USER MOD reduce.3.24.130724 H: found=0, std=0, add=646, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 648 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 35 LYS NZ :NH3+ 152:sc= 1.34 (180deg=0.495) USER MOD Set 1.2: A 67 ASN : amide:sc= -0.709 K(o=0.63,f=-4.8!) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 11 LYS NZ :NH3+ 176:sc= 1.23 (180deg=1.21) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot -170:sc= -0.343 USER MOD Single : A 23 LYS NZ :NH3+ 166:sc= 1.23 (180deg=0.95) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0713 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.625 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 74:sc= 1.26 USER MOD Single : A 40 SER OG : rot 77:sc= 0.878 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ -151:sc= 1.46 (180deg=1.16) USER MOD Single : A 52 THR OG1 : rot 56:sc= 1.26 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc=-0.00236 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 79:sc= 1.23 USER MOD Single : A 69 LYS NZ :NH3+ -156:sc= 1.26 (180deg=1.18) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.237 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot -28:sc= -1.6! USER MOD Single : A 86 THR OG1 : rot 170:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 MET CE :methyl -160:sc= -2.94! (180deg=-4.5!) USER MOD Single : A 89 HIS : no HE2:sc= -0.802 K(o=-0.8,f=-2.3!) USER MOD Single : A 93 GLN : amide:sc= -1.76! C(o=-1.8!,f=-5.9!) USER MOD ----------------------------------------------------------------- ATOM 89 N GLN A 7 10.449 -5.725 0.918 1.00 0.00 N ATOM 90 CA GLN A 7 11.393 -5.074 1.769 1.00 0.00 C ATOM 91 C GLN A 7 12.403 -6.152 2.134 1.00 0.00 C ATOM 92 O GLN A 7 12.478 -7.170 1.438 1.00 0.00 O ATOM 93 CB GLN A 7 10.663 -4.562 3.012 1.00 0.00 C ATOM 94 CG GLN A 7 9.537 -3.584 2.700 1.00 0.00 C ATOM 95 CD GLN A 7 8.762 -3.162 3.932 1.00 0.00 C ATOM 96 OE1 GLN A 7 9.100 -2.182 4.591 1.00 0.00 O ATOM 97 NE2 GLN A 7 7.712 -3.888 4.242 1.00 0.00 N ATOM 0 HA GLN A 7 11.881 -4.220 1.299 1.00 0.00 H new ATOM 0 HB2 GLN A 7 10.254 -5.412 3.558 1.00 0.00 H new ATOM 0 HB3 GLN A 7 11.382 -4.076 3.671 1.00 0.00 H new ATOM 0 HG2 GLN A 7 9.954 -2.699 2.219 1.00 0.00 H new ATOM 0 HG3 GLN A 7 8.853 -4.042 1.986 1.00 0.00 H new ATOM 0 HE21 GLN A 7 7.463 -4.695 3.670 1.00 0.00 H new ATOM 0 HE22 GLN A 7 7.146 -3.645 5.055 1.00 0.00 H new ATOM 106 N LEU A 8 13.154 -5.997 3.173 1.00 0.00 N ATOM 107 CA LEU A 8 14.049 -7.059 3.496 1.00 0.00 C ATOM 108 C LEU A 8 13.396 -7.968 4.488 1.00 0.00 C ATOM 109 O LEU A 8 12.925 -7.540 5.530 1.00 0.00 O ATOM 110 CB LEU A 8 15.415 -6.586 3.973 1.00 0.00 C ATOM 111 CG LEU A 8 16.290 -5.825 2.942 1.00 0.00 C ATOM 112 CD1 LEU A 8 15.752 -4.434 2.612 1.00 0.00 C ATOM 113 CD2 LEU A 8 17.744 -5.777 3.379 1.00 0.00 C ATOM 0 H LEU A 8 13.170 -5.184 3.789 1.00 0.00 H new ATOM 0 HA LEU A 8 14.254 -7.608 2.577 1.00 0.00 H new ATOM 0 HB2 LEU A 8 15.268 -5.939 4.837 1.00 0.00 H new ATOM 0 HB3 LEU A 8 15.975 -7.456 4.318 1.00 0.00 H new ATOM 0 HG LEU A 8 16.238 -6.395 2.014 1.00 0.00 H new ATOM 0 HD11 LEU A 8 16.408 -3.953 1.886 1.00 0.00 H new ATOM 0 HD12 LEU A 8 14.749 -4.522 2.194 1.00 0.00 H new ATOM 0 HD13 LEU A 8 15.715 -3.833 3.521 1.00 0.00 H new ATOM 0 HD21 LEU A 8 18.330 -5.237 2.635 1.00 0.00 H new ATOM 0 HD22 LEU A 8 17.819 -5.267 4.339 1.00 0.00 H new ATOM 0 HD23 LEU A 8 18.128 -6.792 3.476 1.00 0.00 H new ATOM 125 N GLU A 9 13.356 -9.210 4.165 1.00 0.00 N ATOM 126 CA GLU A 9 12.651 -10.147 4.968 1.00 0.00 C ATOM 127 C GLU A 9 13.555 -10.739 5.996 1.00 0.00 C ATOM 128 O GLU A 9 14.670 -11.171 5.701 1.00 0.00 O ATOM 129 CB GLU A 9 12.016 -11.227 4.116 1.00 0.00 C ATOM 130 CG GLU A 9 11.044 -10.688 3.075 1.00 0.00 C ATOM 131 CD GLU A 9 10.467 -11.771 2.208 1.00 0.00 C ATOM 132 OE1 GLU A 9 11.152 -12.206 1.260 1.00 0.00 O ATOM 133 OE2 GLU A 9 9.324 -12.218 2.462 1.00 0.00 O ATOM 0 H GLU A 9 13.808 -9.606 3.341 1.00 0.00 H new ATOM 0 HA GLU A 9 11.849 -9.618 5.483 1.00 0.00 H new ATOM 0 HB2 GLU A 9 12.802 -11.789 3.611 1.00 0.00 H new ATOM 0 HB3 GLU A 9 11.490 -11.927 4.764 1.00 0.00 H new ATOM 0 HG2 GLU A 9 10.234 -10.160 3.578 1.00 0.00 H new ATOM 0 HG3 GLU A 9 11.557 -9.960 2.447 1.00 0.00 H new ATOM 140 N ILE A 10 13.088 -10.741 7.188 1.00 0.00 N ATOM 141 CA ILE A 10 13.832 -11.238 8.298 1.00 0.00 C ATOM 142 C ILE A 10 13.062 -12.358 8.942 1.00 0.00 C ATOM 143 O ILE A 10 11.826 -12.308 9.015 1.00 0.00 O ATOM 144 CB ILE A 10 14.064 -10.119 9.369 1.00 0.00 C ATOM 145 CG1 ILE A 10 14.788 -8.905 8.743 1.00 0.00 C ATOM 146 CG2 ILE A 10 14.855 -10.663 10.558 1.00 0.00 C ATOM 147 CD1 ILE A 10 15.027 -7.749 9.697 1.00 0.00 C ATOM 0 H ILE A 10 12.161 -10.392 7.431 1.00 0.00 H new ATOM 0 HA ILE A 10 14.799 -11.586 7.934 1.00 0.00 H new ATOM 0 HB ILE A 10 13.090 -9.788 9.730 1.00 0.00 H new ATOM 0 HG12 ILE A 10 15.748 -9.236 8.347 1.00 0.00 H new ATOM 0 HG13 ILE A 10 14.201 -8.545 7.898 1.00 0.00 H new ATOM 0 HG21 ILE A 10 15.005 -9.869 11.289 1.00 0.00 H new ATOM 0 HG22 ILE A 10 14.302 -11.482 11.019 1.00 0.00 H new ATOM 0 HG23 ILE A 10 15.823 -11.027 10.215 1.00 0.00 H new ATOM 0 HD11 ILE A 10 15.540 -6.943 9.171 1.00 0.00 H new ATOM 0 HD12 ILE A 10 14.071 -7.385 10.075 1.00 0.00 H new ATOM 0 HD13 ILE A 10 15.642 -8.087 10.531 1.00 0.00 H new ATOM 159 N LYS A 11 13.763 -13.367 9.369 1.00 0.00 N ATOM 160 CA LYS A 11 13.171 -14.391 10.142 1.00 0.00 C ATOM 161 C LYS A 11 14.020 -14.608 11.362 1.00 0.00 C ATOM 162 O LYS A 11 15.215 -14.253 11.374 1.00 0.00 O ATOM 163 CB LYS A 11 12.919 -15.700 9.393 1.00 0.00 C ATOM 164 CG LYS A 11 14.119 -16.490 8.943 1.00 0.00 C ATOM 165 CD LYS A 11 13.628 -17.814 8.392 1.00 0.00 C ATOM 166 CE LYS A 11 14.746 -18.738 8.014 1.00 0.00 C ATOM 167 NZ LYS A 11 14.218 -20.055 7.590 1.00 0.00 N ATOM 0 H LYS A 11 14.758 -13.493 9.186 1.00 0.00 H new ATOM 0 HA LYS A 11 12.171 -14.054 10.416 1.00 0.00 H new ATOM 0 HB2 LYS A 11 12.315 -16.343 10.034 1.00 0.00 H new ATOM 0 HB3 LYS A 11 12.318 -15.473 8.513 1.00 0.00 H new ATOM 0 HG2 LYS A 11 14.672 -15.942 8.181 1.00 0.00 H new ATOM 0 HG3 LYS A 11 14.802 -16.654 9.777 1.00 0.00 H new ATOM 0 HD2 LYS A 11 12.997 -18.300 9.136 1.00 0.00 H new ATOM 0 HD3 LYS A 11 13.004 -17.629 7.517 1.00 0.00 H new ATOM 0 HE2 LYS A 11 15.330 -18.298 7.206 1.00 0.00 H new ATOM 0 HE3 LYS A 11 15.420 -18.867 8.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 15.003 -20.657 7.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 13.738 -20.511 8.