 -1.583 1.00 0.00 C ATOM 840 CG LEU A 52 3.904 -5.405 -2.763 1.00 0.00 C ATOM 841 CD1 LEU A 52 2.958 -6.556 -2.462 1.00 0.00 C ATOM 842 CD2 LEU A 52 3.476 -4.678 -4.029 1.00 0.00 C ATOM 0 H LEU A 52 6.602 -4.981 -1.087 1.00 0.00 H new ATOM 0 HA LEU A 52 5.087 -2.775 -2.360 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.944 -5.009 -0.657 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.062 -3.819 -1.593 1.00 0.00 H new ATOM 0 HG LEU A 52 4.902 -5.815 -2.921 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.930 -7.236 -3.313 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.307 -7.093 -1.580 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.957 -6.166 -2.277 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.440 -5.383 -4.859 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.489 -4.241 -3.881 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.193 -3.888 -4.255 1.00 0.00 H new ATOM 854 N GLN A 53 5.441 -1.461 -0.295 1.00 0.00 N ATOM 855 CA GLN A 53 5.527 -0.637 0.907 1.00 0.00 C ATOM 856 C GLN A 53 4.586 0.559 0.815 1.00 0.00 C ATOM 857 O GLN A 53 3.968 0.797 -0.223 1.00 0.00 O ATOM 858 CB GLN A 53 6.964 -0.158 1.120 1.00 0.00 C ATOM 859 CG GLN A 53 7.467 0.763 0.020 1.00 0.00 C ATOM 860 CD GLN A 53 8.684 0.208 -0.696 1.00 0.00 C ATOM 861 OE1 GLN A 53 9.688 0.900 -0.864 1.00 0.00 O ATOM 862 NE2 GLN A 53 8.600 -1.047 -1.120 1.00 0.00 N ATOM 0 H GLN A 53 5.536 -0.943 -1.168 1.00 0.00 H new ATOM 0 HA GLN A 53 5.226 -1.247 1.759 1.00 0.00 H new ATOM 0 HB2 GLN A 53 7.027 0.363 2.076 1.00 0.00 H new ATOM 0 HB3 GLN A 53 7.621 -1.025 1.186 1.00 0.00 H new ATOM 0 HG2 GLN A 53 6.669 0.928 -0.703 1.00 0.00 H new ATOM 0 HG3 GLN A 53 7.714 1.734 0.449 1.00 0.00 H new ATOM 0 HE21 GLN A 53 7.748 -1.584 -0.959 1.00 0.00 H new ATOM 0 HE22 GLN A 53 9.388 -1.475 -1.607 1.00 0.00 H new ATOM 871 N GLU A 54 4.482 1.309 1.908 1.00 0.00 N ATOM 872 CA GLU A 54 3.616 2.484 1.952 1.00 0.00 C ATOM 873 C GLU A 54 3.933 3.443 0.808 1.00 0.00 C ATOM 874 O GLU A 54 3.054 4.150 0.315 1.00 0.00 O ATOM 875 CB GLU A 54 3.766 3.204 3.293 1.00 0.00 C ATOM 876 CG GLU A 54 5.194 3.627 3.600 1.00 0.00 C ATOM 877 CD GLU A 54 5.287 5.061 4.084 1.00 0.00 C ATOM 878 OE1 GLU A 54 4.449 5.886 3.661 1.00 0.00 O ATOM 879 OE2 GLU A 54 6.197 5.359 4.885 1.00 0.00 O ATOM 0 H GLU A 54 4.986 1.125 2.775 1.00 0.00 H new ATOM 0 HA GLU A 54 2.586 2.146 1.841 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.126 4.086 3.296 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.411 2.550 4.089 1.00 0.00 H new ATOM 0 HG2 GLU A 54 5.610 2.964 4.358 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.804 3.510 2.704 1.00 0.00 H new ATOM 886 N ASN A 55 5.194 3.460 0.389 1.00 0.00 N ATOM 887 CA ASN A 55 5.625 4.331 -0.699 1.00 0.00 C ATOM 888 C ASN A 55 4.889 3.989 -1.990 1.00 0.00 C ATOM 889 O ASN A 55 4.623 4.861 -2.816 1.00 0.00 O ATOM 890 CB ASN A 55 7.135 4.209 -0.910 1.00 0.00 C ATOM 891 CG ASN A 55 7.928 4.910 0.175 1.00 0.00 C ATOM 892 OD1 ASN A 55 7.677 6.074 0.491 1.00 0.00 O ATOM 893 ND2 ASN A 55 8.894 4.205 0.753 1.00 0.00 N ATOM 0 H ASN A 55 5.935 2.882 0.786 1.00 0.00 H new ATOM 0 HA ASN A 55 5.386 5.359 -0.427 1.00 0.00 H new ATOM 0 HB2 ASN A 55 7.412 3.155 -0.935 1.00 0.00 H new ATOM 0 HB3 ASN A 55 7.399 4.631 -1.880 1.00 0.00 H new ATOM 0 HD21 ASN A 55 9.461 4.625 1.489 1.00 0.00 H new ATOM 0 HD22 ASN A 55 9.068 3.243 0.461 1.00 0.00 H new ATOM 900 N ASP A 56 4.558 2.712 -2.152 1.00 0.00 N ATOM 901 CA ASP A 56 3.847 2.250 -3.339 1.00 0.00 C ATOM 902 C ASP A 56 2.383 1.975 -3.015 1.00 0.00 C ATOM 903 O ASP A 56 2.071 1.126 -2.180 1.00 0.00 O ATOM 904 CB ASP A 56 4.505 0.987 -3.897 1.00 0.00 C ATOM 905 CG ASP A 56 6.013 1.118 -4.002 1.00 0.00 C ATOM 906 OD1 ASP A 56 6.509 2.264 -4.012 1.00 0.00 O ATOM 907 OD2 ASP A 56 6.696 0.075 -4.077 1.00 0.00 O ATOM 0 H ASP A 56 4.771 1.978 -1.476 1.00 0.00 H new ATOM 0 HA ASP A 56 3.896 3.036 -4.093 1.00 0.00 H new ATOM 0 HB2 ASP A 56 4.260 0.140 -3.256 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.092 0.771 -4.882 1.00 0.00 H new ATOM 912 N ARG A 57 1.489 2.701 -3.677 1.00 0.00 N ATOM 913 CA ARG A 57 0.057 2.536 -3.453 1.00 0.00 C ATOM 914 C ARG A 57 -0.499 1.392 -4.294 1.00 0.00 C ATOM 915 O ARG A 57 -0.315 1.358 -5.510 1.00 0.00 O ATOM 916 CB ARG A 57 -0.686 3.832 -3.781 1.00 0.00 C ATOM 917 CG ARG A 57 0.011 5.082 -3.267 1.00 0.00 C ATOM 918 CD ARG A 57 -0.989 6.144 -2.835 1.00 0.00 C ATOM 919 NE ARG A 57 -1.627 6.794 -3.979 1.00 0.00 N ATOM 920 CZ ARG A 57 -2.834 6.476 -4.443 1.00 0.00 C ATOM 921 NH1 ARG A 57 -3.547 5.512 -3.873 1.00 0.00 N ATOM 922 NH2 ARG A 57 -3.333 7.127 -5.485 1.00 0.00 N ATOM 0 H ARG A 57 1.729 3.408 -4.372 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.093 2.295 -2.401 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -0.803 