USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 641 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 59 ASN : amide:sc= -1.09 K(o=-1.2,f=-6.5!) USER MOD Set 1.2: A 62 ASN : amide:sc= -0.133 K(o=-1.2,f=-3.7) USER MOD Set 2.1: A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 47 SER OG : rot 180:sc= 0 USER MOD Set 2.3: A 49 HIS :FLIP no HD1:sc= -0.348 F(o=-0.98,f=-0.35) USER MOD Set 3.1: A 39 LYS NZ :NH3+ -146:sc= 0.66 (180deg=-0.108) USER MOD Set 3.2: A 40 TYR OH : rot -153:sc= 1.09 USER MOD Set 4.1: A 16 SER OG : rot -38:sc= 0.051 USER MOD Set 4.2: A 56 GLN : amide:sc= 0.204 K(o=0.26,f=-3.4!) USER MOD Single : A 4 ASN : amide:sc= -0.0406 X(o=-0.041,f=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -0.219 K(o=-0.22,f=-2.7!) USER MOD Single : A 22 ASN : amide:sc= 0.898 K(o=0.9,f=-1.4) USER MOD Single : A 24 ASN : amide:sc= -0.457 X(o=-0.46,f=-0.57) USER MOD Single : A 25 THR OG1 : rot -7:sc= 0.817 USER MOD Single : A 29 LYS NZ :NH3+ 177:sc= 0.923 (180deg=0.916) USER MOD Single : A 31 SER OG : rot 180:sc= 0.00329 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 CYS SG : rot 28:sc= -0.662 USER MOD Single : A 50 LYS NZ :NH3+ 169:sc=-0.00365 (180deg=-0.119) USER MOD Single : A 57 TYR OH : rot -22:sc= -0.829 USER MOD Single : A 74 MET CE :methyl -170:sc= -1.07 (180deg=-1.16) USER MOD Single : A 78 GLN :FLIP amide:sc= -0.0808 F(o=-0.83,f=-0.081) USER MOD Single : A 83 ASN : amide:sc= 0.267 X(o=0.27,f=-0.2) USER MOD Single : A 98 LYS NZ :NH3+ 171:sc= 0.52 (180deg=0.402) USER MOD Single : A 100 SER OG : rot -31:sc= 0.0504 USER MOD Single : A 104 MET CE :methyl -168:sc= -0.0029 (180deg=-0.234) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 24 N ASN A 4 9.848 10.233 0.521 1.00 0.00 N ATOM 25 CA ASN A 4 9.845 9.333 1.667 1.00 0.00 C ATOM 26 C ASN A 4 8.597 9.541 2.528 1.00 0.00 C ATOM 27 O ASN A 4 8.444 8.890 3.560 1.00 0.00 O ATOM 28 CB ASN A 4 11.130 9.544 2.473 1.00 0.00 C ATOM 29 CG ASN A 4 11.257 10.981 2.970 1.00 0.00 C ATOM 30 OD1 ASN A 4 11.849 11.824 2.304 1.00 0.00 O ATOM 31 ND2 ASN A 4 10.704 11.277 4.142 1.00 0.00 N ATOM 0 HA ASN A 4 9.815 8.301 1.317 1.00 0.00 H new ATOM 0 HB2 ASN A 4 11.142 8.863 3.324 1.00 0.00 H new ATOM 0 HB3 ASN A 4 11.992 9.296 1.854 1.00 0.00 H new ATOM 0 HD21 ASN A 4 10.766 12.226 4.510 1.00 0.00 H new ATOM 0 HD22 ASN A 4 10.218 10.555 4.674 1.00 0.00 H new ATOM 38 N VAL A 5 7.704 10.442 2.108 1.00 0.00 N ATOM 39 CA VAL A 5 6.506 10.786 2.862 1.00 0.00 C ATOM 40 C VAL A 5 5.294 10.014 2.351 1.00 0.00 C ATOM 41 O VAL A 5 5.095 9.898 1.141 1.00 0.00 O ATOM 42 CB VAL A 5 6.287 12.300 2.806 1.00 0.00 C ATOM 43 CG1 VAL A 5 5.020 12.718 3.552 1.00 0.00 C ATOM 44 CG2 VAL A 5 7.471 13.015 3.453 1.00 0.00 C ATOM 0 H VAL A 5 7.797 10.953 1.230 1.00 0.00 H new ATOM 0 HA VAL A 5 6.641 10.497 3.904 1.00 0.00 H new ATOM 0 HB VAL A 5 6.188 12.574 1.756 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.901 13.800 3.489 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.155 12.230 3.102 1.00 0.00 H new ATOM 0 HG13 VAL A 5 5.099 12.422 4.598 1.00 0.00 H new ATOM 0 HG21 VAL A 5 7.312 14.093 3.412 1.00 0.00 H new ATOM 0 HG22 VAL A 5 7.561 12.701 4.493 1.00 0.00 H new ATOM 0 HG23 VAL A 5 8.386 12.762 2.917 1.00 0.00 H new ATOM 54 N THR A 6 4.481 9.493 3.277 1.00 0.00 N ATOM 55 CA THR A 6 3.283 8.723 2.956 1.00 0.00 C ATOM 56 C THR A 6 2.170 8.942 3.979 1.00 0.00 C ATOM 57 O THR A 6 1.124 8.309 3.877 1.00 0.00 O ATOM 58 CB THR A 6 3.599 7.226 2.885 1.00 0.00 C ATOM 59 OG1 THR A 6 4.200 6.797 4.087 1.00 0.00 O ATOM 60 CG2 THR A 6 4.543 6.895 1.731 1.00 0.00 C ATOM 0 H THR A 6 4.641 9.597 4.279 1.00 0.00 H new ATOM 0 HA THR A 6 2.939 9.076 1.984 1.00 0.00 H new ATOM 0 HB THR A 6 2.652 6.710 2.724 1.00 0.00 H new ATOM 0 HG1 THR A 6 4.396 5.838 4.031 1.00 0.00 H new ATOM 0 HG21 THR A 6 4.740 5.823 1.718 1.00 0.00 H new ATOM 0 HG22 THR A 6 4.083 7.191 0.788 1.00 0.00 H new ATOM 0 HG23 THR A 6 5.481 7.435 1.862 1.00 0.00 H new ATOM 68 N ASN A 7 2.357 9.818 4.969 1.00 0.00 N ATOM 69 CA ASN A 7 1.336 10.029 5.984 1.00 0.00 C ATOM 70 C ASN A 7 0.536 11.298 5.684 1.00 0.00 C ATOM 71 O ASN A 7 1.042 12.412 5.831 1.00 0.00 O ATOM 72 CB ASN A 7 1.996 10.047 7.368 1.00 0.00 C ATOM 73 CG ASN A 7 0.981 10.055 8.500 1.00 0.00 C ATOM 74 OD1 ASN A 7 -0.216 10.229 8.285 1.00 0.00 O ATOM 75 ND2 ASN A 7 1.462 9.862 9.724 1.00 0.00 N ATOM 0 H ASN A 7 3.198 10.384 5.085 1.00 0.00 H new ATOM 0 HA ASN A 7 0.618 9.209 5.974 1.00 0.00 H new ATOM 0 HB2 ASN A 7 2.641 9.175 7.470 1.00 0.00 H new ATOM 0 HB3 ASN A 7 2.634 10.927 7.451 1.00 0.00 H new ATOM 0 HD21 ASN A 7 0.830 9.855 10.525 1.00 0.00 H new ATOM 0 HD22 ASN A 7 2.463 9.721 9.862 1.00 0.00 H new ATOM 210 N SER A 16 -5.742 7.621 -2.081 1.00 0.00 N ATOM 211 CA SER A 16 -4.754 7.350 -3.115 1.00 0.00 C ATOM 212 C SER A 16 -3.539 6.637 -2.520 1.00 0.00 C ATOM 213 O SER A 16 -2.608 6.291 -3.242 1.00 0.00 O ATOM 214 CB SER A 16 -4.354 8.655 -3.798 1.00 0.00 C ATOM 215 OG SER A 16 -3.733 9.517 -2.870 1.00 0.00 O ATOM 0 HA SER A 16 -5.188 6.689 -3.865 1.00 0.00 H new ATOM 0 HB2 SER A 16 -3.675 8.448 -4.625 1.00 0.00 H new ATOM 0 HB3 SER A 16 -5.235 9.138 -4.222 1.00 0.00 H new ATOM 0 HG SER A 16 -4.184 9.444 -2.003 1.00 0.00 H new ATOM 221 N ARG A 17 -3.546 6.413 -1.200 1.00 0.00 N ATOM 222 CA ARG A 17 -2.492 5.678 -0.524 1.00 0.00 C ATOM 223 C ARG A 17 -2.874 4.208 -0.429 1.00 0.00 C ATOM 224 O ARG A 17 -4.055 3.870 -0.358 1.00 0.00 O ATOM 225 CB ARG A 17 -2.241 6.270 0.863 1.00 0.00 C ATOM 226 CG ARG A 17 -1.066 5.556 1.527 1.00 0.00 C ATOM 227 CD ARG A 17 -0.522 6.354 2.701 1.00 0.00 C ATOM 228 NE ARG A 17 -1.534 6.592 3.732 1.00 0.00 N ATOM 229 CZ ARG A 17 -2.135 7.767 3.931 1.00 0.00 C ATOM 230 NH1 ARG A 17 -1.869 8.815 3.155 1.00 0.00 N ATOM 231 NH2 ARG A 17 -3.011 7.900 4.918 1.00 0.00 N ATOM 0 H ARG A 17 -4.286 6.740 -0.579 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.568 5.760 -1.097 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -2.030 7.336 0.780 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -3.135 6.168 1.479 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.384 4.572 1.871 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.274 5.398 0.795 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.321 5.820 3.140 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -0.142 7.310 2.342 1.00 0.00 H new ATOM 0 HE ARG A 17 -1.796 5.812 4.335 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -1.196 8.728 2.393 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -2.338 9.705 3.322 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -3.223 7.106 5.522 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -3.472 8.796 5.073 1.00 0.00 H new ATOM 245 N VAL A 18 -1.863 3.339 -0.428 1.00 0.00 N ATOM 246 CA VAL A 18 -2.050 1.906 -0.306 1.00 0.00 C ATOM 247 C VAL A 18 -1.212 1.380 0.846 1.00 0.00 C ATOM 248 O VAL A 18 -0.015 1.644 0.935 1.00 0.00 O ATOM 249 CB VAL A 18 -1.695 1.212 -1.618 1.00 0.00 C ATOM 250 CG1 VAL A 18 -1.844 -0.303 -1.490 1.00 0.00 C ATOM 251 CG2 VAL A 18 -2.640 1.711 -2.707 1.00 0.00 C ATOM 0 H VAL A 18 -0.886 3.619 -0.513 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.097 1.692 -0.094 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.659 1.441 -1.869 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.586 -0.775 -2.438 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.178 -0.669 -0.708 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.875 -0.547 -1.232 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.397 1.223 -3.651 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -3.668 1.477 -2.431 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.530 2.790 -2.818 1.00 0.00 H new ATOM 261 N PHE A 19 -1.868 0.629 1.726 1.00 0.00 N ATOM 262 CA PHE A 19 -1.238 -0.041 2.846 1.00 0.00 C ATOM 263 C PHE A 19 -0.774 -1.423 2.400 1.00 0.00 C ATOM 264 O PHE A 19 -1.526 -2.152 1.750 1.00 0.00 O ATOM 265 CB PHE A 19 -2.253 -0.111 3.987 1.00 0.00 C ATOM 266 CG PHE A 19 -1.787 -0.893 5.191 1.00 0.00 C ATOM 267 CD1 PHE A 19 -0.564 -0.589 5.807 1.00 0.00 C ATOM 268 CD2 PHE A 19 -2.589 -1.929 5.692 1.00 0.00 C ATOM 269 CE1 PHE A 19 -0.144 -1.322 6.926 1.00 0.00 C ATOM 270 CE2 PHE A 19 -2.166 -2.663 6.806 1.00 0.00 C ATOM 271 CZ PHE A 19 -0.944 -2.359 7.424 1.00 0.00 C ATOM 0 H PHE A 19 -2.874 0.469 1.674 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.360 0.501 3.199 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.498 0.904 4.301 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -3.173 -0.560 3.612 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.053 0.208 5.420 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.532 -2.160 5.219 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.796 -1.087 7.404 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -2.781 -3.464 7.190 1.00 0.00 H new ATOM 0 HZ PHE A 19 -0.619 -2.925 8.285 1.00 0.00 H new ATOM 281 N ILE A 20 0.463 -1.786 2.749 1.00 0.00 N ATOM 282 CA ILE A 20 1.050 -3.066 2.385 1.00 0.00 C ATOM 283 C ILE A 20 1.427 -3.789 3.672 1.00 0.00 C ATOM 284 O ILE A 20 2.567 -3.724 4.122 1.00 0.00 O ATOM 285 CB ILE A 20 2.260 -2.854 1.462 1.00 0.00 C ATOM 286 CG1 ILE A 20 1.841 -2.138 0.174 1.00 0.00 C ATOM 287 CG2 ILE A 20 2.924 -4.193 1.108 1.00 0.00 C ATOM 288 CD1 ILE A 20 3.048 -1.533 -0.542 1.00 0.00 C ATOM 0 H ILE A 20 1.085 -1.191 3.296 1.00 0.00 H new ATOM 0 HA ILE A 20 0.340 -3.678 1.829 1.00 0.00 H new ATOM 0 HB ILE A 20 2.978 -2.235 1.999 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.337 -2.842 -0.489 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.123 -1.352 0.409 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.777 -4.014 0.454 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.263 -4.684 2.020 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.204 -4.833 0.598 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.718 -1.032 -1.452 1.00 0.00 H new ATOM 0 HD12 ILE A 20 3.535 -0.811 0.113 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.753 -2.324 -0.799 1.00 0.00 H new ATOM 300 N GLY A 21 0.452 -4.479 4.258 1.00 0.00 N ATOM 301 CA GLY A 21 0.658 -5.247 5.471 1.00 0.00 C ATOM 302 C GLY A 21 1.215 -6.628 5.152 1.00 0.00 C ATOM 303 O GLY A 21 1.326 -7.011 3.986 1.00 0.00 O ATOM 0 H GLY A 21 -0.502 -4.518 3.900 1.00 0.00 H new ATOM 0 HA2 GLY A 21 1.346 -4.716 6.130 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.285 -5.346 6.008 1.00 0.00 H new ATOM 307 N ASN A 22 1.566 -7.377 6.198 1.00 0.00 N ATOM 308 CA ASN A 22 2.143 -8.708 6.074 1.00 0.00 C ATOM 309 C ASN A 22 3.294 -8.707 5.063 1.00 0.00 C ATOM 310 O ASN A 22 3.352 -9.566 4.185 1.00 0.00 O ATOM 311 CB ASN A 22 1.058 -9.731 5.723 1.00 0.00 C ATOM 312 CG ASN A 22 1.562 -11.166 5.835 1.00 0.00 C ATOM 313 OD1 ASN A 22 2.542 -11.448 6.521 1.00 0.00 O ATOM 314 ND2 ASN A 22 0.887 -12.092 5.158 1.00 0.00 N ATOM 0 H ASN A 22 1.455 -7.069 7.164 1.00 0.00 H new ATOM 0 HA ASN A 22 2.565 -9.003 7.035 1.00 0.00 H new ATOM 0 HB2 ASN A 22 0.204 -9.595 6.387 1.00 0.00 H new ATOM 0 HB3 ASN A 22 0.705 -9.550 4.708 1.00 0.00 H new ATOM 0 HD21 ASN A 22 1.179 -13.068 5.200 1.00 0.00 H new ATOM 0 HD22 ASN A 22 0.078 -11.825 4.598 1.00 0.00 H new ATOM 321 N LEU A 23 4.211 -7.744 5.179 1.00 0.00 N ATOM 322 CA LEU A 23 5.357 -7.627 4.289 1.00 0.00 C ATOM 323 C LEU A 23 6.588 -8.235 4.967 1.00 0.00 C ATOM 324 O LEU A 23 6.736 -8.128 6.183 1.00 0.00 O ATOM 325 CB LEU A 23 5.539 -6.151 3.926 1.00 0.00 C ATOM 326 CG LEU A 23 6.686 -5.879 2.949 1.00 0.00 C ATOM 327 CD1 LEU A 23 6.473 -6.589 1.613 1.00 0.00 C ATOM 328 CD2 LEU A 23 6.769 -4.377 2.699 1.00 0.00 C ATOM 0 H LEU A 23 4.175 -7.022 5.899 1.00 0.00 H new ATOM 0 HA LEU A 23 5.203 -8.179 3.362 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.611 -5.779 3.491 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.713 -5.583 4.840 1.00 0.00 H new ATOM 0 HG LEU A 23 7.608 -6.258 3.391 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.308 -6.371 0.948 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.412 -7.665 1.778 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.546 -6.239 1.159 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.582 -4.168 2.004 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.829 -4.027 2.273 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.955 -3.861 3.641 1.00 0.00 H new ATOM 340 N ASN A 24 7.475 -8.872 4.197 1.00 0.00 N ATOM 341 CA ASN A 24 8.641 -9.526 4.777 1.00 0.00 C ATOM 342 C ASN A 24 9.627 -8.500 5.340 1.00 0.00 C ATOM 343 O ASN A 24 10.236 -8.735 6.379 1.00 0.00 O ATOM 344 CB ASN A 24 9.328 -10.378 3.709 1.00 0.00 C ATOM 345 CG ASN A 24 10.404 -11.260 4.326 1.00 0.00 C ATOM 346 OD1 ASN A 24 10.210 -11.844 5.387 1.00 0.00 O ATOM 347 ND2 ASN A 24 11.550 -11.366 3.664 1.00 0.00 N ATOM 0 H ASN A 24 7.406 -8.946 3.182 1.00 0.00 H new ATOM 0 HA ASN A 24 8.310 -10.160 5.599 1.00 0.00 H new ATOM 0 HB2 ASN A 24 8.589 -10.999 3.203 1.00 0.00 H new ATOM 0 HB3 ASN A 24 9.772 -9.731 2.952 1.00 0.00 H new ATOM 0 HD21 ASN A 24 12.302 -11.947 4.036 1.00 0.00 H new ATOM 0 HD22 ASN A 24 11.679 -10.867 2.784 1.00 0.00 H new ATOM 354 N THR A 25 9.766 -7.368 4.638 1.00 0.00 N ATOM 355 CA THR A 25 10.632 -6.236 4.976 1.00 0.00 C ATOM 356 C THR A 25 12.089 -6.595 5.271 1.00 0.00 C ATOM 357 O THR A 25 12.855 -5.735 5.705 1.00 0.00 O ATOM 358 CB THR A 25 10.014 -5.373 6.079 1.00 0.00 C ATOM 359 OG1 THR A 25 9.929 -6.068 7.304 1.00 0.00 O ATOM 360 CG2 THR A 25 8.611 -4.944 5.669 1.00 0.00 C ATOM 0 H THR A 25 9.249 -7.211 3.773 1.00 0.00 H new ATOM 0 HA THR A 25 10.688 -5.643 4.063 1.00 0.00 H new ATOM 0 HB THR A 25 10.660 -4.506 6.215 1.00 0.00 H new ATOM 0 HG1 THR A 25 10.176 -7.006 7.166 1.00 0.00 H new ATOM 0 HG21 THR A 25 8.174 -4.330 6.456 1.00 0.00 H new ATOM 0 HG22 THR A 25 8.662 -4.368 4.745 1.00 0.00 H new ATOM 0 HG23 THR A 25 7.992 -5.827 5.512 1.00 0.00 H new ATOM 368 N LEU A 26 12.475 -7.851 5.036 1.00 0.00 N ATOM 369 CA LEU A 26 13.845 -8.314 5.204 1.00 0.00 C ATOM 370 C LEU A 26 14.566 -8.416 3.858 1.00 0.00 C ATOM 371 O LEU A 26 15.792 -8.522 3.820 1.00 0.00 O ATOM 372 CB LEU A 26 13.832 -9.677 5.901 1.00 0.00 C ATOM 373 CG LEU A 26 14.076 -9.567 7.410 1.00 0.00 C ATOM 374 CD1 LEU A 26 13.009 -8.735 8.117 1.00 0.00 C ATOM 375 CD2 LEU A 26 14.082 -10.971 8.015 1.00 0.00 C ATOM 0 H LEU A 26 11.834 -8.579 4.720 1.00 0.00 H new ATOM 0 HA LEU A 26 14.386 -7.591 5.815 1.00 0.00 H new ATOM 0 HB2 LEU A 26 12.872 -10.162 5.726 1.00 0.00 H new ATOM 0 HB3 LEU A 26 14.597 -10.315 5.458 1.00 0.00 H new ATOM 0 HG LEU A 26 15.034 -9.068 7.551 1.00 0.00 H new ATOM 0 HD11 LEU A 26 13.230 -8.690 9.183 1.00 0.00 H new ATOM 0 HD12 LEU A 26 13.002 -7.726 7.705 1.00 0.00 H new ATOM 0 HD13 LEU A 26 12.032 -9.194 7.969 1.00 0.00 H new ATOM 0 HD21 LEU A 26 14.255 -10.904 9.089 1.00 0.00 H new ATOM 0 HD22 LEU A 26 13.120 -11.450 7.832 1.00 0.00 H new ATOM 0 HD23 LEU A 26 14.875 -11.562 7.556 1.00 0.00 H new ATOM 387 N VAL A 27 13.812 -8.385 2.754 1.00 0.00 N ATOM 388 CA VAL A 27 14.374 -8.461 1.410 1.00 0.00 C ATOM 389 C VAL A 27 13.882 -7.297 0.557 1.00 0.00 C ATOM 390 O VAL A 27 14.542 -6.926 -0.413 1.00 0.00 O ATOM 391 CB VAL A 27 14.006 -9.815 0.789 1.00 0.00 C ATOM 392 CG1 VAL A 27 14.571 -9.954 -0.624 1.00 0.00 C ATOM 393 CG2 VAL A 27 14.560 -10.964 1.629 1.00 0.00 C ATOM 0 H VAL A 27 12.795 -8.306 2.772 1.00 0.00 H new ATOM 0 HA VAL A 27 15.460 -8.384 1.459 1.00 0.00 H new ATOM 0 HB VAL A 27 12.917 -9.859 0.755 1.00 0.00 H new ATOM 0 HG11 VAL A 27 14.291 -10.925 -1.034 1.00 0.00 H new ATOM 0 HG12 VAL A 27 14.168 -9.163 -1.257 1.00 0.00 H new ATOM 0 HG13 VAL A 27 15.658 -9.873 -0.591 1.00 0.00 H new ATOM 0 HG21 VAL A 27 14.287 -11.914 1.170 1.00 0.00 H new ATOM 0 HG22 VAL A 27 15.646 -10.885 1.682 1.00 0.00 H new ATOM 0 HG23 VAL A 27 14.143 -10.914 2.635 1.00 0.00 H new ATOM 403 N VAL A 28 12.733 -6.713 0.909 1.00 0.00 N ATOM 404 CA VAL A 28 12.178 -5.575 0.177 1.00 0.00 C ATOM 405 C VAL A 28 12.419 -4.284 0.952 1.00 0.00 C ATOM 406 O VAL A 28 12.406 -4.286 2.184 1.00 0.00 O ATOM 407 CB VAL A 28 10.690 -5.799 -0.105 1.00 0.00 C ATOM 408 CG1 VAL A 28 10.097 -4.633 -0.898 1.00 0.00 C ATOM 409 CG2 VAL A 28 10.503 -7.077 -0.922 1.00 0.00 C ATOM 0 H VAL A 28 12.167 -7.014 1.702 1.00 0.00 H new ATOM 0 HA VAL A 28 12.684 -5.484 -0.784 1.00 0.00 H new ATOM 0 HB VAL A 28 10.180 -5.879 0.855 1.00 0.00 H new ATOM 0 HG11 VAL A 28 9.039 -4.820 -1.084 1.00 0.00 H new ATOM 0 HG12 VAL A 28 10.208 -3.711 -0.327 1.00 0.00 H new ATOM 0 HG13 VAL A 28 10.621 -4.536 -1.849 1.00 0.00 H new ATOM 0 HG21 VAL A 28 9.442 -7.231 -1.119 1.00 0.00 H new ATOM 0 HG22 VAL A 28 11.038 -6.986 -1.867 1.00 0.00 H new ATOM 0 HG23 VAL A 28 10.895 -7.927 -0.363 1.00 0.00 H new ATOM 419 N LYS A 29 12.638 -3.180 0.228 1.00 0.00 N ATOM 420 CA LYS A 29 12.912 -1.875 0.816 1.00 0.00 C ATOM 421 C LYS A 29 12.100 -0.797 0.111 1.00 0.00 C ATOM 422 O LYS A 29 11.464 -1.048 -0.912 1.00 0.00 O ATOM 423 CB LYS A 29 14.409 -1.545 0.735 1.00 0.00 C ATOM 424 CG LYS A 29 15.313 -2.592 1.391 1.00 0.00 C ATOM 425 CD LYS A 29 15.734 -3.679 0.396 1.00 0.00 C ATOM 426 CE LYS A 29 16.668 -4.674 1.081 1.00 0.00 C ATOM 427 NZ LYS A 29 17.104 -5.717 0.137 1.00 0.00 N ATOM 0 H LYS A 29 12.629 -3.173 -0.792 1.00 0.00 H new ATOM 0 HA LYS A 29 12.622 -1.906 1.866 1.00 0.00 H new ATOM 0 HB2 LYS A 29 14.692 -1.441 -0.313 1.00 0.00 H new ATOM 0 HB3 LYS A 29 14.584 -0.580 1.210 1.00 0.00 H new ATOM 0 HG2 LYS A 29 16.200 -2.105 1.795 1.00 0.00 H new ATOM 0 HG3 LYS A 29 14.790 -3.050 2.231 1.00 0.00 H new ATOM 0 HD2 LYS A 29 14.854 -4.196 0.014 1.00 0.00 H new ATOM 0 HD3 LYS A 29 16.234 -3.227 -0.460 1.00 0.00 H new ATOM 0 HE2 LYS A 29 17.537 -4.150 1.478 1.00 0.00 H new ATOM 0 HE3 LYS A 29 16.159 -5.134 1.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 17.778 -6.353 0.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 16.279 -6.263 -0.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 17.564 -5.273 -0.683 1.00 0.00 H new ATOM 441 N LYS A 30 12.123 0.422 0.661 1.00 0.00 N ATOM 442 CA LYS A 30 11.404 1.573 0.122 1.00 0.00 C ATOM 443 C LYS A 30 11.962 2.024 -1.227 1.00 0.00 C ATOM 444 O LYS A 30 11.417 2.930 -1.851 1.00 0.00 O ATOM 445 CB LYS A 30 11.417 2.691 1.165 1.00 0.00 C ATOM 446 CG LYS A 30 12.840 3.072 1.573 1.00 0.00 C ATOM 447 CD LYS A 30 12.876 3.436 3.057 1.00 0.00 C ATOM 448 CE LYS A 30 12.008 4.657 3.361 1.00 0.00 C ATOM 449 NZ LYS A 30 12.066 5.015 4.791 1.00 0.00 N ATOM 0 H LYS A 30 12.651 0.636 1.507 1.00 0.00 H new ATOM 0 HA LYS A 30 10.371 1.289 -0.079 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.907 3.567 0.765 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.860 2.373 2.046 1.00 0.00 H new ATOM 0 HG2 LYS A 30 13.518 2.242 1.377 1.00 0.00 H new ATOM 0 HG3 LYS A 30 13.186 3.915 0.974 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.531 2.588 3.648 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.904 3.637 3.358 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.342 5.502 2.759 1.00 0.00 H new ATOM 0 HE3 LYS A 30 10.976 4.452 3.