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 13.541 -19.923 6.811 1.00 0.00 H new ATOM 181 N PHE A 12 13.448 -15.167 12.367 1.00 0.00 N ATOM 182 CA PHE A 12 14.122 -15.293 13.625 1.00 0.00 C ATOM 183 C PHE A 12 14.324 -16.746 13.994 1.00 0.00 C ATOM 184 O PHE A 12 13.450 -17.567 13.752 1.00 0.00 O ATOM 185 CB PHE A 12 13.291 -14.607 14.702 1.00 0.00 C ATOM 186 CG PHE A 12 12.996 -13.154 14.431 1.00 0.00 C ATOM 187 CD1 PHE A 12 13.958 -12.190 14.646 1.00 0.00 C ATOM 188 CD2 PHE A 12 11.752 -12.757 13.960 1.00 0.00 C ATOM 189 CE1 PHE A 12 13.696 -10.856 14.401 1.00 0.00 C ATOM 190 CE2 PHE A 12 11.479 -11.425 13.714 1.00 0.00 C ATOM 191 CZ PHE A 12 12.455 -10.471 13.936 1.00 0.00 C ATOM 0 H PHE A 12 12.503 -15.551 12.349 1.00 0.00 H new ATOM 0 HA PHE A 12 15.102 -14.824 13.544 1.00 0.00 H new ATOM 0 HB2 PHE A 12 12.348 -15.142 14.812 1.00 0.00 H new ATOM 0 HB3 PHE A 12 13.815 -14.687 15.654 1.00 0.00 H new ATOM 0 HD1 PHE A 12 14.931 -12.482 15.012 1.00 0.00 H new ATOM 0 HD2 PHE A 12 10.987 -13.499 13.783 1.00 0.00 H new ATOM 0 HE1 PHE A 12 14.462 -10.115 14.573 1.00 0.00 H new ATOM 0 HE2 PHE A 12 10.506 -11.130 13.349 1.00 0.00 H new ATOM 0 HZ PHE A 12 12.247 -9.428 13.746 1.00 0.00 H new ATOM 201 N ARG A 13 15.480 -17.061 14.548 1.00 0.00 N ATOM 202 CA ARG A 13 15.758 -18.392 15.046 1.00 0.00 C ATOM 203 C ARG A 13 15.934 -18.394 16.534 1.00 0.00 C ATOM 204 O ARG A 13 16.714 -17.632 17.067 1.00 0.00 O ATOM 205 CB ARG A 13 16.962 -19.056 14.381 1.00 0.00 C ATOM 206 CG ARG A 13 16.682 -19.601 13.007 1.00 0.00 C ATOM 207 CD ARG A 13 17.841 -20.432 12.488 1.00 0.00 C ATOM 208 NE ARG A 13 17.512 -21.086 11.211 1.00 0.00 N ATOM 209 CZ ARG A 13 17.518 -22.422 11.009 1.00 0.00 C ATOM 210 NH1 ARG A 13 17.857 -23.254 11.986 1.00 0.00 N ATOM 211 NH2 ARG A 13 17.191 -22.917 9.832 1.00 0.00 N ATOM 0 H ARG A 13 16.250 -16.402 14.665 1.00 0.00 H new ATOM 0 HA ARG A 13 14.882 -18.985 14.784 1.00 0.00 H new ATOM 0 HB2 ARG A 13 17.773 -18.330 14.314 1.00 0.00 H new ATOM 0 HB3 ARG A 13 17.313 -19.868 15.018 1.00 0.00 H new ATOM 0 HG2 ARG A 13 15.779 -20.212 13.034 1.00 0.00 H new ATOM 0 HG3 ARG A 13 16.489 -18.777 12.321 1.00 0.00 H new ATOM 0 HD2 ARG A 13 18.715 -19.795 12.356 1.00 0.00 H new ATOM 0 HD3 ARG A 13 18.106 -21.188 13.227 1.00 0.00 H new ATOM 0 HE ARG A 13 17.262 -20.489 10.423 1.00 0.00 H new ATOM 0 HH11 ARG A 13 18.117 -22.887 12.901 1.00 0.00 H new ATOM 0 HH12 ARG A 13 17.858 -24.261 11.821 1.00 0.00 H new ATOM 0 HH21 ARG A 13 16.932 -22.291 9.069 1.00 0.00 H new ATOM 0 HH22 ARG A 13 17.197 -23.926 9.684 1.00 0.00 H new ATOM 225 N LEU A 14 15.219 -19.261 17.187 1.00 0.00 N ATOM 226 CA LEU A 14 15.255 -19.390 18.625 1.00 0.00 C ATOM 227 C LEU A 14 16.488 -20.169 19.070 1.00 0.00 C ATOM 228 O LEU A 14 17.221 -20.725 18.246 1.00 0.00 O ATOM 229 CB LEU A 14 13.983 -20.103 19.154 1.00 0.00 C ATOM 230 CG LEU A 14 12.618 -19.368 19.052 1.00 0.00 C ATOM 231 CD1 LEU A 14 12.199 -19.094 17.612 1.00 0.00 C ATOM 232 CD2 LEU A 14 11.547 -20.171 19.766 1.00 0.00 C ATOM 0 H LEU A 14 14.580 -19.914 16.733 1.00 0.00 H new ATOM 0 HA LEU A 14 15.297 -18.383 19.040 1.00 0.00 H new ATOM 0 HB2 LEU A 14 13.889 -21.049 18.622 1.00 0.00 H new ATOM 0 HB3 LEU A 14 14.151 -20.343 20.204 1.00 0.00 H new ATOM 0 HG LEU A 14 12.739 -18.398 19.534 1.00 0.00 H new ATOM 0 HD11 LEU A 14 11.238 -18.579 17.604 1.00 0.00 H new ATOM 0 HD12 LEU A 14 12.949 -18.470 17.127 1.00 0.00 H new ATOM 0 HD13 LEU A 14 12.109 -20.037 17.073 1.00 0.00 H new ATOM 0 HD21 LEU A 14 10.592 -19.651 19.691 1.00 0.00 H new ATOM 0 HD22 LEU A 14 11.462 -21.155 19.305 1.00 0.00 H new ATOM 0 HD23 LEU A 14 11.817 -20.285 20.816 1.00 0.00 H new ATOM 244 N THR A 15 16.694 -20.227 20.375 1.00 0.00 N ATOM 245 CA THR A 15 17.805 -20.964 20.977 1.00 0.00 C ATOM 246 C THR A 15 17.655 -22.472 20.706 1.00 0.00 C ATOM 247 O THR A 15 18.624 -23.229 20.711 1.00 0.00 O ATOM 248 CB THR A 15 17.863 -20.689 22.509 1.00 0.00 C ATOM 249 OG1 THR A 15 18.991 -21.339 23.132 1.00 0.00 O ATOM 250 CG2 THR A 15 16.573 -21.116 23.208 1.00 0.00 C ATOM 0 H THR A 15 16.093 -19.762 21.056 1.00 0.00 H new ATOM 0 HA THR A 15 18.737 -20.624 20.527 1.00 0.00 H new ATOM 0 HB THR A 15 17.982 -19.611 22.621 1.00 0.00 H new ATOM 0 HG1 THR A 15 18.993 -21.141 24.092 1.00 0.00 H new ATOM 0 HG21 THR A 15 16.652 -20.908 24.275 1.00 0.00 H new ATOM 0 HG22 THR A 15 15.733 -20.561 22.791 1.00 0.00 H new ATOM 0 HG23 THR A 15 16.413 -22.184 23.057 1.00 0.00 H new ATOM 258 N ASP A 16 16.432 -22.866 20.453 1.00 0.00 N ATOM 259 CA ASP A 16 16.085 -24.256 20.147 1.00 0.00 C ATOM 260 C ASP A 16 16.394 -24.598 18.682 1.00 0.00 C ATOM 261 O ASP A 16 16.352 -25.749 18.275 1.00 0.00 O ATOM 262 CB ASP A 16 14.600 -24.491 20.465 1.00 0.00 C ATOM 263 CG ASP A 16 14.117 -25.898 20.163 1.00 0.00 C ATOM 264 OD1 ASP A 16 14.483 -26.838 20.904 1.00 0.00 O ATOM 265 OD2 ASP A 16 13.336 -26.075 19.212 1.00 0.00 O ATOM 0 H ASP A 16 15.632 -22.234 20.450 1.00 0.00 H new ATOM 0 HA ASP A 16 16.693 -24.916 20.766 1.00 0.00 H new ATOM 0 HB2 ASP A 16 14.427 -24.278 21.520 1.00 0.00 H new ATOM 0 HB3 ASP A 16 14.001 -23.782 19.894 1.00 0.00 H new ATOM 270 N GLY A 17 16.734 -23.587 17.905 1.00 0.00 N ATOM 271 CA GLY A 17 17.051 -23.797 16.502 1.00 0.00 C ATOM 272 C GLY A 17 15.825 -23.726 15.622 1.00 0.00 C ATOM 273 O GLY A 17 15.899 -23.939 14.403 1.00 0.00 O ATOM 0 H GLY A 17 16.798 -22.618 18.217 1.00 0.00 H new ATOM 0 HA2 GLY A 17 17.772 -23.047 16.178 1.00 0.00 H new ATOM 0 HA3 GLY A 17 17.527 -24.770 16.381 1.00 0.00 H new ATOM 277 N SER A 18 14.715 -23.426 16.227 1.00 0.00 N ATOM 278 CA SER A 18 13.473 -23.287 15.538 1.00 0.00 C ATOM 279 C SER A 18 13.389 -21.889 14.944 1.00 0.00 C ATOM 280 O SER A 18 13.949 -20.947 15.502 1.00 0.00 O ATOM 281 CB SER A 18 12.358 -23.547 16.535 1.00 0.00 C ATOM 282 OG SER A 18 12.588 -22.801 17.726 1.00 0.00 O ATOM 0 H SER A 18 14.649 -23.269 17.233 1.00 0.00 H new ATOM 0 HA SER A 18 13.385 -23.999 14.718 1.00 0.00 H new ATOM 0 HB2 SER A 18 11.398 -23.268 16.101 1.00 0.00 H new ATOM 0 HB3 SER A 18 12.306 -24.611 16.766 1.00 0.00 H new ATOM 0 HG SER A 18 11.959 -23.090 18.420 1.00 0.00 H new ATOM 288 N ASP A 19 12.748 -21.747 13.817 1.00 0.00 N ATOM 289 CA ASP A 19 12.655 -20.474 13.193 1.00 0.00 C ATOM 290 C ASP A 19 11.219 -20.021 13.060 1.00 0.00 C ATOM 291 O ASP A 19 10.280 -20.827 13.108 1.00 0.00 O ATOM 292 CB ASP A 19 13.390 -20.450 11.835 1.00 0.00 C ATOM 293 CG ASP A 19 12.830 -21.364 10.773 1.00 0.00 C ATOM 294 OD1 ASP A 19 12.717 -22.584 11.018 1.00 0.00 O ATOM 295 OD2 ASP A 19 12.568 -20.884 9.651 1.00 0.00 O ATOM 0 H ASP A 19 12.284 -22.505 13.317 1.00 0.00 H new ATOM 0 HA ASP A 19 13.158 -19.759 13.843 1.00 0.00 H new ATOM 0 HB2 ASP A 19 13.377 -19.429 11.454 1.00 0.00 H new ATOM 0 HB3 ASP A 19 14.434 -20.715 12.003 1.00 0.00 H new ATOM 300 N ILE A 20 11.057 -18.741 12.929 1.00 0.00 N ATOM 301 CA ILE A 20 9.766 -18.115 12.764 1.00 0.00 C ATOM 302 C ILE A 20 9.658 -17.697 11.314 1.00 0.00 C ATOM 303 O ILE A 20 10.660 -17.272 10.739 1.00 0.00 O ATOM 304 CB ILE A 20 9.636 -16.839 13.672 1.00 0.00 C ATOM 305 CG1 ILE A 20 9.847 -17.195 15.157 1.00 0.00 C ATOM 306 CG2 ILE A 20 8.277 -16.166 13.480 1.00 0.00 C ATOM 307 CD1 ILE A 20 9.763 -15.999 16.101 1.00 0.00 C ATOM 0 H ILE A 20 11.833 -18.079 12.933 1.00 0.00 H new ATOM 0 HA ILE A 20 8.978 -18.813 13.048 1.00 0.00 H new ATOM 0 HB ILE A 20 10.414 -16.138 13.370 1.00 0.00 H