3.910 -4.862 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -1.688 3.784 -3.355 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.652 4.821 -2.425 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.657 5.486 -4.047 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -1.753 5.688 -2.205 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -0.482 6.894 -2.228 1.00 0.00 H new ATOM 0 HE ARG A 57 -1.115 7.539 -4.452 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -3.171 5.006 -3.071 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -4.470 5.277 -4.237 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -2.793 7.869 -5.929 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -4.257 6.885 -5.842 1.00 0.00 H new ATOM 936 N VAL A 58 -1.183 0.458 -3.638 1.00 0.00 N ATOM 937 CA VAL A 58 -1.767 -0.684 -4.329 1.00 0.00 C ATOM 938 C VAL A 58 -3.204 -0.388 -4.750 1.00 0.00 C ATOM 939 O VAL A 58 -3.996 0.130 -3.964 1.00 0.00 O ATOM 940 CB VAL A 58 -1.741 -1.949 -3.449 1.00 0.00 C ATOM 941 CG1 VAL A 58 -2.537 -1.734 -2.172 1.00 0.00 C ATOM 942 CG2 VAL A 58 -2.268 -3.152 -4.220 1.00 0.00 C ATOM 0 H VAL A 58 -1.345 0.471 -2.631 1.00 0.00 H new ATOM 0 HA VAL A 58 -1.162 -0.865 -5.218 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.706 -2.150 -3.172 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.505 -2.640 -1.566 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.106 -0.906 -1.610 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -3.572 -1.502 -2.423 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.241 -4.034 -3.581 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.295 -2.962 -4.533 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.646 -3.322 -5.099 1.00 0.00 H new ATOM 952 N ALA A 59 -3.530 -0.713 -5.997 1.00 0.00 N ATOM 953 CA ALA A 59 -4.872 -0.473 -6.519 1.00 0.00 C ATOM 954 C ALA A 59 -5.444 -1.710 -7.210 1.00 0.00 C ATOM 955 O ALA A 59 -6.530 -1.654 -7.789 1.00 0.00 O ATOM 956 CB ALA A 59 -4.856 0.707 -7.479 1.00 0.00 C ATOM 0 H ALA A 59 -2.887 -1.141 -6.663 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.519 -0.242 -5.673 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.862 0.878 -7.863 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.512 1.598 -6.954 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.183 0.492 -8.309 1.00 0.00 H new ATOM 962 N MET A 60 -4.719 -2.823 -7.149 1.00 0.00 N ATOM 963 CA MET A 60 -5.177 -4.060 -7.774 1.00 0.00 C ATOM 964 C MET A 60 -4.468 -5.272 -7.182 1.00 0.00 C ATOM 965 O MET A 60 -3.272 -5.225 -6.889 1.00 0.00 O ATOM 966 CB MET A 60 -4.946 -4.009 -9.285 1.00 0.00 C ATOM 967 CG MET A 60 -6.036 -4.700 -10.089 1.00 0.00 C ATOM 968 SD MET A 60 -6.103 -4.132 -11.799 1.00 0.00 S ATOM 969 CE MET A 60 -5.594 -5.614 -12.668 1.00 0.00 C ATOM 0 H MET A 60 -3.818 -2.894 -6.677 1.00 0.00 H new ATOM 0 HA MET A 60 -6.245 -4.158 -7.577 1.00 0.00 H new ATOM 0 HB2 MET A 60 -4.879 -2.967 -9.599 1.00 0.00 H new ATOM 0 HB3 MET A 60 -3.987 -4.474 -9.514 1.00 0.00 H new ATOM 0 HG2 MET A 60 -5.866 -5.777 -10.074 1.00 0.00 H new ATOM 0 HG3 MET A 60 -7.001 -4.523 -9.613 1.00 0.00 H new ATOM 0 HE1 MET A 60 -5.052 -5.337 -13.572 1.00 0.00 H new ATOM 0 HE2 MET A 60 -4.947 -6.209 -12.024 1.00 0.00 H new ATOM 0 HE3 MET A 60 -6.474 -6.198 -12.937 1.00 0.00 H new ATOM 979 N VAL A 61 -5.212 -6.360 -7.011 1.00 0.00 N ATOM 980 CA VAL A 61 -4.658 -7.590 -6.459 1.00 0.00 C ATOM 981 C VAL A 61 -5.248 -8.812 -7.156 1.00 0.00 C ATOM 982 O VAL A 61 -6.459 -9.033 -7.122 1.00 0.00 O ATOM 983 CB VAL A 61 -4.918 -7.695 -4.944 1.00 0.00 C ATOM 984 CG1 VAL A 61 -6.411 -7.700 -4.653 1.00 0.00 C ATOM 985 CG2 VAL A 61 -4.249 -8.935 -4.369 1.00 0.00 C ATOM 0 H VAL A 61 -6.203 -6.414 -7.248 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.582 -7.561 -6.629 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.483 -6.820 -4.461 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.572 -7.775 -3.578 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.857 -6.777 -5.023 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.876 -8.552 -5.149 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.445 -8.991 -3.298 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.649 -9.824 -4.857 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.174 -8.880 -4.539 1.00 0.00 H new ATOM 995 N ASN A 62 -4.387 -9.602 -7.788 1.00 0.00 N ATOM 996 CA ASN A 62 -4.825 -10.802 -8.495 1.00 0.00 C ATOM 997 C ASN A 62 -5.899 -10.468 -9.528 1.00 0.00 C ATOM 998 O ASN A 62 -6.787 -11.276 -9.797 1.00 0.00 O ATOM 999 CB ASN A 62 -5.360 -11.837 -7.503 1.00 0.00 C ATOM 1000 CG ASN A 62 -4.964 -13.253 -7.876 1.00 0.00 C ATOM 1001 OD1 ASN A 62 -4.581 -14.049 -7.019 1.00 0.00 O ATOM 1002 ND2 ASN A 62 -5.055 -13.574 -9.161 1.00 0.00 N