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 11.467 5.847 4.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.724 4.216 5.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.048 5.234 5.054 1.00 0.00 H new ATOM 463 N SER A 31 13.049 1.389 -1.670 1.00 0.00 N ATOM 464 CA SER A 31 13.640 1.616 -2.982 1.00 0.00 C ATOM 465 C SER A 31 13.173 0.562 -3.985 1.00 0.00 C ATOM 466 O SER A 31 13.385 0.704 -5.189 1.00 0.00 O ATOM 467 CB SER A 31 15.162 1.587 -2.854 1.00 0.00 C ATOM 468 OG SER A 31 15.577 0.368 -2.278 1.00 0.00 O ATOM 0 H SER A 31 13.548 0.693 -1.116 1.00 0.00 H new ATOM 0 HA SER A 31 13.319 2.590 -3.352 1.00 0.00 H new ATOM 0 HB2 SER A 31 15.620 1.709 -3.836 1.00 0.00 H new ATOM 0 HB3 SER A 31 15.499 2.422 -2.240 1.00 0.00 H new ATOM 0 HG SER A 31 16.554 0.358 -2.202 1.00 0.00 H new ATOM 474 N ASP A 32 12.536 -0.501 -3.488 1.00 0.00 N ATOM 475 CA ASP A 32 12.018 -1.595 -4.292 1.00 0.00 C ATOM 476 C ASP A 32 10.506 -1.491 -4.457 1.00 0.00 C ATOM 477 O ASP A 32 9.971 -1.847 -5.505 1.00 0.00 O ATOM 478 CB ASP A 32 12.384 -2.905 -3.601 1.00 0.00 C ATOM 479 CG ASP A 32 13.870 -3.218 -3.718 1.00 0.00 C ATOM 480 OD1 ASP A 32 14.355 -3.303 -4.868 1.00 0.00 O ATOM 481 OD2 ASP A 32 14.509 -3.374 -2.653 1.00 0.00 O ATOM 0 H ASP A 32 12.365 -0.622 -2.490 1.00 0.00 H new ATOM 0 HA ASP A 32 12.457 -1.553 -5.289 1.00 0.00 H new ATOM 0 HB2 ASP A 32 12.108 -2.849 -2.548 1.00 0.00 H new ATOM 0 HB3 ASP A 32 11.807 -3.719 -4.039 1.00 0.00 H new ATOM 486 N VAL A 33 9.801 -1.000 -3.432 1.00 0.00 N ATOM 487 CA VAL A 33 8.353 -0.866 -3.500 1.00 0.00 C ATOM 488 C VAL A 33 7.990 0.166 -4.568 1.00 0.00 C ATOM 489 O VAL A 33 6.947 0.062 -5.207 1.00 0.00 O ATOM 490 CB VAL A 33 7.827 -0.465 -2.121 1.00 0.00 C ATOM 491 CG1 VAL A 33 6.326 -0.197 -2.151 1.00 0.00 C ATOM 492 CG2 VAL A 33 8.075 -1.587 -1.115 1.00 0.00 C ATOM 0 H VAL A 33 10.213 -0.692 -2.551 1.00 0.00 H new ATOM 0 HA VAL A 33 7.890 -1.812 -3.780 1.00 0.00 H new ATOM 0 HB VAL A 33 8.355 0.443 -1.831 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.987 0.085 -1.154 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.115 0.613 -2.849 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.802 -1.098 -2.471 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.696 -1.289 -0.137 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.561 -2.490 -1.444 1.00 0.00 H new ATOM 0 HG23 VAL A 33 9.145 -1.783 -1.045 1.00 0.00 H new ATOM 502 N GLU A 34 8.854 1.166 -4.767 1.00 0.00 N ATOM 503 CA GLU A 34 8.649 2.185 -5.789 1.00 0.00 C ATOM 504 C GLU A 34 9.021 1.677 -7.184 1.00 0.00 C ATOM 505 O GLU A 34 9.037 2.450 -8.138 1.00 0.00 O ATOM 506 CB GLU A 34 9.403 3.464 -5.428 1.00 0.00 C ATOM 507 CG GLU A 34 10.914 3.229 -5.373 1.00 0.00 C ATOM 508 CD GLU A 34 11.685 4.523 -5.098 1.00 0.00 C ATOM 509 OE1 GLU A 34 11.035 5.546 -4.789 1.00 0.00 O ATOM 510 OE2 GLU A 34 12.932 4.479 -5.203 1.00 0.00 O ATOM 0 H GLU A 34 9.709 1.288 -4.225 1.00 0.00 H new ATOM 0 HA GLU A 34 7.585 2.420 -5.820 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.181 4.238 -6.163 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.056 3.832 -4.462 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.140 2.500 -4.595 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.249 2.801 -6.318 1.00 0.00 H new ATOM 517 N ALA A 35 9.322 0.377 -7.302 1.00 0.00 N ATOM 518 CA ALA A 35 9.622 -0.255 -8.577 1.00 0.00 C ATOM 519 C ALA A 35 8.732 -1.480 -8.804 1.00 0.00 C ATOM 520 O ALA A 35 8.746 -2.061 -9.888 1.00 0.00 O ATOM 521 CB ALA A 35 11.101 -0.634 -8.603 1.00 0.00 C ATOM 0 H ALA A 35 9.362 -0.262 -6.508 1.00 0.00 H new ATOM 0 HA ALA A 35 9.416 0.444 -9.387 1.00 0.00 H new ATOM 0 HB1 ALA A 35 11.338 -1.109 -9.555 1.00 0.00 H new ATOM 0 HB2 ALA A 35 11.709 0.263 -8.484 1.00 0.00 H new ATOM 0 HB3 ALA A 35 11.313 -1.327 -7.789 1.00 0.00 H new ATOM 527 N ILE A 36 7.954 -1.874 -7.788 1.00 0.00 N ATOM 528 CA ILE A 36 7.034 -3.002 -7.877 1.00 0.00 C ATOM 529 C ILE A 36 5.588 -2.520 -7.906 1.00 0.00 C ATOM 530 O ILE A 36 4.718 -3.199 -8.446 1.00 0.00 O ATOM 531 CB ILE A 36 7.283 -3.928 -6.678 1.00 0.00 C ATOM 532 CG1 ILE A 36 8.706 -4.486 -6.752 1.00 0.00 C ATOM 533 CG2 ILE A 36 6.264 -5.072 -6.649 1.00 0.00 C ATOM 534 CD1 ILE A 36 9.145 -5.077 -5.411 1.00 0.00 C ATOM 0 H ILE A 36 7.949 -1.413 -6.878 1.00 0.00 H new ATOM 0 HA ILE A 36 7.209 -3.550 -8.803 1.00 0.00 H new ATOM 0 HB ILE A 36 7.167 -3.352 -5.760 1.00 0.00 H new ATOM 0 HG12 ILE A 36 8.757 -5.254 -7.524 1.00 0.00 H new ATOM 0 HG13 ILE A 36 9.394 -3.693 -7.045 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.462 -5.714 -5.790 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.258 -4.661 -6.571 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.347 -5.656 -7.565 1.00 0.00 H new ATOM 0 HD11 ILE A 36 10.160 -5.464 -5.499 1.00 0.00 H new ATOM 0 HD12 ILE A 36 9.117 -4.302 -4.645 1.00 0.00 H new ATOM 0 HD13 ILE A 36 8.471 -5.887 -5.132 1.00 0.00 H new ATOM 546 N PHE A 37 5.323 -1.343 -7.330 1.00 0.00 N ATOM 547 CA PHE A 37 3.984 -0.778 -7.290 1.00 0.00 C ATOM 548 C PHE A 37 3.849 0.364 -8.295 1.00 0.00 C ATOM 549 O PHE A 37 2.751 0.869 -8.518 1.00 0.00 O ATOM 550 CB PHE A 37 3.680 -0.330 -5.862 1.00 0.00 C ATOM 551 CG PHE A 37 3.453 -1.475 -4.899 1.00 0.00 C ATOM 552 CD1 PHE A 37 4.548 -2.171 -4.373 1.00 0.00 C ATOM 553 CD2 PHE A 37 2.151 -1.839 -4.534 1.00 0.00 C ATOM 554 CE1 PHE A 37 4.343 -3.241 -3.492 1.00 0.00 C ATOM 555 CE2 PHE A 37 1.943 -2.910 -3.650 1.00 0.00 C ATOM 556 CZ PHE A 37 3.039 -3.610 -3.129 1.00 0.00 C ATOM 0 H PHE A 37 6.032 -0.763 -6.882 1.00 0.00 H new ATOM 0 HA PHE A 37 3.252 -1.532 -7.578 1.00 0.00 H new ATOM 0 HB2 PHE A 37 4.507 0.280 -5.498 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.795 0.306 -5.871 1.00 0.00 H new ATOM 0 HD1 PHE A 37 5.552 -1.883 -4.647 1.00 0.00 H new ATOM 0 HD2 PHE A 37 1.307 -1.296 -4.932 1.00 0.00 H new ATOM 0 HE1 PHE A 37 5.188 -3.781 -3.093 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.939 -3.194 -3.372 1.00 0.00 H new ATOM 0 HZ PHE A 37 2.880 -4.433 -2.448 1.00 0.00 H new ATOM 566 N SER A 38 4.962 0.781 -8.905 1.00 0.00 N ATOM 567 CA SER A 38 4.966 1.876 -9.868 1.00 0.00 C ATOM 568 C SER A 38 4.327 1.455 -11.189 1.00 0.00 C ATOM 569 O SER A 38 4.010 2.300 -12.023 1.00 0.00 O ATOM 570 CB SER A 38 6.402 2.327 -10.103 1.00 0.00 C ATOM 571 OG SER A 38 7.172 1.240 -10.565 1.00 0.00 O ATOM 0 H SER A 38 5.881 0.368 -8.743 1.00 0.00 H new ATOM 0 HA SER A 38 4.378 2.700 -9.463 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.424 3.137 -10.832 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.826 2.719 -9.179 1.00 0.00 H new ATOM 0 HG SER A 38 8.095 1.534 -10.717 1.00 0.00 H new ATOM 577 N LYS A 39 4.141 0.146 -11.379 1.00 0.00 N ATOM 578 CA LYS A 39 3.531 -0.415 -12.576 1.00 0.00 C ATOM 579 C LYS A 39 2.002 -0.342 -12.539 1.00 0.00 C ATOM 580 O LYS A 39 1.353 -0.570 -13.557 1.00 0.00 O ATOM 581 CB LYS A 39 4.029 -1.850 -12.743 1.00 0.00 C ATOM 582 CG LYS A 39 3.514 -2.716 -11.596 1.00 0.00 C ATOM 583 CD LYS A 39 4.330 -4.004 -11.495 1.00 0.00 C ATOM 584 CE LYS A 39 4.214 -4.865 -12.754 1.00 0.00 C ATOM 585 NZ LYS A 39 2.831 -5.330 -12.963 1.00 0.00 N ATOM 0 H LYS A 39 4.415 -0.558 -10.694 1.00 0.00 H new ATOM 0 HA LYS A 39 3.829 0.179 -13.440 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.688 -2.254 -13.696 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.119 -1.866 -12.761 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.576 -2.164 -10.658 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.463 -2.955 -11.756 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.377 -3.755 -11.323 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.993 -4.578 -10.632 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.541 -4.291 -13.621 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.880 -5.724 -12.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.844 -6.279 -13.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.335 -5.367 -12.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.336 -4.672 -13.599 1.00 0.00 H new ATOM 599 N TYR A 40 1.426 -0.022 -11.374 1.00 0.00 N ATOM 600 CA TYR A 40 -0.021 0.103 -11.231 1.00 0.00 C ATOM 601 C TYR A 40 -0.441 1.564 -11.091 1.00 0.00 C ATOM 602 O TYR A 40 -1.615 1.892 -11.257 1.00 0.00 O ATOM 603 CB TYR A 40 -0.478 -0.711 -10.025 1.00 0.00 C ATOM 604 CG TYR A 40 -0.042 -2.154 -10.108 1.00 0.00 C ATOM 605 CD1 TYR A 40 -0.664 -3.027 -11.017 1.00 0.00 C ATOM 606 CD2 TYR A 40 0.994 -2.617 -9.283 1.00 0.00 C ATOM 607 CE1 TYR A 40 -0.237 -4.357 -11.118 1.00 0.00 C ATOM 608 CE2 TYR A 40 1.428 -3.945 -9.385 1.00 0.00 C ATOM 609 CZ TYR A 40 0.815 -4.822 -10.301 1.00 0.00 C ATOM 610 OH TYR A 40 1.237 -6.113 -10.400 1.00 0.00 O ATOM 0 H TYR A 40 1.947 0.155 -10.515 1.00 0.00 H new ATOM 0 HA TYR A 40 -0.499 -0.284 -12.131 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -0.077 -0.265 -9.115 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.564 -0.666 -9.950 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -1.473 -2.672 -11.639 1.00 0.00 H new ATOM 0 HD2 TYR A 40 1.456 -1.950 -8.570 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -0.712 -5.026 -11.820 1.00 0.00 H new ATOM 0 HE2 TYR A 40 2.235 -4.297 -8.760 1.00 0.00 H new ATOM 0 HH TYR A 40 1.623 -6.397 -9.545 1.00 0.00 H new ATOM 620 N GLY A 41 0.515 2.446 -10.788 1.00 0.00 N ATOM 621 CA GLY A 41 0.241 3.869 -10.728 1.00 0.00 C ATOM 622 C GLY A 41 1.504 4.682 -10.488 1.00 0.00 C ATOM 623 O GLY A 41 2.515 4.153 -10.027 1.00 0.00 O ATOM 0 H GLY A 41 1.481 2.192 -10.582 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.224 4.188 -11.661 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.475 4.067 -9.930 1.00 0.00 H new ATOM 627 N LYS A 42 1.441 5.980 -10.804 1.00 0.00 N ATOM 628 CA LYS A 42 2.543 6.897 -10.587 1.00 0.00 C ATOM 629 C LYS A 42 2.688 7.146 -9.088 1.00 0.00 C ATOM 630 O LYS A 42 1.793 7.717 -8.464 1.00 0.00 O ATOM 631 CB LYS A 42 2.247 8.187 -11.357 1.00 0.00 C ATOM 632 CG LYS A 42 3.201 9.317 -10.974 1.00 0.00 C ATOM 633 CD LYS A 42 2.867 10.557 -11.808 1.00 0.00 C ATOM 634 CE LYS A 42 3.598 11.762 -11.226 1.00 0.00 C ATOM 635 NZ LYS A 42 3.360 12.974 -12.035 1.00 0.00 N ATOM 0 H LYS A 42 0.617 6.416 -11.218 1.00 0.00 H new ATOM 0 HA LYS A 42 3.486 6.487 -10.949 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.324 7.995 -12.427 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.221 8.498 -11.162 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.110 9.542 -9.911 1.00 0.00 H new ATOM 0 HG3 LYS A 42 4.233 9.013 -11.148 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.163 10.403 -12.846 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.791 10.733 -11.806 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.264 11.934 -10.203 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.667 11.555 -11.