new ATOM 0 HG12 ILE A 20 9.100 -17.931 15.453 1.00 0.00 H new ATOM 0 HG13 ILE A 20 10.823 -17.667 15.272 1.00 0.00 H new ATOM 0 HG21 ILE A 20 8.213 -15.286 14.120 1.00 0.00 H new ATOM 0 HG22 ILE A 20 8.163 -15.866 12.438 1.00 0.00 H new ATOM 0 HG23 ILE A 20 7.484 -16.865 13.745 1.00 0.00 H new ATOM 0 HD11 ILE A 20 9.922 -16.333 17.126 1.00 0.00 H new ATOM 0 HD12 ILE A 20 10.528 -15.270 15.834 1.00 0.00 H new ATOM 0 HD13 ILE A 20 8.779 -15.538 16.018 1.00 0.00 H new ATOM 319 N GLY A 21 8.472 -17.857 10.723 1.00 0.00 N ATOM 320 CA GLY A 21 8.260 -17.493 9.327 1.00 0.00 C ATOM 321 C GLY A 21 8.700 -16.065 9.029 1.00 0.00 C ATOM 322 O GLY A 21 8.346 -15.142 9.776 1.00 0.00 O ATOM 0 H GLY A 21 7.648 -18.235 11.191 1.00 0.00 H new ATOM 0 HA2 GLY A 21 8.811 -18.182 8.686 1.00 0.00 H new ATOM 0 HA3 GLY A 21 7.204 -17.604 9.081 1.00 0.00 H new ATOM 326 N PRO A 22 9.484 -15.861 7.952 1.00 0.00 N ATOM 327 CA PRO A 22 10.028 -14.552 7.603 1.00 0.00 C ATOM 328 C PRO A 22 8.957 -13.513 7.276 1.00 0.00 C ATOM 329 O PRO A 22 7.897 -13.827 6.704 1.00 0.00 O ATOM 330 CB PRO A 22 10.924 -14.818 6.392 1.00 0.00 C ATOM 331 CG PRO A 22 10.426 -16.106 5.826 1.00 0.00 C ATOM 332 CD PRO A 22 9.898 -16.898 6.990 1.00 0.00 C ATOM 0 HA PRO A 22 10.566 -14.122 8.448 1.00 0.00 H new ATOM 0 HB2 PRO A 22 10.853 -14.011 5.662 1.00 0.00 H new ATOM 0 HB3 PRO A 22 11.972 -14.893 6.684 1.00 0.00 H new ATOM 0 HG2 PRO A 22 9.644 -15.930 5.088 1.00 0.00 H new ATOM 0 HG3 PRO A 22 11.227 -16.645 5.320 1.00 0.00 H new ATOM 0 HD2 PRO A 22 9.061 -17.532 6.698 1.00 0.00 H new ATOM 0 HD3 PRO A 22 10.662 -17.553 7.410 1.00 0.00 H new ATOM 340 N LYS A 23 9.244 -12.296 7.631 1.00 0.00 N ATOM 341 CA LYS A 23 8.334 -11.196 7.457 1.00 0.00 C ATOM 342 C LYS A 23 9.127 -10.078 6.791 1.00 0.00 C ATOM 343 O LYS A 23 10.349 -10.086 6.866 1.00 0.00 O ATOM 344 CB LYS A 23 7.846 -10.760 8.846 1.00 0.00 C ATOM 345 CG LYS A 23 6.673 -9.804 8.863 1.00 0.00 C ATOM 346 CD LYS A 23 6.364 -9.373 10.283 1.00 0.00 C ATOM 347 CE LYS A 23 5.075 -8.575 10.369 1.00 0.00 C ATOM 348 NZ LYS A 23 3.890 -9.411 10.078 1.00 0.00 N ATOM 0 H LYS A 23 10.132 -12.032 8.058 1.00 0.00 H new ATOM 0 HA LYS A 23 7.469 -11.458 6.848 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.572 -11.651 9.410 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.678 -10.293 9.373 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.899 -8.930 8.252 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.798 -10.283 8.423 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.288 -10.254 10.921 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.188 -8.772 10.667 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.980 -8.145 11.366 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.115 -7.744 9.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 3.029 -8.908 10.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.845 -9.606 9.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 3.962 -10.308 10.599 1.00 0.00 H new ATOM 362 N ALA A 24 8.468 -9.146 6.146 1.00 0.00 N ATOM 363 CA ALA A 24 9.169 -8.069 5.465 1.00 0.00 C ATOM 364 C ALA A 24 9.380 -6.879 6.393 1.00 0.00 C ATOM 365 O ALA A 24 8.430 -6.352 6.963 1.00 0.00 O ATOM 366 CB ALA A 24 8.414 -7.648 4.213 1.00 0.00 C ATOM 0 H ALA A 24 7.451 -9.106 6.075 1.00 0.00 H new ATOM 0 HA ALA A 24 10.150 -8.440 5.168 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.954 -6.841 3.717 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.329 -8.498 3.536 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.417 -7.303 4.488 1.00 0.00 H new ATOM 372 N PHE A 25 10.616 -6.479 6.550 1.00 0.00 N ATOM 373 CA PHE A 25 10.973 -5.357 7.391 1.00 0.00 C ATOM 374 C PHE A 25 11.810 -4.401 6.574 1.00 0.00 C ATOM 375 O PHE A 25 12.450 -4.809 5.609 1.00 0.00 O ATOM 376 CB PHE A 25 11.872 -5.808 8.557 1.00 0.00 C ATOM 377 CG PHE A 25 11.339 -6.873 9.460 1.00 0.00 C ATOM 378 CD1 PHE A 25 11.346 -8.183 9.060 1.00 0.00 C ATOM 379 CD2 PHE A 25 10.878 -6.568 10.726 1.00 0.00 C ATOM 380 CE1 PHE A 25 10.912 -9.180 9.884 1.00 0.00 C ATOM 381 CE2 PHE A 25 10.430 -7.572 11.559 1.00 0.00 C ATOM 382 CZ PHE A 25 10.454 -8.882 11.126 1.00 0.00 C ATOM 0 H PHE A 25 11.413 -6.925 6.095 1.00 0.00 H new ATOM 0 HA PHE A 25 10.054 -4.908 7.767 1.00 0.00 H new ATOM 0 HB2 PHE A 25 12.815 -6.161 8.139 1.00 0.00 H new ATOM 0 HB3 PHE A 25 12.100 -4.933 9.165 1.00 0.00 H new ATOM 0 HD1 PHE A 25 11.703 -8.432 8.071 1.00 0.00 H new ATOM 0 HD2 PHE A 25 10.868 -5.542 11.064 1.00 0.00 H new ATOM 0 HE1 PHE A 25 10.933 -10.206 9.548 1.00 0.00 H new ATOM 0 HE2 PHE A 25 10.062 -7.334 12.546 1.00 0.00 H new ATOM 0 HZ PHE A 25 10.108 -9.671 11.777 1.00 0.00 H new ATOM 392 N PRO A 26 11.808 -3.130 6.895 1.00 0.00 N ATOM 393 CA PRO A 26 12.765 -2.218 6.311 1.00 0.00 C ATOM 394 C PRO A 26 14.131 -2.518 6.918 1.00 0.00 C ATOM 395 O PRO A 26 14.217 -2.830 8.098 1.00 0.00 O ATOM 396 CB PRO A 26 12.300 -0.833 6.784 1.00 0.00 C ATOM 397 CG PRO A 26 10.923 -1.036 7.322 1.00 0.00 C ATOM 398 CD PRO A 26 10.867 -2.455 7.799 1.00 0.00 C ATOM 0 HA PRO A 26 12.832 -2.290 5.226 1.00 0.00 H new ATOM 0 HB2 PRO A 26 12.966 -0.436 7.550 1.00 0.00 H new ATOM 0 HB3 PRO A 26 12.298 -0.118 5.962 1.00 0.00 H new ATOM 0 HG2 PRO A 26 10.717 -0.343 8.137 1.00 0.00 H new ATOM 0 HG3 PRO A 26 10.173 -0.854 6.552 1.00 0.00 H new ATOM 0 HD2 PRO A 26 11.170 -2.545 8.842 1.00 0.00 H new ATOM 0 HD3 PRO A 26 9.862 -2.870 7.722 1.00 0.00 H new ATOM 406 N ASP A 27 15.183 -2.425 6.145 1.00 0.00 N ATOM 407 CA ASP A 27 16.513 -2.699 6.688 1.00 0.00 C ATOM 408 C ASP A 27 16.882 -1.574 7.637 1.00 0.00 C ATOM 409 O ASP A 27 17.523 -1.769 8.648 1.00 0.00 O ATOM 410 CB ASP A 27 17.553 -2.837 5.565 1.00 0.00 C ATOM 411 CG ASP A 27 18.916 -3.337 6.050 1.00 0.00 C ATOM 412 OD1 ASP A 27 18.993 -4.484 6.539 1.00 0.00 O ATOM 413 OD2 ASP A 27 19.931 -2.618 5.874 1.00 0.00 O ATOM 0 H ASP A 27 15.160 -2.169 5.158 1.00 0.00 H new ATOM 0 HA ASP A 27 16.501 -3.647 7.226 1.00 0.00 H new ATOM 0 HB2 ASP A 27 17.171 -3.524 4.810 1.00 0.00 H new ATOM 0 HB3 ASP A 27 17.682 -1.870 5.080 1.00 0.00 H new ATOM 418 N ALA A 28 16.374 -0.395 7.332 1.00 0.00 N ATOM 419 CA ALA A 28 16.626 0.797 8.124 1.00 0.00 C ATOM 420 C ALA A 28 15.691 0.893 9.346 1.00 0.00 C ATOM 421 O ALA A 28 15.619 1.948 10.004 1.00 0.00 O ATOM 422 CB ALA A 28 16.481 2.027 7.250 1.00 0.00 C ATOM 0 H ALA A 28 15.772 -0.235 6.524 1.00 0.00 H new ATOM 0 HA ALA A 28 17.645 0.735 8.507 1.00 0.00 H new ATOM 0 HB1 ALA A 28 16.670 2.920 7.845 1.00 0.00 H new ATOM 0 HB2 ALA A 28 17.198 1.978 6.431 1.00 0.00 H new ATOM 0 HB3 ALA A 28 15.470 2.068 6.845 1.00 0.00 H new ATOM 428 N THR A 29 14.997 -0.189 9.665 1.00 0.00 N ATOM 429 CA THR A 29 14.106 -0.204 10.806 1.00 0.00 C ATOM 430 C THR A 29 14.931 -0.266 12.097 1.00 0.00 C ATOM 431 O THR A 29 16.034 -0.845 12.115 1.00 0.00 O ATOM 432 CB THR A 29 13.074 -1.391 10.765 1.00 0.00 C ATOM 433 OG1 THR A 29 12.058 -1.183 11.753 1.00 0.00 