ATOM 0 H ASN A 62 -3.382 -9.434 -7.826 1.00 0.00 H new ATOM 0 HA ASN A 62 -3.964 -11.219 -9.017 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -4.985 -11.608 -6.506 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -6.447 -11.766 -7.459 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -4.802 -14.512 -9.471 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -5.378 -12.882 -9.838 1.00 0.00 H new ATOM 1009 N GLY A 63 -5.808 -9.273 -10.104 1.00 0.00 N ATOM 1010 CA GLY A 63 -6.777 -8.855 -11.101 1.00 0.00 C ATOM 1011 C GLY A 63 -7.904 -8.027 -10.511 1.00 0.00 C ATOM 1012 O GLY A 63 -8.519 -7.220 -11.208 1.00 0.00 O ATOM 0 H GLY A 63 -5.081 -8.587 -9.898 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.271 -8.275 -11.873 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.195 -9.736 -11.587 1.00 0.00 H new ATOM 1016 N VAL A 64 -8.177 -8.227 -9.226 1.00 0.00 N ATOM 1017 CA VAL A 64 -9.238 -7.493 -8.546 1.00 0.00 C ATOM 1018 C VAL A 64 -8.788 -6.082 -8.183 1.00 0.00 C ATOM 1019 O VAL A 64 -7.624 -5.856 -7.856 1.00 0.00 O ATOM 1020 CB VAL A 64 -9.695 -8.220 -7.267 1.00 0.00 C ATOM 1021 CG1 VAL A 64 -10.924 -7.544 -6.678 1.00 0.00 C ATOM 1022 CG2 VAL A 64 -9.971 -9.690 -7.555 1.00 0.00 C ATOM 0 H VAL A 64 -7.678 -8.891 -8.634 1.00 0.00 H new ATOM 0 HA VAL A 64 -10.076 -7.435 -9.241 1.00 0.00 H new ATOM 0 HB VAL A 64 -8.891 -8.163 -6.533 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -11.232 -8.072 -5.775 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -10.687 -6.509 -6.430 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -11.735 -7.566 -7.406 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -10.293 -10.186 -6.639 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -10.756 -9.772 -8.307 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -9.062 -10.165 -7.925 1.00 0.00 H new ATOM 1032 N SER A 65 -9.720 -5.135 -8.244 1.00 0.00 N ATOM 1033 CA SER A 65 -9.420 -3.745 -7.921 1.00 0.00 C ATOM 1034 C SER A 65 -9.332 -3.540 -6.412 1.00 0.00 C ATOM 1035 O SER A 65 -10.083 -4.147 -5.648 1.00 0.00 O ATOM 1036 CB SER A 65 -10.488 -2.822 -8.511 1.00 0.00 C ATOM 1037 OG SER A 65 -10.527 -2.925 -9.924 1.00 0.00 O ATOM 0 H SER A 65 -10.689 -5.306 -8.514 1.00 0.00 H new ATOM 0 HA SER A 65 -8.452 -3.499 -8.358 1.00 0.00 H new ATOM 0 HB2 SER A 65 -11.463 -3.078 -8.097 1.00 0.00 H new ATOM 0 HB3 SER A 65 -10.281 -1.791 -8.224 1.00 0.00 H new ATOM 0 HG SER A 65 -11.219 -2.327 -10.277 1.00 0.00 H new ATOM 1043 N MET A 66 -8.408 -2.683 -5.988 1.00 0.00 N ATOM 1044 CA MET A 66 -8.220 -2.399 -4.569 1.00 0.00 C ATOM 1045 C MET A 66 -8.519 -0.935 -4.256 1.00 0.00 C ATOM 1046 O MET A 66 -7.967 -0.366 -3.312 1.00 0.00 O ATOM 1047 CB MET A 66 -6.790 -2.737 -4.147 1.00 0.00 C ATOM 1048 CG MET A 66 -6.597 -4.194 -3.760 1.00 0.00 C ATOM 1049 SD MET A 66 -4.925 -4.543 -3.185 1.00 0.00 S ATOM 1050 CE MET A 66 -5.265 -5.311 -1.603 1.00 0.00 C ATOM 0 H MET A 66 -7.778 -2.173 -6.607 1.00 0.00 H new ATOM 0 HA MET A 66 -8.918 -3.020 -4.007 1.00 0.00 H new ATOM 0 HB2 MET A 66 -6.112 -2.494 -4.965 1.00 0.00 H new ATOM 0 HB3 MET A 66 -6.510 -2.106 -3.303 1.00 0.00 H new ATOM 0 HG2 MET A 66 -7.309 -4.455 -2.977 1.00 0.00 H new ATOM 0 HG3 MET A 66 -6.821 -4.827 -4.619 1.00 0.00 H new ATOM 0 HE1 MET A 66 -4.497 -5.021 -0.885 1.00 0.00 H new ATOM 0 HE2 MET A 66 -6.241 -4.985 -1.242 1.00 0.00 H new ATOM 0 HE3 MET A 66 -5.264 -6.395 -1.717 1.00 0.00 H new ATOM 1060 N ASP A 67 -9.396 -0.332 -5.055 1.00 0.00 N ATOM 1061 CA ASP A 67 -9.769 1.064 -4.865 1.00 0.00 C ATOM 1062 C ASP A 67 -11.264 1.199 -4.584 1.00 0.00 C ATOM 1063 O ASP A 67 -11.853 2.256 -4.809 1.00 0.00 O ATOM 1064 CB ASP A 67 -9.397 1.884 -6.102 1.00 0.00 C ATOM 1065 CG ASP A 67 -9.545 3.375 -5.871 1.00 0.00 C ATOM 1066 OD1 ASP A 67 -8.617 3.983 -5.296 1.00 0.00 O ATOM 1067 OD2 ASP A 67 -10.589 3.936 -6.266 1.00 0.00 O ATOM 0 H ASP A 67 -9.860 -0.790 -5.839 1.00 0.00 H new ATOM 0 HA ASP A 67 -9.221 1.445 -4.003 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -8.368 1.663 -6.385 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -10.029 1.584 -6.938 1.00 0.00 H new ATOM 1072 N ASN A 68 -11.873 0.124 -4.090 1.00 0.00 N ATOM 1073 CA ASN A 68 -13.298 0.126 -3.778 1.00 0.00 C ATOM 1074 C ASN A 68 -13.737 -1.227 -3.228 1.00 0.00 C ATOM 1075 O ASN A 68 -14.823 -1.713 -3.541 1.00 0.00 O ATOM 1076 CB ASN A 68 -14.116 0.472 -5.025 1.00 0.00 C ATOM 1077 CG ASN A 68 -13.814 -0.452 -6.187 1.00 0.00 C ATOM 1078 OD1 ASN A 68 -12.968 -0.153 -7.030 1.00 0.00 O ATOM 1079 ND2 ASN A 68 -14.507 -1.584 -6.240 1.00 0.00 N ATOM 0 H ASN A 68 -11.401 -0.759 -3.897 1.00 0.00 H new ATOM 0 HA ASN A 68 -13.475 0.884 -3.014 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -15.178 0.417 -4.787 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -13.908 