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.870 13.777 -11.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.701 12.817 -13.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.341 13.183 -12.056 1.00 0.00 H new ATOM 649 N ILE A 43 3.816 6.719 -8.514 1.00 0.00 N ATOM 650 CA ILE A 43 4.064 6.868 -7.091 1.00 0.00 C ATOM 651 C ILE A 43 4.634 8.253 -6.807 1.00 0.00 C ATOM 652 O ILE A 43 5.624 8.658 -7.413 1.00 0.00 O ATOM 653 CB ILE A 43 4.983 5.736 -6.610 1.00 0.00 C ATOM 654 CG1 ILE A 43 4.245 4.405 -6.786 1.00 0.00 C ATOM 655 CG2 ILE A 43 5.351 5.931 -5.138 1.00 0.00 C ATOM 656 CD1 ILE A 43 5.096 3.199 -6.394 1.00 0.00 C ATOM 0 H ILE A 43 4.573 6.265 -9.024 1.00 0.00 H new ATOM 0 HA ILE A 43 3.132 6.788 -6.532 1.00 0.00 H new ATOM 0 HB ILE A 43 5.903 5.740 -7.195 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.338 4.415 -6.182 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.934 4.302 -7.826 1.00 0.00 H new ATOM 0 HG21 ILE A 43 6.003 5.119 -4.815 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.869 6.882 -5.015 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.444 5.931 -4.533 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.521 2.285 -6.540 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.991 3.168 -7.016 1.00 0.00 H new ATOM 0 HD13 ILE A 43 5.385 3.283 -5.346 1.00 0.00 H new ATOM 668 N VAL A 44 4.000 8.976 -5.880 1.00 0.00 N ATOM 669 CA VAL A 44 4.433 10.307 -5.472 1.00 0.00 C ATOM 670 C VAL A 44 5.128 10.261 -4.114 1.00 0.00 C ATOM 671 O VAL A 44 5.685 11.261 -3.667 1.00 0.00 O ATOM 672 CB VAL A 44 3.245 11.275 -5.468 1.00 0.00 C ATOM 673 CG1 VAL A 44 2.648 11.378 -6.870 1.00 0.00 C ATOM 674 CG2 VAL A 44 2.159 10.828 -4.490 1.00 0.00 C ATOM 0 H VAL A 44 3.167 8.649 -5.391 1.00 0.00 H new ATOM 0 HA VAL A 44 5.161 10.675 -6.195 1.00 0.00 H new ATOM 0 HB VAL A 44 3.616 12.249 -5.149 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.804 12.068 -6.856 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.406 11.745 -7.562 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.307 10.395 -7.193 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.333 11.538 -4.514 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.797 9.840 -4.775 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.572 10.786 -3.482 1.00 0.00 H new ATOM 684 N GLY A 45 5.104 9.096 -3.462 1.00 0.00 N ATOM 685 CA GLY A 45 5.766 8.879 -2.187 1.00 0.00 C ATOM 686 C GLY A 45 5.695 7.409 -1.802 1.00 0.00 C ATOM 687 O GLY A 45 4.728 6.722 -2.126 1.00 0.00 O ATOM 0 H GLY A 45 4.617 8.272 -3.814 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.807 9.196 -2.251 1.00 0.00 H new ATOM 0 HA3 GLY A 45 5.294 9.488 -1.416 1.00 0.00 H new ATOM 691 N CYS A 46 6.720 6.917 -1.111 1.00 0.00 N ATOM 692 CA CYS A 46 6.786 5.532 -0.686 1.00 0.00 C ATOM 693 C CYS A 46 7.619 5.413 0.586 1.00 0.00 C ATOM 694 O CYS A 46 8.581 6.157 0.776 1.00 0.00 O ATOM 695 CB CYS A 46 7.397 4.692 -1.809 1.00 0.00 C ATOM 696 SG CYS A 46 7.435 2.956 -1.301 1.00 0.00 S ATOM 0 H CYS A 46 7.528 7.474 -0.832 1.00 0.00 H new ATOM 0 HA CYS A 46 5.782 5.166 -0.471 1.00 0.00 H new ATOM 0 HB2 CYS A 46 6.812 4.803 -2.722 1.00 0.00 H new ATOM 0 HB3 CYS A 46 8.406 5.040 -2.032 1.00 0.00 H new ATOM 0 HG CYS A 46 6.467 2.728 -0.463 1.00 0.00 H new ATOM 702 N SER A 47 7.254 4.474 1.460 1.00 0.00 N ATOM 703 CA SER A 47 8.013 4.213 2.669 1.00 0.00 C ATOM 704 C SER A 47 7.804 2.770 3.108 1.00 0.00 C ATOM 705 O SER A 47 6.747 2.189 2.876 1.00 0.00 O ATOM 706 CB SER A 47 7.591 5.178 3.778 1.00 0.00 C ATOM 707 OG SER A 47 8.447 5.006 4.888 1.00 0.00 O ATOM 0 H SER A 47 6.431 3.882 1.346 1.00 0.00 H new ATOM 0 HA SER A 47 9.072 4.368 2.465 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.640 6.207 3.421 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.557 4.990 4.067 1.00 0.00 H new ATOM 0 HG SER A 47 8.184 5.623 5.603 1.00 0.00 H new ATOM 713 N VAL A 48 8.822 2.192 3.745 1.00 0.00 N ATOM 714 CA VAL A 48 8.770 0.835 4.264 1.00 0.00 C ATOM 715 C VAL A 48 9.095 0.860 5.748 1.00 0.00 C ATOM 716 O VAL A 48 9.893 1.677 6.206 1.00 0.00 O ATOM 717 CB VAL A 48 9.716 -0.078 3.480 1.00 0.00 C ATOM 718 CG1 VAL A 48 9.770 -1.487 4.070 1.00 0.00 C ATOM 719 CG2 VAL A 48 9.228 -0.190 2.038 1.00 0.00 C ATOM 0 H VAL A 48 9.712 2.661 3.914 1.00 0.00 H new ATOM 0 HA VAL A 48 7.767 0.426 4.140 1.00 0.00 H new ATOM 0 HB VAL A 48 10.712 0.362 3.531 1.00 0.00 H new ATOM 0 HG11 VAL A 48 10.453 -2.101 3.483 1.00 0.00 H new ATOM 0 HG12 VAL A 48 10.122 -1.437 5.100 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.774 -1.929 4.048 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.899 -0.840 1.476 1.00 0.00 H new ATOM 0 HG22 VAL A 48 8.222 -0.610 2.026 1.00 0.00 H new ATOM 0 HG23 VAL A 48 9.214 0.799 1.581 1.00 0.00 H new ATOM 729 N HIS A 49 8.463 -0.051 6.485 1.00 0.00 N ATOM 730 CA HIS A 49 8.569 -0.154 7.929 1.00 0.00 C ATOM 731 C HIS A 49 8.840 -1.613 8.279 1.00 0.00 C ATOM 732 O HIS A 49 9.179 -2.403 7.399 1.00 0.00 O ATOM 733 CB HIS A 49 7.262 0.350 8.539 1.00 0.00 C ATOM 734 CG HIS A 49 6.898 1.743 8.082 1.00 0.00 C ATOM 735 ND1 HIS A 49 6.312 2.063 6.890 1.00 0.00 N flip ATOM 736 CD2 HIS A 49 7.107 2.913 8.812 1.00 0.00 C flip ATOM 737 CE1 HIS A 49 6.154 3.427 6.881 1.00 0.00 C flip ATOM 738 NE2 HIS A 49 6.638 3.906 8.041 1.00 0.00 N flip ATOM 0 H HIS A 49 7.847 -0.755 6.078 1.00 0.00 H new ATOM 0 HA HIS A 49 9.385 0.450 8.327 1.00 0.00 H new ATOM 0 HB2 HIS A 49 6.456 -0.335 8.276 1.00 0.00 H new ATOM 0 HB3 HIS A 49 7.347 0.340 9.626 1.00 0.00 H new ATOM 0 HD2 HIS A 49 7.553 3.001 9.792 1.00 0.00 H new ATOM 0 HE1 HIS A 49 5.718 4.011 6.084 1.00 0.00 H new ATOM 0 HE2 HIS A 49 6.647 4.893 8.300 1.00 0.00 H new ATOM 746 N LYS A 50 8.697 -1.990 9.550 1.00 0.00 N ATOM 747 CA LYS A 50 8.865 -3.382 9.937 1.00 0.00 C ATOM 748 C LYS A 50 7.532 -4.113 9.815 1.00 0.00 C ATOM 749 O LYS A 50 6.565 -3.769 10.493 1.00 0.00 O ATOM 750 CB LYS A 50 9.422 -3.475 11.357 1.00 0.00 C ATOM 751 CG LYS A 50 10.815 -2.854 11.418 1.00 0.00 C ATOM 752 CD LYS A 50 11.393 -3.014 12.823 1.00 0.00 C ATOM 753 CE LYS A 50 12.805 -2.439 12.903 1.00 0.00 C ATOM 754 NZ LYS A 50 12.816 -0.978 12.696 1.00 0.00 N ATOM 0 H LYS A 50 8.468 -1.357 10.316 1.00 0.00 H new ATOM 0 HA LYS A 50 9.581 -3.860 9.269 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.756 -2.962 12.051 1.00 0.00 H new ATOM 0 HB3 LYS A 50 9.467 -4.518 11.670 1.00 0.00 H new ATOM 0 HG2 LYS A 50 11.469 -3.333 10.689 1.00 0.00 H new ATOM 0 HG3 LYS A 50 10.764 -1.798 11.154 1.00 0.00 H new ATOM 0 HD2 LYS A 50 10.750 -2.510 13.544 1.00 0.00 H new ATOM 0 HD3 LYS A 50 11.410 -4.069 13.095 1.00 0.00 H new ATOM 0 HE2 LYS A 50 13.237 -2.671 13.876 1.00 0.00 H new ATOM 0 HE3 LYS A 50 13.435 -2.917 12.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 13.754 -0.600 12.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 12.606 -0.767 11.