O ATOM 434 CG2 THR A 29 13.743 -2.736 11.057 1.00 0.00 C ATOM 0 H THR A 29 15.036 -1.067 9.147 1.00 0.00 H new ATOM 0 HA THR A 29 13.522 0.716 10.773 1.00 0.00 H new ATOM 0 HB THR A 29 12.649 -1.414 9.761 1.00 0.00 H new ATOM 0 HG1 THR A 29 11.416 -1.923 11.723 1.00 0.00 H new ATOM 0 HG21 THR A 29 12.997 -3.529 11.019 1.00 0.00 H new ATOM 0 HG22 THR A 29 14.515 -2.928 10.312 1.00 0.00 H new ATOM 0 HG23 THR A 29 14.195 -2.710 12.049 1.00 0.00 H new ATOM 442 N THR A 30 14.448 0.370 13.132 1.00 0.00 N ATOM 443 CA THR A 30 15.112 0.334 14.404 1.00 0.00 C ATOM 444 C THR A 30 15.016 -1.061 15.011 1.00 0.00 C ATOM 445 O THR A 30 14.077 -1.821 14.708 1.00 0.00 O ATOM 446 CB THR A 30 14.496 1.351 15.393 1.00 0.00 C ATOM 447 OG1 THR A 30 13.101 1.083 15.569 1.00 0.00 O ATOM 448 CG2 THR A 30 14.679 2.764 14.892 1.00 0.00 C ATOM 0 H THR A 30 13.591 0.922 13.116 1.00 0.00 H new ATOM 0 HA THR A 30 16.156 0.597 14.233 1.00 0.00 H new ATOM 0 HB THR A 30 15.009 1.249 16.349 1.00 0.00 H new ATOM 0 HG1 THR A 30 12.720 1.731 16.198 1.00 0.00 H new ATOM 0 HG21 THR A 30 14.238 3.462 15.603 1.00 0.00 H new ATOM 0 HG22 THR A 30 15.743 2.977 14.786 1.00 0.00 H new ATOM 0 HG23 THR A 30 14.189 2.873 13.925 1.00 0.00 H new ATOM 456 N VAL A 31 15.977 -1.404 15.847 1.00 0.00 N ATOM 457 CA VAL A 31 15.948 -2.655 16.577 1.00 0.00 C ATOM 458 C VAL A 31 14.735 -2.648 17.512 1.00 0.00 C ATOM 459 O VAL A 31 14.140 -3.678 17.787 1.00 0.00 O ATOM 460 CB VAL A 31 17.260 -2.872 17.381 1.00 0.00 C ATOM 461 CG1 VAL A 31 17.197 -4.146 18.212 1.00 0.00 C ATOM 462 CG2 VAL A 31 18.454 -2.927 16.436 1.00 0.00 C ATOM 0 H VAL A 31 16.796 -0.826 16.038 1.00 0.00 H new ATOM 0 HA VAL A 31 15.866 -3.480 15.870 1.00 0.00 H new ATOM 0 HB VAL A 31 17.377 -2.029 18.062 1.00 0.00 H new ATOM 0 HG11 VAL A 31 18.130 -4.268 18.762 1.00 0.00 H new ATOM 0 HG12 VAL A 31 16.367 -4.081 18.915 1.00 0.00 H new ATOM 0 HG13 VAL A 31 17.049 -5.002 17.554 1.00 0.00 H new ATOM 0 HG21 VAL A 31 19.367 -3.079 17.012 1.00 0.00 H new ATOM 0 HG22 VAL A 31 18.325 -3.752 15.735 1.00 0.00 H new ATOM 0 HG23 VAL A 31 18.525 -1.989 15.885 1.00 0.00 H new ATOM 472 N SER A 32 14.365 -1.464 17.956 1.00 0.00 N ATOM 473 CA SER A 32 13.206 -1.291 18.783 1.00 0.00 C ATOM 474 C SER A 32 11.943 -1.723 18.011 1.00 0.00 C ATOM 475 O SER A 32 11.161 -2.530 18.507 1.00 0.00 O ATOM 476 CB SER A 32 13.106 0.172 19.225 1.00 0.00 C ATOM 477 OG SER A 32 12.020 0.386 20.109 1.00 0.00 O ATOM 0 H SER A 32 14.865 -0.599 17.749 1.00 0.00 H new ATOM 0 HA SER A 32 13.292 -1.916 19.672 1.00 0.00 H new ATOM 0 HB2 SER A 32 14.035 0.468 19.713 1.00 0.00 H new ATOM 0 HB3 SER A 32 12.990 0.809 18.348 1.00 0.00 H new ATOM 0 HG SER A 32 11.991 1.330 20.369 1.00 0.00 H new ATOM 483 N ALA A 33 11.784 -1.220 16.777 1.00 0.00 N ATOM 484 CA ALA A 33 10.631 -1.572 15.934 1.00 0.00 C ATOM 485 C ALA A 33 10.694 -3.039 15.514 1.00 0.00 C ATOM 486 O ALA A 33 9.663 -3.692 15.326 1.00 0.00 O ATOM 487 CB ALA A 33 10.567 -0.672 14.715 1.00 0.00 C ATOM 0 H ALA A 33 12.438 -0.570 16.342 1.00 0.00 H new ATOM 0 HA ALA A 33 9.724 -1.424 16.520 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.708 -0.948 14.104 1.00 0.00 H new ATOM 0 HB2 ALA A 33 10.468 0.366 15.034 1.00 0.00 H new ATOM 0 HB3 ALA A 33 11.480 -0.786 14.130 1.00 0.00 H new ATOM 493 N LEU A 34 11.907 -3.547 15.384 1.00 0.00 N ATOM 494 CA LEU A 34 12.166 -4.912 15.074 1.00 0.00 C ATOM 495 C LEU A 34 11.598 -5.787 16.183 1.00 0.00 C ATOM 496 O LEU A 34 10.883 -6.766 15.934 1.00 0.00 O ATOM 497 CB LEU A 34 13.680 -5.067 14.993 1.00 0.00 C ATOM 498 CG LEU A 34 14.230 -6.452 14.890 1.00 0.00 C ATOM 499 CD1 LEU A 34 13.764 -7.134 13.613 1.00 0.00 C ATOM 500 CD2 LEU A 34 15.742 -6.423 14.988 1.00 0.00 C ATOM 0 H LEU A 34 12.754 -2.991 15.498 1.00 0.00 H new ATOM 0 HA LEU A 34 11.704 -5.210 14.133 1.00 0.00 H new ATOM 0 HB2 LEU A 34 14.030 -4.502 14.129 1.00 0.00 H new ATOM 0 HB3 LEU A 34 14.113 -4.599 15.877 1.00 0.00 H new ATOM 0 HG LEU A 34 13.848 -7.040 15.724 1.00 0.00 H new ATOM 0 HD11 LEU A 34 14.180 -8.140 13.565 1.00 0.00 H new ATOM 0 HD12 LEU A 34 12.675 -7.191 13.607 1.00 0.00 H new ATOM 0 HD13 LEU A 34 14.102 -6.560 12.750 1.00 0.00 H new ATOM 0 HD21 LEU A 34 16.131 -7.438 14.912 1.00 0.00 H new ATOM 0 HD22 LEU A 34 16.148 -5.817 14.178 1.00 0.00 H new ATOM 0 HD23 LEU A 34 16.036 -5.993 15.945 1.00 0.00 H new ATOM 512 N LYS A 35 11.888 -5.398 17.398 1.00 0.00 N ATOM 513 CA LYS A 35 11.434 -6.108 18.547 1.00 0.00 C ATOM 514 C LYS A 35 9.948 -5.926 18.769 1.00 0.00 C ATOM 515 O LYS A 35 9.266 -6.865 19.109 1.00 0.00 O ATOM 516 CB LYS A 35 12.285 -5.768 19.749 1.00 0.00 C ATOM 517 CG LYS A 35 13.714 -6.216 19.505 1.00 0.00 C ATOM 518 CD LYS A 35 14.695 -5.857 20.596 1.00 0.00 C ATOM 519 CE LYS A 35 14.449 -6.630 21.862 1.00 0.00 C ATOM 520 NZ LYS A 35 15.438 -6.289 22.897 1.00 0.00 N ATOM 0 H LYS A 35 12.450 -4.574 17.610 1.00 0.00 H new ATOM 0 HA LYS A 35 11.561 -7.177 18.375 1.00 0.00 H new ATOM 0 HB2 LYS A 35 12.257 -4.694 19.935 1.00 0.00 H new ATOM 0 HB3 LYS A 35 11.887 -6.256 20.639 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.721 -7.298 19.373 1.00 0.00 H new ATOM 0 HG3 LYS A 35 14.060 -5.779 18.569 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.710 -6.049 20.247 1.00 0.00 H new ATOM 0 HD3 LYS A 35 14.627 -4.790 20.806 1.00 0.00 H new ATOM 0 HE2 LYS A 35 13.445 -6.418 22.231 1.00 0.00 H new ATOM 0 HE3 LYS A 35 14.492 -7.699 21.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 15.018 -6.428 23.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 16.272 -6.903 22.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 15.725 -5.295 22.789 1.00 0.00 H new ATOM 534 N GLU A 36 9.446 -4.733 18.521 1.00 0.00 N ATOM 535 CA GLU A 36 8.010 -4.473 18.582 1.00 0.00 C ATOM 536 C GLU A 36 7.266 -5.425 17.654 1.00 0.00 C ATOM 537 O GLU A 36 6.213 -5.970 18.004 1.00 0.00 O ATOM 538 CB GLU A 36 7.710 -3.031 18.171 1.00 0.00 C ATOM 539 CG GLU A 36 8.170 -1.988 19.160 1.00 0.00 C ATOM 540 CD GLU A 36 7.466 -2.133 20.478 1.00 0.00 C ATOM 541 OE1 GLU A 36 6.334 -1.630 20.607 1.00 0.00 O ATOM 542 OE2 GLU A 36 8.021 -2.762 21.402 1.00 0.00 O ATOM 0 H GLU A 36 10.010 -3.920 18.273 1.00 0.00 H new ATOM 0 HA GLU A 36 7.677 -4.629 19.608 1.00 0.00 H new ATOM 0 HB2 GLU A 36 8.184 -2.835 17.209 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.635 -2.925 18.024 1.00 0.00 H new ATOM 0 HG2 GLU A 36 9.246 -2.076 19.309 1.00 0.00 H new ATOM 0 HG3 GLU A 36 7.985 -0.993 18.754 1.00 0.00 H new ATOM 549 N THR A 37 7.837 -5.643 16.495 1.00 0.00 N ATOM 550 CA THR A 37 7.265 -6.525 15.530 1.00 0.00 C ATOM 551 C THR A 37 7.338 -7.993 16.000 1.00 0.00 C ATOM 552 O THR A 37 6.333 -8.704 15.949 1.00 0.00 O ATOM 553 CB THR A 37 7.949 -6.357 14.162 1.00 0.00 C ATOM 554 OG1 THR A 37 7.850 -4.981 13.755 1.00 0.00 O ATOM 555 CG2 THR A 37 7.275 -7.227 13.115 1.00 0.00 C ATOM 0 H THR A 37 8.712 -5.209 16.202 1.00 0.00 H new ATOM 0 HA THR A 37 6.213 -6.261 