1.501 -5.319 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -14.347 -2.245 -7.000 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -15.199 -1.793 -5.520 1.00 0.00 H new ATOM 1086 N VAL A 69 -12.883 -1.833 -2.407 1.00 0.00 N ATOM 1087 CA VAL A 69 -13.184 -3.130 -1.815 1.00 0.00 C ATOM 1088 C VAL A 69 -12.742 -3.186 -0.357 1.00 0.00 C ATOM 1089 O VAL A 69 -11.743 -2.576 0.023 1.00 0.00 O ATOM 1090 CB VAL A 69 -12.503 -4.274 -2.591 1.00 0.00 C ATOM 1091 CG1 VAL A 69 -13.215 -4.524 -3.911 1.00 0.00 C ATOM 1092 CG2 VAL A 69 -11.032 -3.960 -2.820 1.00 0.00 C ATOM 0 H VAL A 69 -11.979 -1.446 -2.138 1.00 0.00 H new ATOM 0 HA VAL A 69 -14.265 -3.258 -1.869 1.00 0.00 H new ATOM 0 HB VAL A 69 -12.569 -5.183 -1.994 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -12.719 -5.335 -4.444 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -14.253 -4.797 -3.719 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -13.184 -3.619 -4.518 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -10.567 -4.778 -3.369 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -10.942 -3.039 -3.396 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -10.532 -3.837 -1.859 1.00 0.00 H new ATOM 1102 N GLU A 70 -13.493 -3.923 0.455 1.00 0.00 N ATOM 1103 CA GLU A 70 -13.179 -4.062 1.872 1.00 0.00 C ATOM 1104 C GLU A 70 -11.874 -4.826 2.067 1.00 0.00 C ATOM 1105 O GLU A 70 -11.483 -5.631 1.223 1.00 0.00 O ATOM 1106 CB GLU A 70 -14.318 -4.778 2.601 1.00 0.00 C ATOM 1107 CG GLU A 70 -14.435 -4.398 4.068 1.00 0.00 C ATOM 1108 CD GLU A 70 -14.818 -5.573 4.945 1.00 0.00 C ATOM 1109 OE1 GLU A 70 -16.030 -5.853 5.068 1.00 0.00 O ATOM 1110 OE2 GLU A 70 -13.907 -6.216 5.509 1.00 0.00 O ATOM 0 H GLU A 70 -14.324 -4.433 0.155 1.00 0.00 H new ATOM 0 HA GLU A 70 -13.060 -3.063 2.292 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -15.259 -4.551 2.099 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -14.167 -5.855 2.524 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -13.485 -3.988 4.410 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -15.180 -3.610 4.177 1.00 0.00 H new ATOM 1117 N HIS A 71 -11.205 -4.570 3.188 1.00 0.00 N ATOM 1118 CA HIS A 71 -9.944 -5.233 3.497 1.00 0.00 C ATOM 1119 C HIS A 71 -10.096 -6.752 3.436 1.00 0.00 C ATOM 1120 O HIS A 71 -9.269 -7.446 2.846 1.00 0.00 O ATOM 1121 CB HIS A 71 -9.447 -4.814 4.881 1.00 0.00 C ATOM 1122 CG HIS A 71 -10.369 -5.210 5.993 1.00 0.00 C ATOM 1123 ND1 HIS A 71 -11.540 -4.539 6.274 1.00 0.00 N ATOM 1124 CD2 HIS A 71 -10.286 -6.214 6.897 1.00 0.00 C ATOM 1125 CE1 HIS A 71 -12.138 -5.113 7.303 1.00 0.00 C ATOM 1126 NE2 HIS A 71 -11.398 -6.132 7.699 1.00 0.00 N ATOM 0 H HIS A 71 -11.517 -3.907 3.898 1.00 0.00 H new ATOM 0 HA HIS A 71 -9.212 -4.929 2.749 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -8.467 -5.259 5.056 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -9.314 -3.732 4.898 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -9.493 -6.943 6.973 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -13.073 -4.802 7.745 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -11.617 -6.757 8.475 1.00 0.00 H new ATOM 1135 N ALA A 72 -11.160 -7.259 4.050 1.00 0.00 N ATOM 1136 CA ALA A 72 -11.421 -8.692 4.064 1.00 0.00 C ATOM 1137 C ALA A 72 -11.608 -9.229 2.649 1.00 0.00 C ATOM 1138 O ALA A 72 -11.140 -10.319 2.321 1.00 0.00 O ATOM 1139 CB ALA A 72 -12.647 -8.996 4.912 1.00 0.00 C ATOM 0 H ALA A 72 -11.854 -6.698 4.544 1.00 0.00 H new ATOM 0 HA ALA A 72 -10.556 -9.190 4.503 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -12.831 -10.070 4.914 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -12.477 -8.655 5.933 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -13.513 -8.480 4.497 1.00 0.00 H new ATOM 1145 N PHE A 73 -12.295 -8.454 1.815 1.00 0.00 N ATOM 1146 CA PHE A 73 -12.543 -8.850 0.434 1.00 0.00 C ATOM 1147 C PHE A 73 -11.240 -8.896 -0.359 1.00 0.00 C ATOM 1148 O PHE A 73 -11.053 -9.760 -1.216 1.00 0.00 O ATOM 1149 CB PHE A 73 -13.524 -7.881 -0.229 1.00 0.00 C ATOM 1150 CG PHE A 73 -14.959 -8.308 -0.112 1.00 0.00 C ATOM 1151 CD1 PHE A 73 -15.526 -8.548 1.129 1.00 0.00 C ATOM 1152 CD2 PHE A 73 -15.739 -8.473 -1.245 1.00 0.00 C ATOM 1153 CE1 PHE A 73 -16.846 -8.942 1.239 1.00 0.00 C ATOM 1154 CE2 PHE A 73 -17.060 -8.868 -1.142 1.00 0.00 C ATOM 1155 CZ PHE A 73 -17.615 -9.102 0.101 1.00 0.00 C ATOM 0 H PHE A 73 -12.689 -7.549 2.072 1.00 0.00 H new ATOM 0 HA PHE A 73 -12.980 -9.849 0.441 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -13.409 -6.895 0.221 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -13.268 -7.782 -1.284 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -14.929 -8.426 2.021 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -15.310 -8.291 -2.219 