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 12.096 -0.536 13.303 1.00 0.00 H new ATOM 768 N GLY A 51 7.488 -5.125 8.944 1.00 0.00 N ATOM 769 CA GLY A 51 6.305 -5.945 8.736 1.00 0.00 C ATOM 770 C GLY A 51 5.264 -5.308 7.816 1.00 0.00 C ATOM 771 O GLY A 51 4.296 -5.974 7.458 1.00 0.00 O ATOM 0 H GLY A 51 8.281 -5.395 8.362 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.609 -6.904 8.316 1.00 0.00 H new ATOM 0 HA3 GLY A 51 5.844 -6.152 9.702 1.00 0.00 H new ATOM 775 N PHE A 52 5.436 -4.040 7.424 1.00 0.00 N ATOM 776 CA PHE A 52 4.494 -3.374 6.531 1.00 0.00 C ATOM 777 C PHE A 52 5.171 -2.248 5.745 1.00 0.00 C ATOM 778 O PHE A 52 6.311 -1.879 6.027 1.00 0.00 O ATOM 779 CB PHE A 52 3.309 -2.825 7.330 1.00 0.00 C ATOM 780 CG PHE A 52 3.665 -1.737 8.317 1.00 0.00 C ATOM 781 CD1 PHE A 52 4.090 -2.071 9.614 1.00 0.00 C ATOM 782 CD2 PHE A 52 3.569 -0.388 7.940 1.00 0.00 C ATOM 783 CE1 PHE A 52 4.429 -1.063 10.525 1.00 0.00 C ATOM 784 CE2 PHE A 52 3.906 0.617 8.856 1.00 0.00 C ATOM 785 CZ PHE A 52 4.339 0.282 10.147 1.00 0.00 C ATOM 0 H PHE A 52 6.222 -3.458 7.714 1.00 0.00 H new ATOM 0 HA PHE A 52 4.131 -4.111 5.814 1.00 0.00 H new ATOM 0 HB2 PHE A 52 2.567 -2.436 6.633 1.00 0.00 H new ATOM 0 HB3 PHE A 52 2.839 -3.647 7.870 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.155 -3.108 9.909 1.00 0.00 H new ATOM 0 HD2 PHE A 52 3.236 -0.126 6.947 1.00 0.00 H new ATOM 0 HE1 PHE A 52 4.760 -1.323 11.520 1.00 0.00 H new ATOM 0 HE2 PHE A 52 3.832 1.655 8.566 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.603 1.060 10.848 1.00 0.00 H new ATOM 795 N ALA A 53 4.460 -1.705 4.756 1.00 0.00 N ATOM 796 CA ALA A 53 4.929 -0.593 3.946 1.00 0.00 C ATOM 797 C ALA A 53 3.749 0.265 3.485 1.00 0.00 C ATOM 798 O ALA A 53 2.592 -0.098 3.689 1.00 0.00 O ATOM 799 CB ALA A 53 5.705 -1.137 2.748 1.00 0.00 C ATOM 0 H ALA A 53 3.530 -2.034 4.496 1.00 0.00 H new ATOM 0 HA ALA A 53 5.589 0.038 4.541 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.059 -0.307 2.137 1.00 0.00 H new ATOM 0 HB2 ALA A 53 6.557 -1.718 3.100 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.053 -1.775 2.151 1.00 0.00 H new ATOM 805 N PHE A 54 4.052 1.407 2.860 1.00 0.00 N ATOM 806 CA PHE A 54 3.053 2.334 2.351 1.00 0.00 C ATOM 807 C PHE A 54 3.485 2.894 0.998 1.00 0.00 C ATOM 808 O PHE A 54 4.671 3.110 0.754 1.00 0.00 O ATOM 809 CB PHE A 54 2.853 3.470 3.360 1.00 0.00 C ATOM 810 CG PHE A 54 1.790 3.191 4.400 1.00 0.00 C ATOM 811 CD1 PHE A 54 0.443 3.184 4.016 1.00 0.00 C ATOM 812 CD2 PHE A 54 2.139 2.955 5.739 1.00 0.00 C ATOM 813 CE1 PHE A 54 -0.558 2.942 4.966 1.00 0.00 C ATOM 814 CE2 PHE A 54 1.138 2.701 6.686 1.00 0.00 C ATOM 815 CZ PHE A 54 -0.209 2.698 6.303 1.00 0.00 C ATOM 0 H PHE A 54 5.011 1.712 2.695 1.00 0.00 H new ATOM 0 HA PHE A 54 2.110 1.805 2.214 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.799 3.664 3.866 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.588 4.379 2.820 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.175 3.366 2.986 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.177 2.969 6.039 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.597 2.943 4.670 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.406 2.507 7.714 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.979 2.508 7.036 1.00 0.00 H new ATOM 825 N VAL A 55 2.505 3.131 0.116 1.00 0.00 N ATOM 826 CA VAL A 55 2.728 3.692 -1.213 1.00 0.00 C ATOM 827 C VAL A 55 1.670 4.748 -1.482 1.00 0.00 C ATOM 828 O VAL A 55 0.505 4.547 -1.158 1.00 0.00 O ATOM 829 CB VAL A 55 2.650 2.589 -2.272 1.00 0.00 C ATOM 830 CG1 VAL A 55 2.784 3.173 -3.678 1.00 0.00 C ATOM 831 CG2 VAL A 55 3.782 1.590 -2.067 1.00 0.00 C ATOM 0 H VAL A 55 1.524 2.934 0.313 1.00 0.00 H new ATOM 0 HA VAL A 55 3.719 4.143 -1.259 1.00 0.00 H new ATOM 0 HB VAL A 55 1.682 2.098 -2.169 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.726 2.370 -4.413 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.978 3.886 -3.854 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.744 3.681 -3.771 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.719 0.809 -2.824 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.740 2.103 -2.153 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.698 1.143 -1.077 1.00 0.00 H new ATOM 841 N GLN A 56 2.071 5.872 -2.075 1.00 0.00 N ATOM 842 CA GLN A 56 1.176 6.989 -2.327 1.00 0.00 C ATOM 843 C GLN A 56 1.070 7.230 -3.829 1.00 0.00 C ATOM 844 O GLN A 56 2.088 7.318 -4.515 1.00 0.00 O ATOM 845 CB GLN A 56 1.741 8.214 -1.599 1.00 0.00 C ATOM 846 CG GLN A 56 0.788 9.409 -1.625 1.00 0.00 C ATOM 847 CD GLN A 56 -0.338 9.247 -0.618 1.00 0.00 C ATOM 848 OE1 GLN A 56 -0.104 9.060 0.572 1.00 0.00 O ATOM 849 NE2 GLN A 56 -1.579 9.315 -1.086 1.00 0.00 N ATOM 0 H GLN A 56 3.027 6.029 -2.393 1.00 0.00 H new ATOM 0 HA GLN A 56 0.172 6.782 -1.957 1.00 0.00 H new ATOM 0 HB2 GLN A 56 1.956 7.949 -0.564 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.687 8.500 -2.058 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.342 10.322 -1.408 1.00 0.00 H new ATOM 0 HG3 GLN A 56 0.369 9.520 -2.625 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -1.741 9.472 -2.081 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -2.370 9.211 -0.451 1.00 0.00 H new ATOM 858 N TYR A 57 -0.157 7.342 -4.340 1.00 0.00 N ATOM 859 CA TYR A 57 -0.413 7.597 -5.751 1.00 0.00 C ATOM 860 C TYR A 57 -1.005 8.987 -5.948 1.00 0.00 C ATOM 861 O TYR A 57 -1.236 9.715 -4.983 1.00 0.00 O ATOM 862 CB TYR A 57 -1.367 6.542 -6.310 1.00 0.00 C ATOM 863 CG TYR A 57 -0.808 5.143 -6.301 1.00 0.00 C ATOM 864 CD1 TYR A 57 0.396 4.876 -6.966 1.00 0.00 C ATOM 865 CD2 TYR A 57 -1.494 4.115 -5.641 1.00 0.00 C ATOM 866 CE1 TYR A 57 0.931 3.581 -6.960 1.00 0.00 C ATOM 867 CE2 TYR A 57 -0.956 2.823 -5.621 1.00 0.00 C ATOM 868 CZ TYR A 57 0.257 2.555 -6.276 1.00 0.00 C ATOM 869 OH TYR A 57 0.775 1.300 -6.248 1.00 0.00 O ATOM 0 H TYR A 57 -1.005 7.257 -3.779 1.00 0.00 H new ATOM 0 HA TYR A 57 0.535 7.544 -6.287 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -2.289 6.557 -5.729 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -1.630 6.811 -7.333 1.00 0.00 H new ATOM 0 HD1 TYR A 57 0.913 5.670 -7.484 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -2.434 4.319 -5.150 1.00 0.00 H new ATOM 0 HE1 TYR A 57 1.856 3.373 -7.478 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -1.474 2.031 -5.101 1.00 0.00 H new ATOM 0 HH TYR A 57 1.390 1.183 -7.002 1.00 0.00 H new ATOM 879 N VAL A 58 -1.255 9.355 -7.208 1.00 0.00 N ATOM 880 CA VAL A 58 -1.849 10.643 -7.537 1.00 0.00 C ATOM 881 C VAL A 58 -3.339 10.648 -7.208 1.00 0.00 C ATOM 882 O VAL A 58 -3.881 11.693 -6.857 1.00 0.00 O ATOM 883 CB VAL A 58 -1.602 10.941 -9.023 1.00 0.00 C ATOM 884 CG1 VAL A 58 -2.370 12.184 -9.473 1.00 0.00 C ATOM 885 CG2 VAL A 58 -0.111 11.173 -9.265 1.00 0.00 C ATOM 0 H VAL A 58 -1.051 8.770 -8.019 1.00 0.00 H new ATOM 0 HA VAL A 58 -1.385 11.426 -6.938 1.00 0.00 H new ATOM 0 HB VAL A 58 -1.950 10.082 -9.597 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.175 12.370 -10.529 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -3.438 12.026 -9.323 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.045 13.044 -8.888 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.058 11.384 -10.321 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.227 12.019 -8.667 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.447 10.281 -8.979 1.00 0.00 H new ATOM 895 N ASN A 59 -4.014 9.495 -7.316 1.00 0.00 N ATOM 896 CA ASN A 59 -5.431 9.417 -6.988 1.00 0.00 C ATOM 897 C ASN A 59 -5.859 8.005 -6.582 1.00 0.00 C ATOM 898 O ASN A 59 -5.097 7.051 -6.724 1.00 0.00 O ATOM 899 CB ASN A 59 -6.267 9.944 -8.155 1.00 0.00 C ATOM 900 CG ASN A 59 -6.642 8.874 -9.163 1.00 0.00 C ATOM 901 OD1 ASN A 59 -7.824 8.607 -9.356 1.00 0.00 O ATOM 902 ND2 ASN A 59 -5.659 8.256 -9.807 1.00 0.00 N ATOM 0 H ASN A 59 -3.600 8.616 -7.625 1.00 0.00 H new ATOM 0 HA ASN A 59 -5.607 10.049 -6.117 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -7.177 10.398 -7.763 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -5.711 10.732 -8.663 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -5.874 7.530 -10.491 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -4.689 8.507 -9.618 1.00 0.00 H new ATOM 909 N GLU A 60 -7.091 7.880 -6.079 1.00 0.00 N ATOM 910 CA GLU A 60 -7.626 6.615 -5.595 1.00 0.00 C ATOM 911 C GLU A 60 -7.680 5.557 -6.698 1.00 0.00 C ATOM 912 O GLU A 60 -7.563 4.369 -6.404 1.00 0.00 O ATOM 913 CB GLU A 60 -9.019 6.868 -5.013 1.00 0.00 C ATOM 914 CG GLU A 60 -9.628 5.580 -4.442 1.00 0.00 C ATOM 915 CD GLU A 60 -11.007 5.817 -3.825 1.00 0.00 C ATOM 916 OE1 GLU A 60 -11.298 6.973 -3.443 1.00 0.00 O ATOM 917 OE2 GLU A 60 -11.767 4.828 -3.736 1.00 0.00 O ATOM 0 H GLU A 60 -7.744 8.660 -5.998 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.964 6.223 -4.823 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -8.956 7.622 -4.228 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.672 7.269 -5.788 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.710 4.836 -5.235 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.960 5.168 -3.686 1.00 0.00 H new ATOM 924 N ARG A 61 -7.850 5.953 -7.966 1.00 0.00 N ATOM 925 CA ARG A 61 -7.911 4.983 -9.054 1.00 0.00 C ATOM 926 C ARG A 61 -6.614 4.185 -9.117 1.00 0.00 C ATOM 927 O ARG A 61 -6.628 2.984 -9.380 1.00 0.00 O ATOM 928 CB ARG A 61 -8.168 5.727 -10.369 1.00 0.00 C ATOM 929 CG ARG A 61 -7.955 4.845 -11.601 1.00 0.00 C ATOM 930 CD ARG A 61 -8.791 3.571 -11.547 1.00 0.00 C ATOM 931 NE ARG A 61 -10.229 3.869 -11.549 1.00 0.00 N ATOM 932 CZ ARG A 61 -10.951 4.076 -12.654 1.00 0.00 C ATOM 933 NH1 ARG A 61 -10.395 4.025 -13.861 1.00 0.00 N ATOM 934 NH2 ARG A 61 -12.250 4.340 -12.556 1.00 0.00 N ATOM 0 H ARG A 61 -7.946 6.926 -8.256 1.00 0.00 H new ATOM 0 HA ARG A 61 -8.725 4.279 -8.882 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -9.190 6.107 -10.372 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.506 6.591 -10.428 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -8.212 5.408 -12.498 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.900 4.583 -11.680 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.548 2.939 -12.401 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -8.537 3.006 -10.650 1.00 0.00 H new ATOM 0 HE ARG A 61 -10.707 3.921 -10.649 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.399 3.825 -13.956 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -10.964 4.186 -14.692 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -12.694 4.384 -11.639 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -12.803 4.498 -13.398 1.00 0.00 H new ATOM 948 N ASN A 62 -5.481 4.844 -8.874 1.00 0.00 N ATOM 949 CA ASN A 62 -4.201 4.163 -8.893 1.00 0.00 C ATOM 950 C ASN A 62 -4.057 3.244 -7.679 1.00 0.00 C ATOM 951 O ASN A 62 -3.320 2.260 -7.733 1.00 0.00 O ATOM 952 CB ASN