15.422 1.00 0.00 H new ATOM 0 HB THR A 37 8.993 -6.657 14.253 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.465 -4.437 14.290 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.774 -7.093 12.155 1.00 0.00 H new ATOM 0 HG22 THR A 37 7.339 -8.273 13.415 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.228 -6.940 13.023 1.00 0.00 H new ATOM 563 N VAL A 38 8.513 -8.433 16.499 1.00 0.00 N ATOM 564 CA VAL A 38 8.673 -9.828 16.936 1.00 0.00 C ATOM 565 C VAL A 38 7.706 -10.133 18.074 1.00 0.00 C ATOM 566 O VAL A 38 7.079 -11.157 18.083 1.00 0.00 O ATOM 567 CB VAL A 38 10.154 -10.180 17.354 1.00 0.00 C ATOM 568 CG1 VAL A 38 10.585 -9.569 18.675 1.00 0.00 C ATOM 569 CG2 VAL A 38 10.410 -11.673 17.330 1.00 0.00 C ATOM 0 H VAL A 38 9.346 -7.854 16.606 1.00 0.00 H new ATOM 0 HA VAL A 38 8.439 -10.459 16.079 1.00 0.00 H new ATOM 0 HB VAL A 38 10.781 -9.715 16.593 1.00 0.00 H new ATOM 0 HG11 VAL A 38 11.614 -9.858 18.891 1.00 0.00 H new ATOM 0 HG12 VAL A 38 10.518 -8.483 18.612 1.00 0.00 H new ATOM 0 HG13 VAL A 38 9.933 -9.927 19.472 1.00 0.00 H new ATOM 0 HG21 VAL A 38 11.441 -11.870 17.624 1.00 0.00 H new ATOM 0 HG22 VAL A 38 9.733 -12.169 18.025 1.00 0.00 H new ATOM 0 HG23 VAL A 38 10.241 -12.055 16.323 1.00 0.00 H new ATOM 579 N ILE A 39 7.566 -9.182 18.984 1.00 0.00 N ATOM 580 CA ILE A 39 6.663 -9.291 20.146 1.00 0.00 C ATOM 581 C ILE A 39 5.193 -9.431 19.706 1.00 0.00 C ATOM 582 O ILE A 39 4.400 -10.094 20.361 1.00 0.00 O ATOM 583 CB ILE A 39 6.827 -8.065 21.093 1.00 0.00 C ATOM 584 CG1 ILE A 39 8.254 -8.007 21.624 1.00 0.00 C ATOM 585 CG2 ILE A 39 5.840 -8.121 22.261 1.00 0.00 C ATOM 586 CD1 ILE A 39 8.552 -6.761 22.408 1.00 0.00 C ATOM 0 H ILE A 39 8.076 -8.299 18.947 1.00 0.00 H new ATOM 0 HA ILE A 39 6.941 -10.193 20.691 1.00 0.00 H new ATOM 0 HB ILE A 39 6.614 -7.165 20.516 1.00 0.00 H new ATOM 0 HG12 ILE A 39 8.433 -8.876 22.257 1.00 0.00 H new ATOM 0 HG13 ILE A 39 8.948 -8.074 20.786 1.00 0.00 H new ATOM 0 HG21 ILE A 39 5.983 -7.250 22.901 1.00 0.00 H new ATOM 0 HG22 ILE A 39 4.820 -8.124 21.876 1.00 0.00 H new ATOM 0 HG23 ILE A 39 6.012 -9.028 22.840 1.00 0.00 H new ATOM 0 HD11 ILE A 39 9.585 -6.788 22.755 1.00 0.00 H new ATOM 0 HD12 ILE A 39 8.405 -5.888 21.773 1.00 0.00 H new ATOM 0 HD13 ILE A 39 7.882 -6.702 23.266 1.00 0.00 H new ATOM 598 N SER A 40 4.842 -8.798 18.607 1.00 0.00 N ATOM 599 CA SER A 40 3.493 -8.892 18.091 1.00 0.00 C ATOM 600 C SER A 40 3.253 -10.256 17.409 1.00 0.00 C ATOM 601 O SER A 40 2.162 -10.833 17.503 1.00 0.00 O ATOM 602 CB SER A 40 3.215 -7.734 17.138 1.00 0.00 C ATOM 603 OG SER A 40 3.400 -6.484 17.806 1.00 0.00 O ATOM 0 H SER A 40 5.470 -8.214 18.055 1.00 0.00 H new ATOM 0 HA SER A 40 2.795 -8.822 18.925 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.880 -7.795 16.277 1.00 0.00 H new ATOM 0 HB3 SER A 40 2.196 -7.804 16.759 1.00 0.00 H new ATOM 0 HG SER A 40 4.358 -6.293 17.884 1.00 0.00 H new ATOM 609 N GLU A 41 4.278 -10.771 16.744 1.00 0.00 N ATOM 610 CA GLU A 41 4.191 -12.033 16.067 1.00 0.00 C ATOM 611 C GLU A 41 4.315 -13.189 17.077 1.00 0.00 C ATOM 612 O GLU A 41 3.822 -14.290 16.847 1.00 0.00 O ATOM 613 CB GLU A 41 5.308 -12.117 15.030 1.00 0.00 C ATOM 614 CG GLU A 41 5.324 -10.973 14.007 1.00 0.00 C ATOM 615 CD GLU A 41 4.057 -10.862 13.181 1.00 0.00 C ATOM 616 OE1 GLU A 41 3.074 -10.290 13.658 1.00 0.00 O ATOM 617 OE2 GLU A 41 4.038 -11.336 12.021 1.00 0.00 O ATOM 0 H GLU A 41 5.188 -10.317 16.666 1.00 0.00 H new ATOM 0 HA GLU A 41 3.224 -12.115 15.570 1.00 0.00 H new ATOM 0 HB2 GLU A 41 6.266 -12.135 15.549 1.00 0.00 H new ATOM 0 HB3 GLU A 41 5.218 -13.063 14.495 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.485 -10.032 14.533 1.00 0.00 H new ATOM 0 HG3 GLU A 41 6.171 -11.112 13.336 1.00 0.00 H new ATOM 624 N TRP A 42 4.970 -12.904 18.182 1.00 0.00 N ATOM 625 CA TRP A 42 5.216 -13.853 19.255 1.00 0.00 C ATOM 626 C TRP A 42 3.989 -13.910 20.175 1.00 0.00 C ATOM 627 O TRP A 42 3.422 -12.868 20.524 1.00 0.00 O ATOM 628 CB TRP A 42 6.462 -13.379 20.031 1.00 0.00 C ATOM 629 CG TRP A 42 6.983 -14.286 21.108 1.00 0.00 C ATOM 630 CD1 TRP A 42 6.789 -14.166 22.452 1.00 0.00 C ATOM 631 CD2 TRP A 42 7.809 -15.437 20.922 1.00 0.00 C ATOM 632 NE1 TRP A 42 7.462 -15.161 23.116 1.00 0.00 N ATOM 633 CE2 TRP A 42 8.086 -15.964 22.193 1.00 0.00 C ATOM 634 CE3 TRP A 42 8.338 -16.074 19.797 1.00 0.00 C ATOM 635 CZ2 TRP A 42 8.873 -17.098 22.371 1.00 0.00 C ATOM 636 CZ3 TRP A 42 9.116 -17.196 19.976 1.00 0.00 C ATOM 637 CH2 TRP A 42 9.375 -17.698 21.256 1.00 0.00 C ATOM 0 H TRP A 42 5.359 -11.979 18.367 1.00 0.00 H new ATOM 0 HA TRP A 42 5.391 -14.854 18.860 1.00 0.00 H new ATOM 0 HB2 TRP A 42 7.264 -13.211 19.313 1.00 0.00 H new ATOM 0 HB3 TRP A 42 6.232 -12.414 20.483 1.00 0.00 H new ATOM 0 HD1 TRP A 42 6.193 -13.400 22.925 1.00 0.00 H new ATOM 0 HE1 TRP A 42 7.493 -15.284 24.128 1.00 0.00 H new ATOM 0 HE3 TRP A 42 8.141 -15.694 18.806 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 9.078 -17.488 23.357 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 9.533 -17.696 19.115 1.00 0.00 H new ATOM 0 HH2 TRP A 42 9.987 -18.581 21.362 1.00 0.00 H new ATOM 648 N PRO A 43 3.530 -15.113 20.539 1.00 0.00 N ATOM 649 CA PRO A 43 2.381 -15.277 21.428 1.00 0.00 C ATOM 650 C PRO A 43 2.626 -14.683 22.814 1.00 0.00 C ATOM 651 O PRO A 43 3.627 -14.969 23.456 1.00 0.00 O ATOM 652 CB PRO A 43 2.230 -16.800 21.551 1.00 0.00 C ATOM 653 CG PRO A 43 2.938 -17.351 20.369 1.00 0.00 C ATOM 654 CD PRO A 43 4.072 -16.411 20.102 1.00 0.00 C ATOM 0 HA PRO A 43 1.501 -14.768 21.035 1.00 0.00 H new ATOM 0 HB2 PRO A 43 2.667 -17.167 22.480 1.00 0.00 H new ATOM 0 HB3 PRO A 43 1.180 -17.094 21.555 1.00 0.00 H new ATOM 0 HG2 PRO A 43 3.303 -18.359 20.566 1.00 0.00 H new ATOM 0 HG3 PRO A 43 2.272 -17.416 19.509 1.00 0.00 H new ATOM 0 HD2 PRO A 43 4.965 -16.686 20.663 1.00 0.00 H new ATOM 0 HD3 PRO A 43 4.348 -16.400 19.048 1.00 0.00 H new ATOM 662 N ARG A 44 1.698 -13.875 23.276 1.00 0.00 N ATOM 663 CA ARG A 44 1.785 -13.294 24.612 1.00 0.00 C ATOM 664 C ARG A 44 1.514 -14.347 25.681 1.00 0.00 C ATOM 665 O ARG A 44 1.883 -14.201 26.840 1.00 0.00 O ATOM 666 CB ARG A 44 0.885 -12.054 24.798 1.00 0.00 C ATOM 667 CG ARG A 44 1.353 -10.791 24.059 1.00 0.00 C ATOM 668 CD ARG A 44 1.234 -10.876 22.543 1.00 0.00 C ATOM 669 NE ARG A 44 1.786 -9.672 21.905 1.00 0.00 N ATOM 670 CZ ARG A 44 1.087 -8.762 21.208 1.00 0.00 C ATOM 671 NH1 ARG A 44 -0.221 -8.929 20.994 1.00 0.00 N ATOM 672 NH2 ARG A 44 1.702 -7.681 20.722 1.00 0.00 N ATOM 0 H ARG A 44 0.869 -13.600 22.750 1.00 0.00 H new ATOM 0 HA ARG A 44 2.809 -12.938 24.729 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.122 -12.301 24.461 1.00 0.00 H new ATOM 0 HB3 ARG A 44 0.818 -11.829 25.863 1.00 0.00 H new ATOM 0 HG2 ARG A 44 0.770 -9.940 24.411 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.393 -10.595 24.320 1.00 0.00 H new ATOM 0 HD2 ARG A 44 1.762 -11.758 22.182 1.00 0.00 H new ATOM 0 HD3 ARG