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -17.276 -9.125 2.213 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -17.658 -8.993 -2.033 1.00 0.00 H new ATOM 0 HZ PHE A 73 -18.647 -9.409 0.184 1.00 0.00 H new ATOM 1165 N ALA A 74 -10.342 -7.961 -0.066 1.00 0.00 N ATOM 1166 CA ALA A 74 -9.057 -7.895 -0.751 1.00 0.00 C ATOM 1167 C ALA A 74 -8.131 -9.015 -0.290 1.00 0.00 C ATOM 1168 O ALA A 74 -7.346 -9.548 -1.075 1.00 0.00 O ATOM 1169 CB ALA A 74 -8.405 -6.540 -0.518 1.00 0.00 C ATOM 0 H ALA A 74 -10.481 -7.239 0.641 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.235 -8.023 -1.819 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -7.446 -6.504 -1.035 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.054 -5.753 -0.902 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.247 -6.391 0.550 1.00 0.00 H new ATOM 1175 N VAL A 75 -8.225 -9.366 0.989 1.00 0.00 N ATOM 1176 CA VAL A 75 -7.393 -10.422 1.555 1.00 0.00 C ATOM 1177 C VAL A 75 -7.831 -11.796 1.058 1.00 0.00 C ATOM 1178 O VAL A 75 -7.020 -12.567 0.545 1.00 0.00 O ATOM 1179 CB VAL A 75 -7.437 -10.407 3.095 1.00 0.00 C ATOM 1180 CG1 VAL A 75 -6.451 -11.412 3.671 1.00 0.00 C ATOM 1181 CG2 VAL A 75 -7.155 -9.008 3.626 1.00 0.00 C ATOM 0 H VAL A 75 -8.869 -8.935 1.652 1.00 0.00 H new ATOM 0 HA VAL A 75 -6.372 -10.229 1.226 1.00 0.00 H new ATOM 0 HB VAL A 75 -8.439 -10.696 3.411 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.498 -11.385 4.760 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -6.705 -12.413 3.321 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.442 -11.159 3.345 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.191 -9.018 4.715 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.166 -8.687 3.298 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -7.906 -8.316 3.245 1.00 0.00 H new ATOM 1191 N GLN A 76 -9.115 -12.099 1.214 1.00 0.00 N ATOM 1192 CA GLN A 76 -9.657 -13.385 0.783 1.00 0.00 C ATOM 1193 C GLN A 76 -9.331 -13.652 -0.684 1.00 0.00 C ATOM 1194 O GLN A 76 -9.190 -14.802 -1.098 1.00 0.00 O ATOM 1195 CB GLN A 76 -11.171 -13.423 0.996 1.00 0.00 C ATOM 1196 CG GLN A 76 -11.921 -12.345 0.232 1.00 0.00 C ATOM 1197 CD GLN A 76 -13.068 -12.900 -0.591 1.00 0.00 C ATOM 1198 OE1 GLN A 76 -12.857 -13.657 -1.539 1.00 0.00 O ATOM 1199 NE2 GLN A 76 -14.290 -12.525 -0.232 1.00 0.00 N ATOM 0 H GLN A 76 -9.801 -11.473 1.636 1.00 0.00 H new ATOM 0 HA GLN A 76 -9.193 -14.165 1.387 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -11.548 -14.400 0.693 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -11.382 -13.316 2.060 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -12.308 -11.609 0.937 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -11.227 -11.822 -0.426 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -14.418 -11.896 0.561 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -15.101 -12.866 -0.749 1.00 0.00 H new ATOM 1208 N GLN A 77 -9.211 -12.583 -1.465 1.00 0.00 N ATOM 1209 CA GLN A 77 -8.900 -12.706 -2.885 1.00 0.00 C ATOM 1210 C GLN A 77 -7.449 -13.130 -3.088 1.00 0.00 C ATOM 1211 O GLN A 77 -7.165 -14.074 -3.823 1.00 0.00 O ATOM 1212 CB GLN A 77 -9.167 -11.382 -3.603 1.00 0.00 C ATOM 1213 CG GLN A 77 -10.472 -11.366 -4.383 1.00 0.00 C ATOM 1214 CD GLN A 77 -11.245 -10.075 -4.201 1.00 0.00 C ATOM 1215 OE1 GLN A 77 -10.689 -9.057 -3.791 1.00 0.00 O ATOM 1216 NE2 GLN A 77 -12.537 -10.112 -4.505 1.00 0.00 N ATOM 0 H GLN A 77 -9.324 -11.623 -1.139 1.00 0.00 H new ATOM 0 HA GLN A 77 -9.545 -13.475 -3.310 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -9.182 -10.577 -2.869 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -8.343 -11.176 -4.286 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -10.260 -11.512 -5.442 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -11.092 -12.204 -4.064 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -12.957 -10.978 -4.842 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -13.109 -9.274 -4.402 1.00 0.00 H new ATOM 1225 N LEU A 78 -6.533 -12.425 -2.429 1.00 0.00 N ATOM 1226 CA LEU A 78 -5.111 -12.732 -2.538 1.00 0.00 C ATOM 1227 C LEU A 78 -4.773 -14.016 -1.788 1.00 0.00 C ATOM 1228 O LEU A 78 -3.863 -14.750 -2.173 1.00 0.00 O ATOM 1229 CB LEU A 78 -4.269 -11.571 -2.000 1.00 0.00 C ATOM 1230 CG LEU A 78 -4.573 -11.152 -0.559 1.00 0.00 C ATOM 1231 CD1 LEU A 78 -4.005 -12.163 0.427 1.00 0.00 C ATOM 1232 CD2 LEU A 78 -4.013 -9.765 -0.282 1.00 0.00 C ATOM 0 H LEU A 78 -6.750 -11.639 -1.816 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.877 -12.877 -3.593 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -3.216 -11.847 -2.066 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -4.414 -10.708 -2.650 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.655 -11.122 -0.431 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -4.232 -11.846 1.445 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -4.451 -13.140 0.243 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.924 -12.228 0.300 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.237 -9.481 0.746 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.933 -9.773 -0.429 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.467 -9.046 -0.964 1.00 0.00 H new ATOM 1244 N ARG A 79 -5.514 -14.281 -0.718 1.00 0.00 N ATOM 1245 CA ARG A 79 -5.297 -15.478 0.087 1.00 0.00 C ATOM 1246 C ARG A 79 -5.646 -16.736 -0.702 1.00 0.00 C ATOM 1247 O ARG A 79 -5.133 -17.819 -0.421 1.00 0.00 O ATOM 1248 CB ARG A 79 -6.135 -15.416 1.366 1.00 0.00 C ATOM 1249 CG ARG A 79 -5.482 -16.096 2.557 1.00 0.00 C ATOM 1250 CD ARG A 79 -6.323 -15.942 3.815 1.00 0.00 C ATOM 1251 NE ARG A 79 -5.556 -16.225 5.025 1.00 0.00 N ATOM 1252 CZ ARG A 79 -5.303 -17.452 5.474 1.00 0.00 C ATOM 1253 NH1 ARG A 79 -5.753 -18.513 4.815 1.00 0.00 N ATOM 1254 NH2 ARG A 79 -4.598 -17.619 6.585 1.00 0.00 N ATOM 0 H ARG A 79 -6.271 -13.683 -0.387 1.00 0.00 H new ATOM 0 HA ARG A 79 -4.241 -15.520 0.353 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -6.326 -14.372 1.615 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -7.103 -15.881 1.179 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -5.340 -17.155 2.340 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -4.493 -15.669 2.724 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -6.717 -14.927 3.865 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -7.179 -16.615 3.763 1.00 0.00 H new ATOM 0 HE ARG A 79 -5.192 -15.435 5.558 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -6.296 -18.390 3.960 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -5.556 -19.451 5.164 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -4.250 -16.807 7.095 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -4.404 -18.559 6.929 1.00 0.00 H new ATOM 1268 N LYS A 80 -6.523 -16.585 -1.691 1.00 0.00 N ATOM 1269 CA LYS A 80 -6.942 -17.709 -2.519 1.00 0.00 C ATOM 1270 C LYS A 80 -5.769 -18.273 -3.317 1.00 0.00 C ATOM 1271 O LYS A 80 -5.766 -19.447 -3.685 1.00 0.00 O ATOM 1272 CB LYS A 80 -8.058 -17.276 -3.472 1.00 0.00 C ATOM 1273 CG LYS A 80 -8.694 -18.430 -4.229 1.00 0.00 C ATOM 1274 CD LYS A 80 -9.638 -19.228 -3.344 1.00 0.00 C ATOM 1275 CE LYS A 80 -9.027 -20.556 -2.929 1.00 0.00 C ATOM 1276 NZ LYS A 80 -8.931 -21.505 -4.073 1.00 0.00 N ATOM 0 H LYS A 80 -6.956 -15.695 -1.937 1.00 0.00 H new ATOM 0 HA LYS A 80 -7.315 -18.492 -1.859 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -8.829 -16.757 -2.903 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -7.655 -16.561 -4.189 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -9.240 -18.044 -5.090 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -7.914 -19.086 -4.615 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -9.884 -18.646 -2.455 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -10.572 -19.407 -3.876 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -8.033 -20.385 -2.515 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -9.630 -21.001 -2.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -8.805 -22.472 -3.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -9.803 -21.457 -4.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -8.118 -21.249 -4.669 1.00 0.00 H new ATOM 1290 N SER A 81 -4.772 -17.431 -3.582 1.00 0.00 N ATOM 1291 CA SER A 81 -3.597 -17.852 -4.337 1.00 0.00 C ATOM 1292 C SER A 81 -2.952 -19.083 -3.706 1.00 0.00 C ATOM 1293 O SER A 81 -3.146 -20.205 -4.174 1.00 0.00 O ATOM 1294 CB SER A 81 -2.580 -16.710 -4.416 1.00 0.00 C ATOM 1295 OG SER A 81 -3.044 -15.672 -5.263 1.00 0.00 O ATOM 0 H SER A 81 -4.756 -16.455 -3.285 1.00 0.00 H new ATOM 0 HA SER A 81 -3.919 -18.113 -5.345 1.00 0.00 H new ATOM 0 HB2 SER A 81 -2.395 -16.314 -3.418 1.00 0.00 H new ATOM 0 HB3 SER A 81 -1.629 -17.091 -4.789 1.00 0.00 H new ATOM 0 HG SER A 81 -2.418 -15.553 -6.008 1.00 0.00 H new ATOM 1301 N GLY A 82 -2.184 -18.868 -2.642 1.00 0.00 N ATOM 1302 CA GLY A 82 -1.525 -19.972 -1.969 1.00 0.00 C ATOM 1303 C GLY A 82 -0.130 -20.238 -2.502 1.00 0.00 C ATOM 1304 O GLY A 82 0.681 -20.886 -1.840 1.00 0.00 O ATOM 0 H GLY A 82 -2.007 -17.950 -2.235 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -1.466 -19.758 -0.902 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -2.129 -20.872 -2.081 1.00 0.00 H new ATOM 1308 N LYS A 83 0.154 -19.739 -3.702 1.00 0.00 N ATOM 1309 CA LYS A 83 1.460 -19.931 -4.321 1.00 0.00 C ATOM 1310 C LYS A 83 1.617 -19.037 -5.548 1.00 0.00 C ATOM 1311 O LYS A 83 2.301 -19.398 -6.506 1.00 0.00 O ATOM 1312 CB LYS A 83 1.648 -21.396 -4.717 1.00 0.00 C ATOM 1313 CG LYS A 83 3.106 -21.821 -4.805 1.00 0.00 C ATOM 1314 CD LYS A 83 3.512 -22.686 -3.619 1.00 0.00 C ATOM 1315 CE LYS A 83 3.954 -24.074 -4.057 1.00 0.00 C ATOM 1316 NZ LYS A 83 5.361 -24.358 -3.663 1.00 0.00 N ATOM 0 H LYS A 83 -0.504 -19.199 -4.264 1.00 0.00 H new ATOM 0 HA LYS A 83 2.224 -19.657 -3.593 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.137 -22.028 -3.991 1.00 0.00 H new ATOM 0 HB3 LYS A 83 1.170 -21.567 -5.681 1.00 0.00 H new ATOM 0 HG2 LYS A 83 3.269 -22.373 -5.731 1.00 0.00 H new ATOM 0 HG3 LYS A 83 3.741 -20.936 -4.845 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.323 -22.201 -3.076 1.00 0.00 H new ATOM 0 HD3 LYS A 83 2.673 -22.773 -2.928 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.295 -24.821 -3.615 1.00 0.00 H new ATOM 0 HE3 LYS A 83 3.855 -24.162 -5.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 5.624 -25.313 -3.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 5.993 -23.660 -4.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 5.450 -24.299 -2.629 1.00 0.00 H new ATOM 1330 N ASN A 84 0.978 -17.871 -5.513 1.00 0.00 N ATOM 1331 CA ASN A 84 1.046 -16.924 -6.622 1.00 0.00 C ATOM 1332 C ASN A 84 0.122 -15.734 -6.380 1.00 0.00 C ATOM 1333 O ASN A 84 -0.932 -15.615 -7.006 1.00 0.00 O ATOM 1334 CB ASN A 84 0.673 -17.612 -7.939 1.00 0.00 C ATOM 1335 CG ASN A 84 -0.572 -18.467 -7.814 1.00 0.00 C ATOM 1336 OD1 ASN A 84 -0.533 -19.564 -7.256 1.00 0.00 O ATOM 1337 ND2 ASN A 84 -1.687 -17.969 -8.336 1.00 0.00 N ATOM 0 H ASN A 84 0.407 -17.559 -4.728 1.00 0.00 H new ATOM 0 HA ASN A 84 2.071 -16.560 -6.689 1.00 0.00 H new ATOM 0 HB2 ASN A 84 0.515 -16.856 -8.708 1.00 0.00 H new ATOM 0 HB3 ASN A 84 1.505 -18.234 -8.269 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -2.556 -18.500 -8.283 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -1.674 -17.055 -8.790 1.00 0.00 H new ATOM 1344 N ALA A 85 0.524 -14.854 -5.470 1.00 0.00 N ATOM 1345 CA ALA A 85 -0.267 -13.672 -5.148 1.00 0.00 C ATOM 1346 C ALA A 85 0.352 -12.420 -5.762 1.00 0.00 C ATOM 1347 O ALA A 85 1.372 -11.923 -5.286 1.00 0.00 O ATOM 1348 CB ALA A 85 -0.393 -13.516 -3.640 1.00 0.00 C ATOM 0 H ALA A 85 1.393 -14.937 -4.942 1.00 0.00 H new ATOM 0 HA ALA A 85 -1.263 -13.802 -5.572 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -0.986 -12.630 -3.414 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -0.883 -14.396 -3.223 1.00 0.00 H new ATOM 0 HB3 ALA A 85 0.599 -13.410 -3.201 1.00 0.00 H new ATOM 1354 N LYS A 86 -0.270 -11.917 -6.825 1.00 0.00 N ATOM 1355 CA LYS A 86 0.227 -10.726 -7.504 1.00 0.00 C ATOM 1356 C LYS A 86 -0.483 -9.471 -7.004 1.00 0.00 C ATOM 1357 O LYS A 86 -1.694 -9.476 -6.781 1.00 0.00 O ATOM 1358 CB LYS A 86 0.055 -10.866 -9.021 1.00 0.00 C ATOM 1359 CG LYS A 86 -1.342 -10.524 -9.518 1.00 0.00 C ATOM 1360 CD LYS A 86 -1.690 -11.294 -10.781 1.00 0.00 C ATOM 1361 CE LYS A 86 -2.542 -10.461 -11.724 1.00 0.00 C ATOM 1362 NZ LYS A 86 -2.589 -11.045 -13.093 1.00 0.00 N ATOM 0 H LYS A 86 -1.116 -12.315 -7.233 1.00 0.00 H new ATOM 0 HA LYS A 86 1.289 -10.627 -7.277 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.776 -10.218 -9.520 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.292 -11.890 -9.311 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -2.071 -10.751 -8.740 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -1.407 -9.454 -9.714 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -0.774 -11.597 -11.288 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.224 -12.207 -10.517 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -3.554 -10.385 -11.327 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.143 -9.448 -11.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -3.180 -10.447 -13.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -1.626 -11.094 -13.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -2.994 -12.002 -13.049 1.00 0.00 H new ATOM 1376 N ILE A 87 0.282 -8.399 -6.835 1.00 0.00 N ATOM 1377 CA ILE A 87 -0.268 -7.133 -6.365 1.00 0.00 C ATOM 1378 C ILE A 87 0.182 -5.978 -7.252 1.00 0.00 C ATOM 1379 O ILE A 87 1.364 -5.855 -7.577 1.00 0.00 O ATOM 1380 CB ILE A 87 0.149 -6.844 -4.911 1.00 0.00 C ATOM 1381 CG1 ILE A 87 -0.130 -8.060 -4.025 1.00 0.00 C ATOM 1382 CG2 ILE A 87 -0.581 -5.618 -4.383 1.00 0.00 C ATOM 1383 CD1 ILE A 87 0.963 -9.104 -4.070 1.00 0.00 C ATOM 0 H ILE A 87 1.286 -8.381 -7.017 1.00 0.00 H new ATOM 0 HA ILE A 87 -1.353 -7.222 -6.411 1.00 0.00 H new ATOM 0 HB ILE A 87 1.220 -6.641 -4.890 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -0.261 -7.727 -2.995 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.070 -8.517 -4.334 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -0.275 -5.427 -3.354 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -0.335 -4.754 -5.001 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -1.656 -5.793 -4.415 1.00 0.00 