A 62 -3.093 5.212 -8.923 1.00 0.00 C ATOM 953 CG ASN A 62 -2.975 5.840 -10.303 1.00 0.00 C ATOM 954 OD1 ASN A 62 -3.095 7.052 -10.455 1.00 0.00 O ATOM 955 ND2 ASN A 62 -2.742 5.014 -11.316 1.00 0.00 N ATOM 0 H ASN A 62 -5.430 5.841 -8.664 1.00 0.00 H new ATOM 0 HA ASN A 62 -4.130 3.535 -9.781 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -3.300 5.986 -8.184 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.144 4.752 -8.646 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -2.656 5.381 -12.264 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -2.649 4.013 -11.146 1.00 0.00 H new ATOM 962 N ALA A 63 -4.757 3.554 -6.588 1.00 0.00 N ATOM 963 CA ALA A 63 -4.718 2.733 -5.393 1.00 0.00 C ATOM 964 C ALA A 63 -5.562 1.477 -5.591 1.00 0.00 C ATOM 965 O ALA A 63 -5.202 0.406 -5.111 1.00 0.00 O ATOM 966 CB ALA A 63 -5.213 3.551 -4.200 1.00 0.00 C ATOM 0 H ALA A 63 -5.359 4.374 -6.514 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.693 2.418 -5.196 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -5.185 2.936 -3.300 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.572 4.422 -4.065 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.236 3.879 -4.383 1.00 0.00 H new ATOM 972 N ARG A 64 -6.686 1.601 -6.303 1.00 0.00 N ATOM 973 CA ARG A 64 -7.548 0.463 -6.597 1.00 0.00 C ATOM 974 C ARG A 64 -6.835 -0.513 -7.527 1.00 0.00 C ATOM 975 O ARG A 64 -7.108 -1.709 -7.490 1.00 0.00 O ATOM 976 CB ARG A 64 -8.831 0.958 -7.273 1.00 0.00 C ATOM 977 CG ARG A 64 -9.687 1.852 -6.374 1.00 0.00 C ATOM 978 CD ARG A 64 -10.337 1.064 -5.241 1.00 0.00 C ATOM 979 NE ARG A 64 -11.222 1.938 -4.461 1.00 0.00 N ATOM 980 CZ ARG A 64 -12.247 1.520 -3.715 1.00 0.00 C ATOM 981 NH1 ARG A 64 -12.546 0.226 -3.618 1.00 0.00 N ATOM 982 NH2 ARG A 64 -12.981 2.415 -3.058 1.00 0.00 N ATOM 0 H ARG A 64 -7.018 2.486 -6.687 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.791 -0.046 -5.665 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.568 1.509 -8.176 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -9.423 0.098 -7.586 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -9.068 2.645 -5.956 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -10.461 2.333 -6.972 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -10.906 0.228 -5.649 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -9.568 0.641 -4.594 1.00 0.00 H new ATOM 0 HE ARG A 64 -11.040 2.941 -4.491 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -11.988 -0.465 -4.119 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -13.333 -0.074 -3.043 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -12.758 3.408 -3.128 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -13.767 2.108 -2.485 1.00 0.00 H new ATOM 996 N ALA A 65 -5.924 -0.010 -8.364 1.00 0.00 N ATOM 997 CA ALA A 65 -5.207 -0.851 -9.308 1.00 0.00 C ATOM 998 C ALA A 65 -4.084 -1.616 -8.612 1.00 0.00 C ATOM 999 O ALA A 65 -3.782 -2.747 -8.989 1.00 0.00 O ATOM 1000 CB ALA A 65 -4.662 0.034 -10.428 1.00 0.00 C ATOM 0 H ALA A 65 -5.670 0.977 -8.402 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.884 -1.594 -9.729 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.120 -0.581 -11.147 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -5.489 0.536 -10.930 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.987 0.779 -10.007 1.00 0.00 H new ATOM 1006 N ALA A 66 -3.464 -1.016 -7.594 1.00 0.00 N ATOM 1007 CA ALA A 66 -2.385 -1.675 -6.875 1.00 0.00 C ATOM 1008 C ALA A 66 -2.919 -2.615 -5.796 1.00 0.00 C ATOM 1009 O ALA A 66 -2.331 -3.665 -5.549 1.00 0.00 O ATOM 1010 CB ALA A 66 -1.488 -0.602 -6.279 1.00 0.00 C ATOM 0 H ALA A 66 -3.692 -0.082 -7.255 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.813 -2.295 -7.565 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.670 -1.073 -5.734 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.082 0.018 -7.078 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.068 0.020 -5.597 1.00 0.00 H new ATOM 1016 N VAL A 67 -4.034 -2.255 -5.151 1.00 0.00 N ATOM 1017 CA VAL A 67 -4.679 -3.123 -4.170 1.00 0.00 C ATOM 1018 C VAL A 67 -5.202 -4.380 -4.858 1.00 0.00 C ATOM 1019 O VAL A 67 -5.223 -5.445 -4.249 1.00 0.00 O ATOM 1020 CB VAL A 67 -5.819 -2.360 -3.487 1.00 0.00 C ATOM 1021 CG1 VAL A 67 -6.702 -3.284 -2.649 1.00 0.00 C ATOM 1022 CG2 VAL A 67 -5.240 -1.297 -2.555 1.00 0.00 C ATOM 0 H VAL A 67 -4.508 -1.363 -5.295 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.956 -3.424 -3.411 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.422 -1.910 -4.276 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.497 -2.703 -2.182 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.140 -4.049 -3.290 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.099 -3.760 -1.876 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.053 -0.756 -2.071 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.621 -1.776 -1.797 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.633 -0.599 -3.132 1.00 0.00 H new ATOM 1032 N ALA A 68 -5.625 -4.268 -6.120 1.00 0.00 N ATOM 1033 CA ALA A 68 -6.102 -5.419 -6.868 1.00 0.00 C ATOM 1034 C ALA A 68 -4.990 -6.081 -7.686 1.00 0.00 C ATOM 1035 O ALA A 68 -5.190 -7.172 -8.220 1.00 0.00 O ATOM 1036 CB ALA A 68 -7.259 -4.978 -7.766 1.00 0.00 C ATOM 0 H ALA A 68 -5.644 -3.390 -6.639 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.449 -6.173 -6.162 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.626 -5.834 -8.333 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -8.065 -4.578 -7.151 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -6.912 -4.208 -8.455 1.00 0.00 H new ATOM 1042 N GLY A 69 -3.824 -5.436 -7.793 1.00 0.00 N ATOM 1043 CA GLY A 69 -2.718 -5.948 -8.590 1.00 0.00 C ATOM 1044 C GLY A 69 -1.616 -6.613 -7.760 1.00 0.00 C ATOM 1045 O GLY A 69 -0.768 -7.300 -8.325 1.00 0.00 O ATOM 0 H GLY A 69 -3.626 -4.549 -7.330 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.104 -6.670 -9.310 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.284 -5.128 -9.163 1.00 0.00 H new ATOM 1049 N GLU A 70 -1.611 -6.429 -6.436 1.00 0.00 N ATOM 1050 CA GLU A 70 -0.530 -6.924 -5.587 1.00 0.00 C ATOM 1051 C GLU A 70 -1.045 -7.636 -4.335 1.00 0.00 C ATOM 1052 O GLU A 70 -0.305 -8.404 -3.723 1.00 0.00 O ATOM 1053 CB GLU A 70 0.355 -5.746 -5.179 1.00 0.00 C ATOM 1054 CG GLU A 70 1.186 -5.217 -6.352 1.00 0.00 C ATOM 1055 CD GLU A 70 2.325 -6.172 -6.704 1.00 0.00 C ATOM 1056 OE1 GLU A 70 3.201 -6.366 -5.834 1.00 0.00 O ATOM 1057 OE2 GLU A 70 2.325 -6.707 -7.836 1.00 0.00 O ATOM 0 H GLU A 70 -2.348 -5.938 -5.930 1.00 0.00 H new ATOM 0 HA GLU A 70 0.037 -7.657 -6.161 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.269 -4.943 -4.786 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.021 -6.055 -4.374 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.544 -5.078 -7.222 1.00 0.00 H new ATOM 0 HG3 GLU A 70 1.595 -4.239 -6.098 1.00 0.00 H new ATOM 1064 N ASP A 71 -2.294 -7.409 -3.927 1.00 0.00 N ATOM 1065 CA ASP A 71 -2.824 -8.098 -2.763 1.00 0.00 C ATOM 1066 C ASP A 71 -2.830 -9.606 -3.003 1.00 0.00 C ATOM 1067 O ASP A 71 -3.499 -10.092 -3.914 1.00 0.00 O ATOM 1068 CB ASP A 71 -4.235 -7.594 -2.464 1.00 0.00 C ATOM 1069 CG ASP A 71 -4.839 -8.341 -1.278 1.00 0.00 C ATOM 1070 OD1 ASP A 71 -4.131 -8.467 -0.254 1.00 0.00 O ATOM 1071 OD2 ASP A 71 -6.004 -8.780 -1.403 1.00 0.00 O ATOM 0 H ASP A 71 -2.943 -6.765 -4.379 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.189 -7.891 -1.902 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -4.206 -6.526 -2.250 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.867 -7.726 -3.342 1.00 0.00 H new ATOM 1076 N GLY A 72 -2.081 -10.349 -2.184 1.00 0.00 N ATOM 1077 CA GLY A 72 -2.022 -11.796 -2.298 1.00 0.00 C ATOM 1078 C GLY A 72 -0.957 -12.220 -3.298 1.00 0.00 C ATOM 1079 O GLY A 72 -0.892 -13.393 -3.671 1.00 0.00 O ATOM 0 H GLY A 72 -1.507 -9.964 -1.434 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.805 -12.233 -1.323 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -2.993 -12.180 -2.611 1.00 0.00 H new ATOM 1083 N ARG A 73 -0.117 -11.272 -3.729 1.00 0.00 N ATOM 1084 CA ARG A 73 1.048 -11.585 -4.533 1.00 0.00 C ATOM 1085 C ARG A 73 2.081 -12.172 -3.578 1.00 0.00 C ATOM 1086 O ARG A 73 1.895 -12.116 -2.364 1.00 0.00 O ATOM 1087 CB ARG A 73 1.546 -10.330 -5.256 1.00 0.00 C ATOM 1088 CG ARG A 73 2.304 -9.396 -4.307 1.00 0.00 C ATOM 1089 CD ARG A 73 3.810 -9.485 -4.556 1.00 0.00 C ATOM 1090 NE ARG A 73 4.137 -8.918 -5.866 1.00 0.00 N ATOM 1091 CZ ARG A 73 5.012 -9.404 -6.750 1.00 0.00 C ATOM 1092 NH1 ARG A 73 5.717 -10.507 -6.508 1.00 0.00 N ATOM 1093 NH2 ARG A 73 5.181 -8.769 -7.905 1.00 0.00 N ATOM 0 H ARG A 73 -0.232 -10.279 -3.528 1.00 0.00 H new ATOM 0 HA ARG A 73 0.827 -12.306 -5.320 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.198 -10.619 -6.081 1.00 0.00 H new ATOM 0 HB3 ARG A 73 0.699 -9.799 -5.690 1.00 0.00 H new ATOM 0 HG2 ARG A 73 1.966 -8.370 -4.451 1.00 0.00 H new ATOM 0 HG3 ARG A 73 2.084 -9.662 -3.273 1.00 0.00 H new ATOM 0 HD2 ARG A 73 4.348 -8.949 -3.774 1.00 0.00 H new ATOM 0 HD3 ARG A 73 4.133 -10.525 -4.510 1.00 0.00 H new ATOM 0 HE ARG A 73 3.646 -8.064 -6.130 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.596 -11.006 -5.627 1.00 0.00 H new ATOM 0 HH12 ARG A 73 6.378 -10.853 -7.204 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.646 -7.924 -8.105 1.00 0.00 H new ATOM 0 HH22 ARG A 73 5.845 -9.127 -8.591 1.00 0.00 H new ATOM 1107 N MET A 74 3.162 -12.730 -4.105 1.00 0.00 N ATOM 1108 CA MET A 74 4.162 -13.362 -3.267 1.00 0.00 C ATOM 1109 C MET A 74 5.466 -12.589 -3.367 1.00 0.00 C ATOM 1110 O MET A 74 6.026 -12.442 -4.452 1.00 0.00 O ATOM 1111 CB MET A 74 4.306 -14.825 -3.670 1.00 0.00 C ATOM 1112 CG MET A 74 5.168 -15.575 -2.657 1.00 0.00 C ATOM 1113 SD MET A 74 4.925 -17.368 -2.693 1.00 0.00 S ATOM 1114 CE MET A 74 3.252 -17.423 -1.993 1.00 0.00 C ATOM 0 H MET A 74 3.365 -12.756 -5.104 1.00 0.00 H new ATOM 0 HA MET A 74 3.859 -13.345 -2.220 1.00 0.00 H new ATOM 0 HB2 MET A 74 3.322 -15.289 -3.734 1.00 0.00 H new ATOM 0 HB3 MET A 74 4.756 -14.893 -4.661 1.00 0.00 H new ATOM 0 HG2 MET A 74 6.218 -15.354 -2.851 1.00 0.00 H new ATOM 0 HG3 MET A 74 4.944 -15.206 -1.656 1.00 0.00 H new ATOM 0 HE1 MET A 74 2.986 -18.456 -1.767 1.00 0.00 H new ATOM 0 HE2 MET A 74 3.221 -16.831 -1.078 1.00 0.00 H new ATOM 0 HE3 MET A 74 2.543 -17.015 -2.713 1.00 0.00 H new ATOM 1124 N ILE A 75 5.944 -12.092 -2.228 1.00 0.00 N ATOM 1125 CA ILE A 75 7.187 -11.341 -2.169 1.00 0.00 C ATOM 1126 C ILE A 75 8.089 -11.927 -1.089 1.00 0.00 C ATOM 1127 O ILE A 75 7.635 -12.240 0.009 1.00 0.00 O ATOM 1128 CB ILE A 75 6.863 -9.851 -1.975 1.00 0.00 C ATOM 1129 CG1 ILE A 75 7.146 -9.148 -3.309 1.00 0.00 C ATOM 1130 CG2 ILE A 75 7.658 -9.233 -0.823 1.00 0.00 C ATOM 1131 CD1 ILE A 75 6.816 -7.652 -3.279 1.00 0.00 C ATOM 0 H ILE A 75 5.480 -12.200 -1.326 1.00 0.00 H new ATOM 0 HA ILE A 75 7.744 -11.421 -3.102 1.00 0.00 H new ATOM 0 HB ILE A 75 5.816 -9.728 -1.697 1.00 0.00 H new ATOM 0 HG12 ILE A 75 8.197 -9.277 -3.566 1.00 0.00 H new ATOM 0 HG13 ILE A 75 6.564 -9.627 -4.096 1.00 0.00 H new ATOM 0 HG21 ILE A 75 7.396 -8.180 -0.724 1.00 0.00 H new ATOM 0 HG22 ILE A 75 7.420 -9.755 0.104 1.00 0.00 H new ATOM 0 HG23 ILE A 75 8.725 -9.324 -1.027 1.00 0.00 H new ATOM 0 HD11 ILE A 75 7.037 -7.211 -4.251 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.759 -7.517 -3.052 1.00 0.00 H new ATOM 0 HD13 ILE A 75 7.417 -7.162 -2.513 1.00 0.00 H new ATOM 1143 N ALA A 76 9.378 -12.078 -1.409 1.00 0.00 N ATOM 1144 CA ALA A 76 10.340 -12.736 -0.541 1.00 0.00 C ATOM 1145 C ALA A 76 9.887 -14.144 -0.137 1.00 0.00 C ATOM 1146 O ALA A 76 10.398 -14.706 0.831 1.00 0.00 O ATOM 1147 CB ALA A 76 10.653 -11.848 0.660 1.00 0.00 C ATOM 0 H ALA A 76 9.779 -11.742 -2.285 1.00 0.00 H new ATOM 0 HA ALA A 76 11.266 -12.879 -1.099 1.00 0.00 H new ATOM 0 HB1 ALA A 76 11.375 -12.349 1.305 1.00 0.00 H new ATOM 0 HB2 ALA A 76 11.071 -10.902 0.314 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.737 -11.657 1.220 1.00 0.00 H new ATOM 1153 N GLY A 77 8.927 -14.714 -0.877 1.00 0.00 N ATOM 1154 CA GLY A 77 8.390 -16.035 -0.593 1.00 0.00 C ATOM 1155 C GLY A 77 7.209 -15.983 0.373 1.00 0.00 C ATOM 1156 O GLY A 77 6.696 -17.030 0.770 1.00 0.00 O ATOM 0 H GLY A 77 8.505 -14.264 -1.690 1.00 0.00 H new ATOM 0 HA2 GLY A 77 8.075 -16.505 -1.525 1.00 0.00 H new ATOM 0 HA3 GLY A 77 9.176 -16.661 -0.170 1.00 0.00 H new ATOM 1160 N GLN A 78 6.771 -14.781 0.753 1.00 0.00 N ATOM 1161 CA GLN A 78 5.666 -14.595 1.677 1.00 0.00 C ATOM 1162 C GLN A 78 4.581 -13.720 1.043 1.00 0.00 C ATOM 1163 O GLN A 78 4.866 -12.660 0.488 1.00 0.00 O ATOM 1164 CB GLN A 78 6.253 -14.024 2.970 1.00 0.00 C ATOM 1165 CG GLN A 78 5.195 -13.572 3.977 1.00 0.00 C ATOM 1166 CD GLN A 78 5.346 -12.082 4.236 1.00 0.00 C ATOM 1167 OE1 GLN A 78 5.228 -11.283 3.183 1.00 0.00 O flip ATOM 1168 NE2 GLN A 78 5.569 -11.653 5.364 1.00 0.00 N flip ATOM 0 H GLN A 78 7.180 -13.907 0.422 1.00 0.00 H new ATOM 0 HA GLN A 78 5.165 -15.534 1.913 1.00 0.00 H new ATOM 0 HB2 GLN A 78 6.886 -14.779 3.436 1.00 0.00 H new ATOM 0 HB3 GLN A 78 6.894 -13.177 2.725 1.00 0.00 H new ATOM 0 HG2 GLN A 78 4.197 -13.786 3.593 1.00 0.00 H new ATOM 0 HG3 GLN A 78 5.304 -14.127 4.909 1.00 0.00 H new ATOM 0 HE21 GLN A 78 5.653 -12.300 6.148 1.00 0.00 H new ATOM 0 HE22 GLN A 78 5.670 -10.650 5.517 1.00 0.00 H new ATOM 1177 N VAL A 79 3.327 -14.172 1.130 1.00 0.00 N ATOM 1178 CA VAL A 79 2.170 -13.485 0.565 1.00 0.00 C ATOM 1179 C VAL A 79 1.967 -12.135 1.245 1.00 0.00 C ATOM 1180 O VAL A 79 2.153 -12.018 2.455 1.00 0.00 O ATOM 1181 CB VAL A 79 0.928 -14.365 0.756 1.00 0.00 C ATOM 1182 CG1 VAL A 79 -0.297 -13.715 0.120 1.00 0.00 C ATOM 1183 CG2 VAL A 79 1.128 -15.729 0.099 1.00 0.00 C ATOM 0 H VAL A 79 3.087 -15.042 1.605 1.00 0.00 H new ATOM 0 HA VAL A 79 2.336 -13.308 -0.498 1.00 0.00 H new ATOM 0 HB VAL A 79 0.776 -14.483 1.829 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.166 -14.356 0.267 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.477 -12.746 0.585 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -0.123 -13.578 -0.947 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.236 -16.338 0.246 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.305 -15.596 -0.968 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.986 -16.228 0.550 1.00 0.00 H new ATOM 1193 N LEU A 80 1.583 -11.119 0.466 1.00 0.00 N ATOM 1194 CA LEU A 80 1.297 -9.798 1.001 1.00 0.00 C ATOM 1195 C LEU A 80 -0.192 -9.610 1.264 1.00 0.00 C ATOM 1196 O LEU A 80 -1.030 -10.277 0.659 1.00 0.00 O ATOM 1197 CB LEU A 80 1.804 -8.710 0.051 1.00 0.00 C ATOM 1198 CG LEU A 80 3.285 -8.876 -0.295 1.00 0.00 C ATOM 1199 CD1 LEU A 80 3.744 -7.634 -1.053 1.00 0.00 C ATOM 1200 CD2 LEU A 80 4.132 -9.014 0.963 1.00 0.00 C ATOM 0 H LEU A 80 1.464 -11.195 -0.544 1.00 0.00 H new ATOM 0 HA LEU A 80 1.821 -9.711 1.953 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.216 -8.731 -0.866 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.648 -7.733 0.508 1.00 0.00 H new ATOM 0 HG LEU A 80 3.405 -9.777 -0.897 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.799 -7.733 -1.309 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.158 -7.527 -1.966 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.604 -6.753 -0.427 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.180 -9.130 0.685 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.017 -8.122 1.579 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.807 -9.888 1.527 1.00 0.00 H new ATOM 1212 N ASP A 81 -0.514 -8.685 2.173 1.00 0.00 N ATOM 1213 CA ASP A 81 -1.886 -8.320 2.497 1.00 0.00 C ATOM 1214 C ASP A 81 -2.036 -6.816 2.275 1.00 0.00 C ATOM 1215 O ASP A 81 -1.667 -6.011 3.131 1.00 0.00 O ATOM 1216 CB ASP A 81 -2.200 -8.729 3.939 1.00 0.00 C ATOM 1217 CG ASP A 81 -2.472 -10.227 4.035 1.00 0.00 C ATOM 1218 OD1 ASP A 81 -3.654 -10.610 3.883 1.00 0.00 O ATOM 1219 OD2 ASP A 81 -1.501 -10.983 4.259 1.00 0.00 O ATOM 0 H ASP A 81 0.182 -8.166 2.708 1.00 0.00 H new ATOM 0 HA ASP A 81 -2.599 -8.841 1.857 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -1.363 -8.465 4.586 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -3.067 -8.174 4.298 1.00 0.00 H new ATOM 1224 N ILE A 82 -2.576 -6.445 1.114 1.00 0.00 N ATOM 1225 CA ILE A 82 -2.599 -5.063 0.653 1.00 0.00 C ATOM 1226 C ILE A 82 -4.035 -4.539 0.598 1.00 0.00 C ATOM 1227 O ILE A 82 -4.949 -5.253 0.191 1.00 0.00 O ATOM 1228 CB ILE A 82 -1.884 -4.993 -0.697 1.00 0.00 C ATOM 1229 CG1 ILE A 82 -0.407 -5.328 -0.458 1.00 0.00 C ATOM 1230 CG2 ILE A 82 -2.009 -3.604 -1.333 1.00 0.00 C ATOM 1231 CD1 ILE A 82 0.278 -5.755 -1.745 1.00 0.00 C ATOM 0 H ILE A 82 -3.011 -7.101 0.466 1.00 0.00 H new ATOM 0 HA ILE A 82 -2.071 -4.414 1.351 1.00 0.00 H new ATOM 0 HB ILE A 82 -2.342 -5.702 -1.386 1.00 0.00 H new ATOM 0 HG12 ILE A 82 0.103 -4.458 -0.044 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.328 -6.126 0.280 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.488 -3.594 -2.291 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -3.062 -3.369 -1.490 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -1.566 -2.860 -0.671 1.00 0.00 H new ATOM 0 HD11 ILE A 82 1.324 -5.985 -1.541 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -0.217 -6.640 -2.145 1.00 0.00 H new ATOM 0 HD13 ILE A 82 0.220 -4.946 -2.474 1.00 0.00 H new ATOM 1243 N ASN A 83 -4.224 -3.283 1.011 1.00 0.00 N ATOM 1244 CA ASN A 83 -5.537 -2.660 1.103 1.00 0.00 C ATOM 1245 C ASN A 83 -5.386 -1.141 1.057 1.00 0.00 C ATOM 1246 O ASN A 83 -4.283 -0.625 1.224 1.00 0.00 O ATOM 1247 CB ASN A 83 -6.176 -3.099 2.422 1.00 0.00 C ATOM 1248 CG ASN A 83 -7.640 -2.702 2.512 1.00 0.00 C ATOM 1249 OD1 ASN A 83 -8.516 -3.389 1.991 1.00 0.00 O ATOM 1250 ND2 ASN A 83 -7.924 -1.585 3.174 1.00 0.00 N ATOM 0 H ASN A 83 -3.460 -2.669 1.292 1.00 0.00 H new ATOM 0 HA ASN A 83 -6.169 -2.964 0.269 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -6.088 -4.181 2.524 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -5.629 -2.655 3.254 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -8.892 -1.276 3.261 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -7.174 -1.037 3.595 1.00 0.00 H new ATOM 1257 N LEU A 84 -6.481 -0.407 0.836 1.00 0.00 N ATOM 1258 CA LEU A 84 -6.454 1.046 0.921 1.00 0.00 C ATOM 1259 C LEU A 84 -6.106 1.465 2.347 1.00 0.00 C ATOM 1260 O LEU A 84 -6.401 0.745 3.299 1.00 0.00 O ATOM 1261 CB LEU A 84 -7.814 1.622 0.524 1.00 0.00 C ATOM 1262 CG LEU A 84 -8.185 1.316 -0.927 1.00 0.00 C ATOM 1263 CD1 LEU A 84 -9.588 1.847 -1.202 1.00 0.00 C ATOM 1264 CD2 LEU A 84 -7.215 1.984 -1.899 1.00 0.00 C ATOM 0 H LEU A 84 -7.392 -0.799 0.598 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.699 1.432 0.236 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -8.582 1.217 1.184 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -7.803 2.702 0.672 1.00 0.00 H new ATOM 0 HG LEU A 84 -8.139 0.237 -1.072 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -9.862 1.633 -2.235 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -10.298 