A 44 0.187 -10.994 22.262 1.00 0.00 H new ATOM 0 HE ARG A 44 2.789 -9.514 22.000 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -0.697 -9.753 21.361 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -0.744 -8.232 20.463 1.00 0.00 H new ATOM 0 HH21 ARG A 44 2.701 -7.548 20.881 1.00 0.00 H new ATOM 0 HH22 ARG A 44 1.173 -6.988 20.192 1.00 0.00 H new ATOM 686 N GLU A 45 0.834 -15.389 25.276 1.00 0.00 N ATOM 687 CA GLU A 45 0.508 -16.506 26.138 1.00 0.00 C ATOM 688 C GLU A 45 1.688 -17.515 26.170 1.00 0.00 C ATOM 689 O GLU A 45 1.623 -18.546 26.851 1.00 0.00 O ATOM 690 CB GLU A 45 -0.770 -17.181 25.598 1.00 0.00 C ATOM 691 CG GLU A 45 -1.291 -18.349 26.414 1.00 0.00 C ATOM 692 CD GLU A 45 -2.484 -18.996 25.778 1.00 0.00 C ATOM 693 OE1 GLU A 45 -2.298 -19.819 24.853 1.00 0.00 O ATOM 694 OE2 GLU A 45 -3.628 -18.692 26.182 1.00 0.00 O ATOM 0 H GLU A 45 0.484 -15.491 24.323 1.00 0.00 H new ATOM 0 HA GLU A 45 0.335 -16.158 27.156 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -1.556 -16.429 25.531 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.575 -17.529 24.584 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.499 -19.089 26.533 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.557 -18.003 27.413 1.00 0.00 H new ATOM 701 N LYS A 46 2.765 -17.200 25.436 1.00 0.00 N ATOM 702 CA LYS A 46 3.920 -18.086 25.332 1.00 0.00 C ATOM 703 C LYS A 46 4.575 -18.330 26.692 1.00 0.00 C ATOM 704 O LYS A 46 5.280 -17.456 27.245 1.00 0.00 O ATOM 705 CB LYS A 46 4.968 -17.540 24.348 1.00 0.00 C ATOM 706 CG LYS A 46 6.136 -18.488 24.069 1.00 0.00 C ATOM 707 CD LYS A 46 5.666 -19.797 23.444 1.00 0.00 C ATOM 708 CE LYS A 46 6.834 -20.715 23.125 1.00 0.00 C ATOM 709 NZ LYS A 46 6.392 -21.997 22.520 1.00 0.00 N ATOM 0 H LYS A 46 2.854 -16.333 24.906 1.00 0.00 H new ATOM 0 HA LYS A 46 3.543 -19.036 24.952 1.00 0.00 H new ATOM 0 HB2 LYS A 46 4.474 -17.306 23.405 1.00 0.00 H new ATOM 0 HB3 LYS A 46 5.363 -16.604 24.742 1.00 0.00 H new ATOM 0 HG2 LYS A 46 6.848 -18.002 23.402 1.00 0.00 H new ATOM 0 HG3 LYS A 46 6.664 -18.698 24.999 1.00 0.00 H new ATOM 0 HD2 LYS A 46 4.982 -20.301 24.126 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.109 -19.586 22.531 1.00 0.00 H new ATOM 0 HE2 LYS A 46 7.515 -20.209 22.441 1.00 0.00 H new ATOM 0 HE3 LYS A 46 7.393 -20.920 24.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 7.222 -22.591 22.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.762 -22.494 23.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.882 -21.805 21.634 1.00 0.00 H new ATOM 723 N GLU A 47 4.327 -19.495 27.228 1.00 0.00 N ATOM 724 CA GLU A 47 4.927 -19.916 28.440 1.00 0.00 C ATOM 725 C GLU A 47 6.328 -20.385 28.162 1.00 0.00 C ATOM 726 O GLU A 47 6.623 -20.869 27.064 1.00 0.00 O ATOM 727 CB GLU A 47 4.103 -20.996 29.114 1.00 0.00 C ATOM 728 CG GLU A 47 3.764 -22.147 28.195 1.00 0.00 C ATOM 729 CD GLU A 47 2.996 -23.227 28.867 1.00 0.00 C ATOM 730 OE1 GLU A 47 1.767 -23.146 28.926 1.00 0.00 O ATOM 731 OE2 GLU A 47 3.614 -24.197 29.331 1.00 0.00 O ATOM 0 H GLU A 47 3.691 -20.180 26.819 1.00 0.00 H new ATOM 0 HA GLU A 47 4.968 -19.074 29.131 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.651 -21.377 29.976 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.180 -20.557 29.492 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.186 -21.771 27.350 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.686 -22.564 27.790 1.00 0.00 H new ATOM 738 N ASN A 48 7.185 -20.226 29.146 1.00 0.00 N ATOM 739 CA ASN A 48 8.628 -20.547 29.034 1.00 0.00 C ATOM 740 C ASN A 48 9.301 -19.677 27.981 1.00 0.00 C ATOM 741 O ASN A 48 10.417 -19.960 27.539 1.00 0.00 O ATOM 742 CB ASN A 48 8.884 -22.046 28.735 1.00 0.00 C ATOM 743 CG ASN A 48 8.384 -22.977 29.822 1.00 0.00 C ATOM 744 OD1 ASN A 48 9.100 -23.272 30.777 1.00 0.00 O ATOM 745 ND2 ASN A 48 7.170 -23.471 29.672 1.00 0.00 N ATOM 0 H ASN A 48 6.918 -19.868 30.063 1.00 0.00 H new ATOM 0 HA ASN A 48 9.069 -20.331 30.007 1.00 0.00 H new ATOM 0 HB2 ASN A 48 8.401 -22.308 27.794 1.00 0.00 H new ATOM 0 HB3 ASN A 48 9.954 -22.203 28.598 1.00 0.00 H new ATOM 0 HD21 ASN A 48 6.795 -24.122 30.362 1.00 0.00 H new ATOM 0 HD22 ASN A 48 6.606 -23.202 28.866 1.00 0.00 H new ATOM 752 N GLY A 49 8.636 -18.613 27.607 1.00 0.00 N ATOM 753 CA GLY A 49 9.153 -17.733 26.621 1.00 0.00 C ATOM 754 C GLY A 49 8.951 -16.290 27.008 1.00 0.00 C ATOM 755 O GLY A 49 8.282 -16.003 28.023 1.00 0.00 O ATOM 0 H GLY A 49 7.727 -18.344 27.982 1.00 0.00 H new ATOM 0 HA2 GLY A 49 10.216 -17.928 26.480 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.664 -17.927 25.666 1.00 0.00 H new ATOM 759 N PRO A 50 9.519 -15.360 26.237 1.00 0.00 N ATOM 760 CA PRO A 50 9.417 -13.920 26.489 1.00 0.00 C ATOM 761 C PRO A 50 8.027 -13.373 26.234 1.00 0.00 C ATOM 762 O PRO A 50 7.184 -14.045 25.650 1.00 0.00 O ATOM 763 CB PRO A 50 10.364 -13.318 25.444 1.00 0.00 C ATOM 764 CG PRO A 50 11.219 -14.440 25.007 1.00 0.00 C ATOM 765 CD PRO A 50 10.330 -15.626 25.050 1.00 0.00 C ATOM 0 HA PRO A 50 9.651 -13.687 27.528 1.00 0.00 H new ATOM 0 HB2 PRO A 50 9.809 -12.896 24.606 1.00 0.00 H new ATOM 0 HB3 PRO A 50 10.960 -12.511 25.871 1.00 0.00 H new ATOM 0 HG2 PRO A 50 11.609 -14.273 24.003 1.00 0.00 H new ATOM 0 HG3 PRO A 50 12.078 -14.564 25.666 1.00 0.00 H new ATOM 0 HD2 PRO A 50 9.720 -15.711 24.151 1.00 0.00 H new ATOM 0 HD3 PRO A 50 10.894 -16.554 25.141 1.00 0.00 H new ATOM 773 N LYS A 51 7.808 -12.160 26.696 1.00 0.00 N ATOM 774 CA LYS A 51 6.585 -11.417 26.434 1.00 0.00 C ATOM 775 C LYS A 51 6.884 -10.006 25.931 1.00 0.00 C ATOM 776 O LYS A 51 6.164 -9.486 25.096 1.00 0.00 O ATOM 777 CB LYS A 51 5.616 -11.360 27.645 1.00 0.00 C ATOM 778 CG LYS A 51 4.514 -12.438 27.671 1.00 0.00 C ATOM 779 CD LYS A 51 5.011 -13.865 27.870 1.00 0.00 C ATOM 780 CE LYS A 51 5.565 -14.087 29.260 1.00 0.00 C ATOM 781 NZ LYS A 51 5.971 -15.493 29.458 1.00 0.00 N ATOM 0 H LYS A 51 8.480 -11.653 27.272 1.00 0.00 H new ATOM 0 HA LYS A 51 6.073 -11.976 25.650 1.00 0.00 H new ATOM 0 HB2 LYS A 51 6.202 -11.444 28.560 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.140 -10.380 27.660 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.812 -12.199 28.470 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.958 -12.390 26.734 1.00 0.00 H new ATOM 0 HD2 LYS A 51 4.192 -14.562 27.691 1.00 0.00 H new ATOM 0 HD3 LYS A 51 5.783 -14.085 27.133 1.00 0.00 H new ATOM 0 HE2 LYS A 51 6.422 -13.433 29.421 1.00 0.00 H new ATOM 0 HE3 LYS A 51 4.813 -13.816 30.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.875 -15.744 30.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 5.363 -16.114 28.