H new ATOM 0 HD11 ILE A 87 0.698 -9.937 -3.418 1.00 0.00 H new ATOM 0 HD12 ILE A 87 1.079 -9.465 -5.092 1.00 0.00 H new ATOM 0 HD13 ILE A 87 1.901 -8.663 -3.732 1.00 0.00 H new ATOM 1395 N THR A 88 -0.767 -5.132 -7.640 1.00 0.00 N ATOM 1396 CA THR A 88 -0.467 -3.984 -8.487 1.00 0.00 C ATOM 1397 C THR A 88 -0.326 -2.716 -7.652 1.00 0.00 C ATOM 1398 O THR A 88 -1.269 -2.292 -6.983 1.00 0.00 O ATOM 1399 CB THR A 88 -1.561 -3.799 -9.539 1.00 0.00 C ATOM 1400 OG1 THR A 88 -1.918 -5.043 -10.115 1.00 0.00 O ATOM 1401 CG2 THR A 88 -1.160 -2.870 -10.663 1.00 0.00 C ATOM 0 H THR A 88 -1.750 -5.220 -7.381 1.00 0.00 H new ATOM 0 HA THR A 88 0.481 -4.173 -8.991 1.00 0.00 H new ATOM 0 HB THR A 88 -2.402 -3.355 -9.006 1.00 0.00 H new ATOM 0 HG1 THR A 88 -2.362 -4.890 -10.975 1.00 0.00 H new ATOM 0 HG21 THR A 88 -1.982 -2.783 -11.374 1.00 0.00 H new ATOM 0 HG22 THR A 88 -0.927 -1.886 -10.256 1.00 0.00 H new ATOM 0 HG23 THR A 88 -0.282 -3.270 -11.170 1.00 0.00 H new ATOM 1409 N ILE A 89 0.859 -2.115 -7.696 1.00 0.00 N ATOM 1410 CA ILE A 89 1.124 -0.897 -6.942 1.00 0.00 C ATOM 1411 C ILE A 89 1.655 0.206 -7.850 1.00 0.00 C ATOM 1412 O ILE A 89 2.094 -0.054 -8.969 1.00 0.00 O ATOM 1413 CB ILE A 89 2.136 -1.144 -5.807 1.00 0.00 C ATOM 1414 CG1 ILE A 89 3.350 -1.915 -6.330 1.00 0.00 C ATOM 1415 CG2 ILE A 89 1.474 -1.900 -4.665 1.00 0.00 C ATOM 1416 CD1 ILE A 89 4.276 -1.078 -7.185 1.00 0.00 C ATOM 0 H ILE A 89 1.649 -2.452 -8.246 1.00 0.00 H new ATOM 0 HA ILE A 89 0.175 -0.583 -6.508 1.00 0.00 H new ATOM 0 HB ILE A 89 2.479 -0.180 -5.431 1.00 0.00 H new ATOM 0 HG12 ILE A 89 3.910 -2.312 -5.483 1.00 0.00 H new ATOM 0 HG13 ILE A 89 3.004 -2.769 -6.912 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.201 -2.068 -3.870 1.00 0.00 H new ATOM 0 HG22 ILE A 89 0.640 -1.315 -4.277 1.00 0.00 H new ATOM 0 HG23 ILE A 89 1.106 -2.860 -5.029 1.00 0.00 H new ATOM 0 HD11 ILE A 89 5.114 -1.690 -7.520 1.00 0.00 H new ATOM 0 HD12 ILE A 89 3.731 -0.702 -8.051 1.00 0.00 H new ATOM 0 HD13 ILE A 89 4.651 -0.238 -6.600 1.00 0.00 H new ATOM 1428 N ARG A 90 1.612 1.441 -7.358 1.00 0.00 N ATOM 1429 CA ARG A 90 2.089 2.582 -8.129 1.00 0.00 C ATOM 1430 C ARG A 90 2.964 3.494 -7.276 1.00 0.00 C ATOM 1431 O ARG A 90 2.662 3.755 -6.110 1.00 0.00 O ATOM 1432 CB ARG A 90 0.910 3.375 -8.702 1.00 0.00 C ATOM 1433 CG ARG A 90 -0.285 3.461 -7.765 1.00 0.00 C ATOM 1434 CD ARG A 90 -1.315 2.387 -8.079 1.00 0.00 C ATOM 1435 NE ARG A 90 -2.417 2.904 -8.885 1.00 0.00 N ATOM 1436 CZ ARG A 90 -3.357 3.724 -8.420 1.00 0.00 C ATOM 1437 NH1 ARG A 90 -3.330 4.126 -7.156 1.00 0.00 N ATOM 1438 NH2 ARG A 90 -4.325 4.145 -9.222 1.00 0.00 N ATOM 0 H ARG A 90 1.253 1.675 -6.432 1.00 0.00 H new ATOM 0 HA ARG A 90 2.692 2.199 -8.952 1.00 0.00 H new ATOM 0 HB2 ARG A 90 1.245 4.384 -8.942 1.00 0.00 H new ATOM 0 HB3 ARG A 90 0.594 2.913 -9.637 1.00 0.00 H new ATOM 0 HG2 ARG A 90 0.051 3.354 -6.734 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -0.746 4.445 -7.850 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -0.832 1.566 -8.609 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -1.708 1.978 -7.148 1.00 0.00 H new ATOM 0 HE ARG A 90 -2.470 2.620 -9.863 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -2.586 3.807 -6.535 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -4.053 4.754 -6.805 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -4.350 3.841 -10.195 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -5.045 4.773 -8.866 1.00 0.00 H new ATOM 1452 N ARG A 91 4.051 3.974 -7.872 1.00 0.00 N ATOM 1453 CA ARG A 91 4.982 4.861 -7.181 1.00 0.00 C ATOM 1454 C ARG A 91 5.617 5.843 -8.161 1.00 0.00 C ATOM 1455 O ARG A 91 5.754 5.549 -9.348 1.00 0.00 O ATOM 1456 CB ARG A 91 6.073 4.051 -6.468 1.00 0.00 C ATOM 1457 CG ARG A 91 6.232 2.628 -6.986 1.00 0.00 C ATOM 1458 CD ARG A 91 6.756 2.607 -8.413 1.00 0.00 C ATOM 1459 NE ARG A 91 8.095 3.183 -8.515 1.00 0.00 N ATOM 1460 CZ ARG A 91 9.211 2.522 -8.218 1.00 0.00 C ATOM 1461 NH1 ARG A 91 9.155 1.263 -7.799 1.00 0.00 N ATOM 1462 NH2 ARG A 91 10.388 3.120 -8.339 1.00 0.00 N ATOM 0 H ARG A 91 4.310 3.763 -8.836 1.00 0.00 H new ATOM 0 HA ARG A 91 4.421 5.424 -6.435 1.00 0.00 H new ATOM 0 HB2 ARG A 91 7.024 4.573 -6.573 1.00 0.00 H new ATOM 0 HB3 ARG A 91 5.845 4.015 -5.403 1.00 0.00 H new ATOM 0 HG2 ARG A 91 6.916 2.079 -6.339 1.00 0.00 H new ATOM 0 HG3 ARG A 91 5.271 2.115 -6.943 1.00 0.00 H new ATOM 0 HD2 ARG A 91 6.775 1.580 -8.777 1.00 0.00 H new ATOM 0 HD3 ARG A 91 6.073 3.161 -9.058 1.00 0.00 H new ATOM 0 HE ARG A 91 8.179 4.149 -8.833 1.00 0.00 H new ATOM 0 HH11 ARG A 91 8.253 0.797 -7.703 1.00 0.00 H new ATOM 0 HH12 ARG A 91 10.014 0.762 -7.573 1.00 0.00 H new ATOM 0 HH21 ARG A 91 10.438 4.087 -8.660 1.00 0.00 H new ATOM 0 HH22 ARG A 91 11.243 2.613 -8.111 1.00 0.00 H new