1.363 -0.531 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -9.608 2.924 -1.037 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -7.505 1.748 -2.923 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -7.241 3.064 -1.755 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -6.205 1.618 -1.715 1.00 0.00 H new ATOM 1276 N ALA A 85 -5.481 2.632 2.499 1.00 0.00 N ATOM 1277 CA ALA A 85 -5.061 3.135 3.799 1.00 0.00 C ATOM 1278 C ALA A 85 -6.221 3.700 4.627 1.00 0.00 C ATOM 1279 O ALA A 85 -5.989 4.190 5.731 1.00 0.00 O ATOM 1280 CB ALA A 85 -3.980 4.194 3.598 1.00 0.00 C ATOM 0 H ALA A 85 -5.253 3.253 1.722 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.665 2.294 4.368 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -3.660 4.576 4.567 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -3.128 3.751 3.083 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.380 5.013 2.999 1.00 0.00 H new ATOM 1463 N LYS A 98 -5.588 -16.323 9.224 1.00 0.00 N ATOM 1464 CA LYS A 98 -6.724 -15.599 8.661 1.00 0.00 C ATOM 1465 C LYS A 98 -8.023 -15.935 9.396 1.00 0.00 C ATOM 1466 O LYS A 98 -9.111 -15.734 8.859 1.00 0.00 O ATOM 1467 CB LYS A 98 -6.829 -15.889 7.157 1.00 0.00 C ATOM 1468 CG LYS A 98 -5.520 -15.619 6.407 1.00 0.00 C ATOM 1469 CD LYS A 98 -5.106 -14.149 6.460 1.00 0.00 C ATOM 1470 CE LYS A 98 -3.737 -13.992 5.793 1.00 0.00 C ATOM 1471 NZ LYS A 98 -3.288 -12.586 5.811 1.00 0.00 N ATOM 0 HA LYS A 98 -6.559 -14.530 8.795 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -7.118 -16.930 7.012 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -7.621 -15.276 6.728 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -4.727 -16.232 6.835 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -5.632 -15.924 5.367 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -5.846 -13.531 5.951 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -5.062 -13.807 7.494 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -3.006 -14.616 6.308 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -3.789 -14.346 4.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -2.299 -12.533 5.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -3.887 -12.022 5.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -3.361 -12.211 6.778 1.00 0.00 H new ATOM 1485 N ARG A 99 -7.905 -16.448 10.624 1.00 0.00 N ATOM 1486 CA ARG A 99 -9.035 -16.834 11.458 1.00 0.00 C ATOM 1487 C ARG A 99 -9.133 -15.947 12.691 1.00 0.00 C ATOM 1488 O ARG A 99 -8.256 -15.125 12.952 1.00 0.00 O ATOM 1489 CB ARG A 99 -8.917 -18.309 11.835 1.00 0.00 C ATOM 1490 CG ARG A 99 -9.500 -19.130 10.691 1.00 0.00 C ATOM 1491 CD ARG A 99 -9.493 -20.608 11.067 1.00 0.00 C ATOM 1492 NE ARG A 99 -10.038 -21.436 9.985 1.00 0.00 N ATOM 1493 CZ ARG A 99 -10.227 -22.754 10.070 1.00 0.00 C ATOM 1494 NH1 ARG A 99 -9.930 -23.411 11.188 1.00 0.00 N ATOM 1495 NH2 ARG A 99 -10.714 -23.426 9.033 1.00 0.00 N ATOM 0 H ARG A 99 -7.002 -16.608 11.070 1.00 0.00 H new ATOM 0 HA ARG A 99 -9.956 -16.696 10.892 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -7.874 -18.578 12.005 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -9.454 -18.511 12.762 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -10.518 -18.803 10.477 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -8.918 -18.972 9.783 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -8.474 -20.924 11.291 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -10.080 -20.758 11.973 1.00 0.00 H new ATOM 0 HE ARG A 99 -10.289 -20.974 9.111 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -9.554 -22.907 11.991 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -10.078 -24.419 11.242 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -10.944 -22.934 8.169 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -10.858 -24.434 9.100 1.00 0.00 H new ATOM 1509 N SER A 100 -10.218 -16.126 13.447 1.00 0.00 N ATOM 1510 CA SER A 100 -10.504 -15.343 14.638 1.00 0.00 C ATOM 1511 C SER A 100 -9.500 -15.623 15.754 1.00 0.00 C ATOM 1512 O SER A 100 -9.460 -14.896 16.747 1.00 0.00 O ATOM 1513 CB SER A 100 -11.910 -15.697 15.118 1.00 0.00 C ATOM 1514 OG SER A 100 -12.393 -14.703 16.001 1.00 0.00 O ATOM 0 H SER A 100 -10.928 -16.829 13.242 1.00 0.00 H new ATOM 0 HA SER A 100 -10.430 -14.285 14.387 1.00 0.00 H new ATOM 0 HB2 SER A 100 -12.580 -15.791 14.264 1.00 0.00 H new ATOM 0 HB3 SER A 100 -11.897 -16.664 15.621 1.00 0.00 H new ATOM 0 HG SER A 100 -11.642 -14.308 16.492 1.00 0.00 H new ATOM 1520 N ALA A 101 -8.691 -16.678 15.592 1.00 0.00 N ATOM 1521 CA ALA A 101 -7.754 -17.158 16.599 1.00 0.00 C ATOM 1522 C ALA A 101 -8.442 -17.499 17.927 1.00 0.00 C ATOM 1523 O ALA A 101 -7.773 -17.744 18.929 1.00 0.00 O ATOM 1524 CB ALA A 101 -6.604 -16.163 16.754 1.00 0.00 C ATOM 0 H ALA A 101 -8.674 -17.230 14.734 1.00 0.00 H new ATOM 0 HA ALA A 101 -7.331 -18.102 16.255 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -5.907 -16.527 17.508 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -6.085 -16.056 15.802 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.999 -15.195 17.063 1.00 0.00 H new ATOM 1530 N ALA A 102 -9.781 -17.518 17.931 1.00 0.00 N ATOM 1531 CA ALA A 102 -10.582 -17.853 19.098 1.00 0.00 C ATOM 1532 C ALA A 102 -11.868 -18.583 18.699 1.00 0.00 C ATOM 1533 O ALA A 102 -12.701 -18.882 19.551 1.00 0.00 O ATOM 1534 CB ALA A 102 -10.894 -16.573 19.869 1.00 0.00 C ATOM 0 H ALA A 102 -10.340 -17.296 17.107 1.00 0.00 H new ATOM 0 HA ALA A 102 -10.017 -18.531 19.737 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -11.495 -16.814 20.746 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -9.963 -16.102 20.185 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -11.448 -15.888 19.227 1.00 0.00 H new ATOM 1540 N GLU A 103 -12.038 -18.875 17.402 1.00 0.00 N ATOM 1541 CA GLU A 103 -13.239 -19.527 16.894 1.00 0.00 C ATOM 1542 C GLU A 103 -13.162 -21.046 17.049 1.00 0.00 C ATOM 1543 O GLU A 103 -14.116 -21.757 16.734 1.00 0.00 O ATOM 1544 CB GLU A 103 -13.479 -19.131 15.436 1.00 0.00 C ATOM 1545 CG GLU A 103 -12.346 -19.597 14.520 1.00 0.00 C ATOM 1546 CD GLU A 103 -12.606 -19.159 13.080 1.00 0.00 C ATOM 1547 OE1 GLU A 103 -12.161 -18.041 12.734 1.00 0.00 O ATOM 1548 OE2 GLU A 103 -13.240 -19.943 12.341 1.00 0.00 O ATOM 0 H GLU A 103 -11.346 -18.664 16.683 1.00 0.00 H new ATOM 0 HA GLU A 103 -14.087 -19.187 17.489 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -14.421 -19.560 15.094 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -13.579 -18.048 15.367 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -11.398 -19.185 14.866 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -12.257 -20.682 14.566 1.00 0.00 H new ATOM 1555 N MET A 104 -12.020 -21.541 17.534 1.00 0.00 N ATOM 1556 CA MET A 104 -11.767 -22.964 17.721 1.00 0.00 C ATOM 1557 C MET A 104 -11.699 -23.331 19.206 1.00 0.00 C ATOM 1558 O MET A 104 -11.316 -24.451 19.546 1.00 0.00 O ATOM 1559 CB MET A 104 -10.480 -23.354 16.992 1.00 0.00 C ATOM 1560 CG MET A 104 -10.600 -23.060 15.494 1.00 0.00 C ATOM 1561 SD MET A 104 -9.129 -23.476 14.519 1.00 0.00 S ATOM 1562 CE MET A 104 -7.981 -22.231 15.167 1.00 0.00 C ATOM 0 H MET A 104 -11.235 -20.951 17.811 1.00 0.00 H new ATOM 0 HA MET A 104 -12.598 -23.526 17.295 1.00 0.00 H new ATOM 0 HB2 MET A 104 -9.637 -22.803 17.410 1.00 0.00 H new ATOM 0 HB3 MET A 104 -10.276 -24.414 17.145 1.00 0.00 H new ATOM 0 HG2 MET A 104 -11.451 -23.613 15.096 1.00 0.00 H new ATOM 0 HG3 MET A 104 -10.819 -22.000 15.362 1.00 0.00 H new ATOM 0 HE1 MET A 104 -7.092 -22.193 14.537 1.00 0.00 H new ATOM 0 HE2 MET A 104 -8.466 -21.255 15.169 1.00 0.00 H new ATOM 0 HE3 MET A 104 -7.694 -22.496 16.185 1.00 0.00 H new ATOM 1572 N TYR A 105 -12.065 -22.397 20.084 1.00 0.00 N ATOM 1573 CA TYR A 105 -11.999 -22.599 21.529 1.00 0.00 C ATOM 1574 C TYR A 105 -13.334 -22.278 22.200 1.00 0.00 C ATOM 1575 O TYR A 105 -13.431 -22.320 23.427 1.00 0.00 O ATOM 1576 CB TYR A 105 -10.869 -21.749 22.107 1.00 0.00 C ATOM 1577 CG TYR A 105 -9.522 -21.996 21.467 1.00 0.00 C ATOM 1578 CD1 TYR A 105 -9.149 -21.263 20.328 1.00 0.00 C ATOM 1579 CD2 TYR A 105 -8.643 -22.948 22.005 1.00 0.00 C ATOM 1580 CE1 TYR A 105 -7.897 -21.469 19.734 1.00 0.00 C ATOM 1581 CE2 TYR A 105 -7.390 -23.165 21.414 1.00 0.00 C ATOM 1582 CZ TYR A 105 -7.011 -22.425 20.276 1.00 0.00 C ATOM 1583 OH TYR A 105 -5.791 -22.628 19.699 1.00 0.00 O ATOM 0 H TYR A 105 -12.416 -21.479 19.812 1.00 0.00 H new ATOM 0 HA TYR A 105 -11.791 -23.650 21.729 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -11.126 -20.696 21.993 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -10.792 -21.944 23.177 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -9.830 -20.538 19.909 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -8.932 -23.516 22.877 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -7.610 -20.898 18.863 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -6.716 -23.899 21.831 1.00 0.00 H new ATOM 0 HH TYR A 105 -5.305 -23.319 20.196 1.00 0.00 H new ATOM 1593 N GLY A 106 -14.360 -21.952 21.405 1.00 0.00 N ATOM 1594 CA GLY A 106 -15.686 -21.626 21.911 1.00 0.00 C ATOM 1595 C GLY A 106 -16.374 -22.856 22.490 1.00 0.00 C ATOM 1596 O GLY A 106 -15.801 -23.943 22.490 1.00 0.00 O ATOM 1597 OXT GLY A 106 -17.497 -22.791 22.961 1.00 0.00 O ATOM 0 H GLY A 106 -14.287 -21.909 20.389 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -15.606 -20.856 22.678 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -16.293 -21.212 21.106 1.00 0.00 H new