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 6.961 -15.613 29.164 1.00 0.00 H new ATOM 795 N THR A 52 7.945 -9.396 26.438 1.00 0.00 N ATOM 796 CA THR A 52 8.308 -8.046 26.057 1.00 0.00 C ATOM 797 C THR A 52 9.796 -7.868 25.669 1.00 0.00 C ATOM 798 O THR A 52 10.597 -8.808 25.741 1.00 0.00 O ATOM 799 CB THR A 52 7.799 -6.955 27.039 1.00 0.00 C ATOM 800 OG1 THR A 52 8.089 -7.304 28.402 1.00 0.00 O ATOM 801 CG2 THR A 52 6.306 -6.721 26.875 1.00 0.00 C ATOM 0 H THR A 52 8.572 -9.822 27.120 1.00 0.00 H new ATOM 0 HA THR A 52 7.757 -7.881 25.131 1.00 0.00 H new ATOM 0 HB THR A 52 8.327 -6.033 26.796 1.00 0.00 H new ATOM 0 HG1 THR A 52 9.051 -7.465 28.501 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.979 -5.952 27.575 1.00 0.00 H new ATOM 0 HG22 THR A 52 6.099 -6.395 25.856 1.00 0.00 H new ATOM 0 HG23 THR A 52 5.768 -7.648 27.076 1.00 0.00 H new ATOM 809 N VAL A 53 10.107 -6.665 25.218 1.00 0.00 N ATOM 810 CA VAL A 53 11.394 -6.246 24.644 1.00 0.00 C ATOM 811 C VAL A 53 12.626 -6.565 25.516 1.00 0.00 C ATOM 812 O VAL A 53 13.696 -6.878 24.979 1.00 0.00 O ATOM 813 CB VAL A 53 11.349 -4.718 24.282 1.00 0.00 C ATOM 814 CG1 VAL A 53 11.007 -3.868 25.494 1.00 0.00 C ATOM 815 CG2 VAL A 53 12.648 -4.236 23.662 1.00 0.00 C ATOM 0 H VAL A 53 9.432 -5.900 25.240 1.00 0.00 H new ATOM 0 HA VAL A 53 11.525 -6.844 23.742 1.00 0.00 H new ATOM 0 HB VAL A 53 10.559 -4.603 23.540 1.00 0.00 H new ATOM 0 HG11 VAL A 53 10.985 -2.817 25.207 1.00 0.00 H new ATOM 0 HG12 VAL A 53 10.030 -4.160 25.879 1.00 0.00 H new ATOM 0 HG13 VAL A 53 11.761 -4.017 26.267 1.00 0.00 H new ATOM 0 HG21 VAL A 53 12.568 -3.174 23.429 1.00 0.00 H new ATOM 0 HG22 VAL A 53 13.467 -4.393 24.364 1.00 0.00 H new ATOM 0 HG23 VAL A 53 12.843 -4.794 22.747 1.00 0.00 H new ATOM 825 N LYS A 54 12.495 -6.504 26.818 1.00 0.00 N ATOM 826 CA LYS A 54 13.641 -6.742 27.668 1.00 0.00 C ATOM 827 C LYS A 54 13.949 -8.233 27.766 1.00 0.00 C ATOM 828 O LYS A 54 15.114 -8.632 27.863 1.00 0.00 O ATOM 829 CB LYS A 54 13.461 -6.115 29.064 1.00 0.00 C ATOM 830 CG LYS A 54 14.702 -6.234 29.944 1.00 0.00 C ATOM 831 CD LYS A 54 14.543 -5.557 31.305 1.00 0.00 C ATOM 832 CE LYS A 54 13.451 -6.193 32.146 1.00 0.00 C ATOM 833 NZ LYS A 54 13.356 -5.565 33.482 1.00 0.00 N ATOM 0 H LYS A 54 11.625 -6.296 27.308 1.00 0.00 H new ATOM 0 HA LYS A 54 14.497 -6.251 27.205 1.00 0.00 H new ATOM 0 HB2 LYS A 54 13.204 -5.062 28.951 1.00 0.00 H new ATOM 0 HB3 LYS A 54 12.621 -6.596 29.565 1.00 0.00 H new ATOM 0 HG2 LYS A 54 14.933 -7.289 30.095 1.00 0.00 H new ATOM 0 HG3 LYS A 54 15.552 -5.793 29.423 1.00 0.00 H new ATOM 0 HD2 LYS A 54 15.489 -5.607 31.845 1.00 0.00 H new ATOM 0 HD3 LYS A 54 14.315 -4.501 31.158 1.00 0.00 H new ATOM 0 HE2 LYS A 54 12.495 -6.101 31.631 1.00 0.00 H new ATOM 0 HE3 LYS A 54 13.651 -7.259 32.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 12.600 -6.025 34.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 14.261 -5.675 33.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 13.140 -4.553 33.375 1.00 0.00 H new ATOM 847 N GLU A 55 12.921 -9.052 27.702 1.00 0.00 N ATOM 848 CA GLU A 55 13.116 -10.487 27.827 1.00 0.00 C ATOM 849 C GLU A 55 13.317 -11.233 26.499 1.00 0.00 C ATOM 850 O GLU A 55 13.672 -12.418 26.483 1.00 0.00 O ATOM 851 CB GLU A 55 12.129 -11.186 28.784 1.00 0.00 C ATOM 852 CG GLU A 55 10.666 -10.828 28.651 1.00 0.00 C ATOM 853 CD GLU A 55 10.332 -9.473 29.245 1.00 0.00 C ATOM 854 OE1 GLU A 55 9.997 -9.405 30.436 1.00 0.00 O ATOM 855 OE2 GLU A 55 10.382 -8.480 28.539 1.00 0.00 O ATOM 0 H GLU A 55 11.954 -8.758 27.566 1.00 0.00 H new ATOM 0 HA GLU A 55 14.084 -10.560 28.323 1.00 0.00 H new ATOM 0 HB2 GLU A 55 12.227 -12.262 28.643 1.00 0.00 H new ATOM 0 HB3 GLU A 55 12.438 -10.968 29.806 1.00 0.00 H new ATOM 0 HG2 GLU A 55 10.390 -10.834 27.596 1.00 0.00 H new ATOM 0 HG3 GLU A 55 10.064 -11.593 29.142 1.00 0.00 H new ATOM 862 N VAL A 56 13.095 -10.561 25.400 1.00 0.00 N ATOM 863 CA VAL A 56 13.392 -11.140 24.102 1.00 0.00 C ATOM 864 C VAL A 56 14.685 -10.507 23.564 1.00 0.00 C ATOM 865 O VAL A 56 14.759 -9.297 23.350 1.00 0.00 O ATOM 866 CB VAL A 56 12.196 -10.996 23.081 1.00 0.00 C ATOM 867 CG1 VAL A 56 11.805 -9.544 22.831 1.00 0.00 C ATOM 868 CG2 VAL A 56 12.506 -11.704 21.770 1.00 0.00 C ATOM 0 H VAL A 56 12.712 -9.616 25.370 1.00 0.00 H new ATOM 0 HA VAL A 56 13.536 -12.214 24.224 1.00 0.00 H new ATOM 0 HB VAL A 56 11.336 -11.480 23.544 1.00 0.00 H new ATOM 0 HG11 VAL A 56 10.978 -9.507 22.122 1.00 0.00 H new ATOM 0 HG12 VAL A 56 11.498 -9.083 23.770 1.00 0.00 H new ATOM 0 HG13 VAL A 56 12.658 -9.003 22.423 1.00 0.00 H new ATOM 0 HG21 VAL A 56 11.665 -11.588 21.086 1.00 0.00 H new ATOM 0 HG22 VAL A 56 13.400 -11.268 21.323 1.00 0.00 H new ATOM 0 HG23 VAL A 56 12.676 -12.764 21.960 1.00 0.00 H new ATOM 878 N LYS A 57 15.708 -11.303 23.391 1.00 0.00 N ATOM 879 CA LYS A 57 16.977 -10.785 22.954 1.00 0.00 C ATOM 880 C LYS A 57 17.278 -11.159 21.521 1.00 0.00 C ATOM 881 O LYS A 57 17.195 -12.325 21.142 1.00 0.00 O ATOM 882 CB LYS A 57 18.090 -11.276 23.865 1.00 0.00 C ATOM 883 CG LYS A 57 17.969 -10.820 25.305 1.00 0.00 C ATOM 884 CD LYS A 57 19.107 -11.362 26.144 1.00 0.00 C ATOM 885 CE LYS A 57 18.970 -10.929 27.588 1.00 0.00 C ATOM 886 NZ LYS A 57 20.052 -11.463 28.437 1.00 0.00 N ATOM 0 H LYS A 57 15.687 -12.311 23.546 1.00 0.00 H new ATOM 0 HA LYS A 57 16.919 -9.698 23.007 1.00 0.00 H new ATOM 0 HB2 LYS A 57 18.107 -12.366 23.842 1.00 0.00 H new ATOM 0 HB3 LYS A 57 19.046 -10.934 23.468 1.00 0.00 H new ATOM 0 HG2 LYS A 57 17.969 -9.731 25.346 1.00 0.00 H new ATOM 0 HG3 LYS A 57 17.017 -11.155 25.717 1.00 0.00 H new ATOM 0 HD2 LYS A 57 19.120 -12.450 26.087 1.00 0.00 H new ATOM 0 HD3 LYS A 57 20.058 -11.011 25.744 1.00 0.00 H new ATOM 0 HE2 LYS A 57 18.974 -9.840 27.641 1.00 0.00 H new ATOM 0 HE3 LYS A 57 18.008 -11.264 27.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 19.916 -11.140 29.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 20.034 -12.502 28.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 20.970 -11.123 28.085 1.00 0.00 H new ATOM 900 N LEU A 58 17.619 -10.165 20.737 1.00 0.00 N ATOM 901 CA LEU A 58 18.008 -10.359 19.351 1.00 0.00 C ATOM 902 C LEU A 58 19.512 -10.265 19.249 1.00 0.00 C ATOM 903 O LEU A 58 20.107 -9.256 19.655 1.00 0.00 O ATOM 904 CB LEU A 58 17.335 -9.319 18.399 1.00 0.00 C ATOM 905 CG LEU A 58 15.828 -9.495 18.068 1.00 0.00 C ATOM 906 CD1 LEU A 58 15.617 -10.797 17.339 1.00 0.00 C ATOM 907 CD2 LEU A 58 14.970 -9.462 19.317 1.00 0.00 C ATOM 0 H LEU A 58 17.636 -9.191 21.039 1.00 0.00 H new ATOM 0 HA LEU A 58 17.668 -11.345 19.034 1.00 0.00 H new ATOM 0 HB2 LEU A 58 17.466 -8.331 18.840 1.00 0.00 H new ATOM 0 HB3 LEU A 58 17.885 -9.324 17.458 1.00 0.00 H new ATOM 0 HG LEU A 58 15.526 -8.661 17.435 1.00 0.00 H new ATOM 0 HD11 LEU A 58 14.559 -10.917 17.108 1.00 0.00 H new ATOM 0 HD12 LEU A 58 16.192 -10.793 16.413 1.00 0.00 H new ATOM 0 HD13 LEU A 58 15.948 -11.624 17.968 1.00 0.00 H new ATOM 0 HD21 LEU A 58 13.923 -9.588 19.042 1.00 0.00 H new ATOM 0 HD22 LEU A 58 15.270 -10.269 19.986 1.00 0.00 H new ATOM 0 HD23 LEU A 58 15.100 -8.505 19.822 1.00 0.00 H new ATOM 919 N ILE A 59 20.121 -11.302 18.744 1.00 0.00 N ATOM 920 CA ILE A 59 21.554 -11.362 18.606 1.00 0.00 C ATOM 921 C ILE A 59 21.980 -11.545 17.159 1.00 0.00 C ATOM 922 O ILE A 59 21.389 -12.336 16.406 1.00 0.00 O ATOM 923 CB ILE A 59 22.190 -12.464 19.526 1.00 0.00 C ATOM 924 CG1 ILE A 59 22.044 -12.060 20.998 1.00 0.00 C ATOM 925 CG2 ILE A 59 23.650 -12.748 19.174 1.00 0.00 C ATOM 926 CD1 ILE A 59 22.718 -12.988 21.983 1.00 0.00 C ATOM 0 H ILE A 59 19.636 -12.136 18.414 1.00 0.00 H new ATOM 0 HA ILE A 59 21.936 -10.397 18.940 1.00 0.00 H new ATOM 0 HB ILE A 59 21.647 -13.394 19.355 1.00 0.00 H new ATOM 0 HG12 ILE A 59 22.453 -11.058 21.127 1.00 0.00 H new ATOM 0 HG13 ILE A 59 20.983 -12.005 21.241 1.00 0.00 H new ATOM 0 HG21 ILE A 59 24.042 -13.517 19.840 1.00 0.00 H new ATOM 0 HG22 ILE A 59 23.715 -13.094 18.142 1.00 0.00 H new ATOM 0 HG23 ILE A 59 24.236 -11.836 19.289 1.00 0.00 H new ATOM 0 HD11 ILE A 59 22.560 -12.620 22.997 1.00 0.00 H new ATOM 0 HD12 ILE A 59 22.294 -13.988 21.890 1.00 0.00 H new ATOM 0 HD13 ILE A 59 23.787 -13.026 21.774 1.00 0.00 H new ATOM 938 N SER A 60 22.969 -10.778 16.772 1.00 0.00 N ATOM 939 CA SER A 60 23.563 -10.849 15.482 1.00 0.00 C ATOM 940 C SER A 60 25.078 -10.778 15.652 1.00 0.00 C ATOM 941 O SER A 60 25.571 -9.933 16.397 1.00 0.00 O ATOM 942 CB SER A 60 23.070 -9.688 14.644 1.00 0.00 C ATOM 943 OG SER A 60 21.660 -9.696 14.581 1.00 0.00 O ATOM 0 H SER A 60 23.388 -10.068 17.373 1.00 0.00 H new ATOM 0 HA SER A 60 23.294 -11.779 14.981 1.00 0.00 H new ATOM 0 HB2 SER A 60 23.417 -8.748 15.073 1.00 0.00 H new ATOM 0 HB3 SER A 60 23.487 -9.753 13.639 1.00 0.00 H new ATOM 0 HG SER A 60 21.353 -8.940 14.038 1.00 0.00 H new ATOM 949 N ALA A 61 25.795 -11.711 15.021 1.00 0.00 N ATOM 950 CA ALA A 61 27.274 -11.787 15.068 1.00 0.00 C ATOM 951 C ALA A 61 27.802 -12.074 16.485 1.00 0.00 C ATOM 952 O ALA A 61 29.000 -11.967 16.753 1.00 0.00 O ATOM 953 CB ALA A 61 27.916 -10.531 14.473 1.00 0.00 C ATOM 0 H ALA A 61 25.370 -12.446 14.455 1.00 0.00 H new ATOM 0 HA ALA A 61 27.566 -12.635 14.449 1.00 0.00 H new ATOM 0 HB1 ALA A 61 29.001 -10.619 14.523 1.00 0.00 H new ATOM 0 HB2 ALA A 61 27.608 -10.423 13.433 1.00 0.00 H new ATOM 0 HB3 ALA A 61 27.596 -9.656 15.039 1.00 0.00 H new ATOM 959 N GLY A 62 26.919 -12.502 17.352 1.00 0.00 N ATOM 960 CA GLY A 62 27.290 -12.783 18.727 1.00 0.00 C ATOM 961 C GLY A 62 27.160 -11.565 19.626 1.00 0.00 C ATOM 962 O GLY A 62 27.835 -11.466 20.659 1.00 0.00 O ATOM 0 H GLY A 62 25.936 -12.665 17.135 1.00 0.00 H new ATOM 0 HA2 GLY A 62 26.660 -13.584 19.113 1.00 0.00 H new ATOM 0 HA3 GLY A 62 28.318 -13.144 18.756 1.00 0.00 H new ATOM 966 N LYS A 63 26.309 -10.644 19.242 1.00 0.00 N ATOM 967 CA LYS A 63 26.086 -9.444 20.009 1.00 0.00 C ATOM 968 C LYS A 63 24.589 -9.150 20.128 1.00 0.00 C ATOM 969 O LYS A 63 23.846 -9.259 19.143 1.00 0.00 O ATOM 970 CB LYS A 63 26.811 -8.270 19.338 1.00 0.00 C ATOM 971 CG LYS A 63 26.619 -6.913 20.005 1.00 0.00 C ATOM 972 CD LYS A 63 27.165 -6.894 21.406 1.00 0.00 C ATOM 973 CE LYS A 63 26.984 -5.540 22.041 1.00 0.00 C ATOM 974 NZ LYS A 63 27.536 -5.503 23.404 1.00 0.00 N ATOM 0 H LYS A 63 25.752 -10.706 18.390 1.00 0.00 H new ATOM 0 HA LYS A 63 26.482 -9.585 21.015 1.00 0.00 H new ATOM 0 HB2 LYS A 63 27.877 -8.493 19.309 1.00 0.00 H new ATOM 0 HB3 LYS A 63 26.472 -8.199 18.305 1.00 0.00 H new ATOM 0 HG2 LYS A 63 27.114 -6.144 19.412 1.00 0.00 H new ATOM 0 HG3 LYS A 63 25.558 -6.666 20.026 1.00 0.00 H new ATOM 0 HD2 LYS A 63 26.660 -7.651 22.006 1.00 0.00 H new ATOM 0 HD3 LYS A 63 28.224 -7.153 21.390 1.00 0.00 H new ATOM 0 HE2 LYS A 63 27.473 -4.782 21.429 1.00 0.00 H new ATOM 0 HE3 LYS A 63 25.923 -5.290 22.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 27.394 -4.556 23.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 27.052 -6.209 23.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 28.553 -5.717 23.373 1.00 0.00 H new ATOM 988 N VAL A 64 24.155 -8.810 21.338 1.00 0.00 N ATOM 989 CA VAL A 64 22.772 -8.425 21.596 1.00 0.00 C ATOM 990 C VAL A 64 22.538 -7.029 21.044 1.00 0.00 C ATOM 991 O VAL A 64 23.222 -6.071 21.435 1.00 0.00 O ATOM 992 CB VAL A 64 22.435 -8.429 23.122 1.00 0.00 C ATOM 993 CG1 VAL A 64 20.977 -8.042 23.361 1.00 0.00 C ATOM 994 CG2 VAL A 64 22.728 -9.780 23.752 1.00 0.00 C ATOM 0 H VAL A 64 24.751 -8.794 22.166 1.00 0.00 H new ATOM 0 HA VAL A 64 22.125 -9.154 21.108 1.00 0.00 H new ATOM 0 HB VAL A 64 23.076 -7.686 23.597 1.00 0.00 H new ATOM 0 HG11 VAL A 64 20.768 -8.052 24.431 1.00 0.00 H new ATOM 0 HG12 VAL A 64 20.796 -7.042 22.966 1.00 0.00 H new ATOM 0 HG13 VAL A 64 20.324 -8.755 22.857 1.00 0.00 H new ATOM 0 HG21 VAL A 64 22.482 -9.747 24.813 1.00 0.00 H new ATOM 0 HG22 VAL A 64 22.127 -10.547 23.264 1.00 0.00 H new ATOM 0 HG23 VAL A 64 23.785 -10.016 23.631 1.00 0.00 H new ATOM 1004 N LEU A 65 21.593 -6.925 20.145 1.00 0.00 N ATOM 1005 CA LEU A 65 21.258 -5.683 19.492 1.00 0.00 C ATOM 1006 C LEU A 65 20.703 -4.668 20.487 1.00 0.00 C ATOM 1007 O LEU A 65 19.909 -5.020 21.377 1.00 0.00 O ATOM 1008 CB LEU A 65 20.230 -5.940 18.397 1.00 0.00 C ATOM 1009 CG LEU A 65 20.632 -6.914 17.290 1.00 0.00 C ATOM 1010 CD1 LEU A 65 19.497 -7.080 16.297 1.00 0.00 C ATOM 1011 CD2 LEU A 65 21.878 -6.436 16.579 1.00 0.00 C ATOM 0 H LEU A 65 21.024 -7.715 19.840 1.00 0.00 H new ATOM 0 HA LEU A 65 22.168 -5.272 19.056 1.00 0.00 H new ATOM 0 HB2 LEU A 65 19.321 -6.315 18.866 1.00 0.00 H new ATOM 0 HB3 LEU A 65 19.980 -4.985 17.935 1.00 0.00 H new ATOM 0 HG LEU A 65 20.846 -7.880 17.748 1.00 0.00 H new ATOM 0 HD11 LEU A 65 19.797 -7.776 15.514 1.00 0.00 H new ATOM 0 HD12 LEU A 65 18.618 -7.469 16.811 1.00 0.00 H new ATOM 0 HD13 LEU A 65 19.259 -6.114 15.852 1.00 0.00 H new ATOM 0 HD21 LEU A 65 22.145 -7.145 15.796 1.00 0.00 H new ATOM 0 HD22 LEU A 65 21.691 -5.458 16.135 1.00 0.00 H new ATOM 0 HD23 LEU A 65 22.698 -6.359 17.293 1.00 0.00 H new ATOM 1023 N GLU A 66 21.122 -3.439 20.335 1.00 0.00 N ATOM 1024 CA GLU A 66 20.682 -2.355 21.175 1.00 0.00 C ATOM 1025 C GLU A 66 19.516 -1.659 20.461 1.00 0.00 C ATOM 1026 O GLU A 66 19.642 -1.254 19.303 1.00 0.00 O ATOM 1027 CB GLU A 66 21.896 -1.425 21.443 1.00 0.00 C ATOM 1028 CG GLU A 66 21.722 -0.307 22.482 1.00 0.00 C ATOM 1029 CD GLU A 66 20.887 0.851 22.032 1.00 0.00 C ATOM 1030 OE1 GLU A 66 21.405 1.710 21.285 1.00 0.00 O ATOM 1031 OE2 GLU A 66 19.701 0.945 22.437 1.00 0.00 O ATOM 0 H GLU A 66 21.787 -3.159 19.615 1.00 0.00 H new ATOM 0 HA GLU A 66 20.319 -2.688 22.147 1.00 0.00 H new ATOM 0 HB2 GLU A 66 22.733 -2.048 21.758 1.00 0.00 H new ATOM 0 HB3 GLU A 66 22.180 -0.963 20.497 1.00 0.00 H new ATOM 0 HG2 GLU A 66 21.273 -0.732 23.379 1.00 0.00 H new ATOM 0 HG3 GLU A 66 22.708 0.063 22.764 1.00 0.00 H new ATOM 1038 N ASN A 67 18.388 -1.543 21.162 1.00 0.00 N ATOM 1039 CA ASN A 67 17.094 -1.052 20.602 1.00 0.00 C ATOM 1040 C ASN A 67 17.175 0.289 19.851 1.00 0.00 C ATOM 1041 O ASN A 67 16.325 0.570 18.990 1.00 0.00 O ATOM 1042 CB ASN A 67 16.009 -0.915 21.691 1.00 0.00 C ATOM 1043 CG ASN A 67 15.701 -2.187 22.459 1.00 0.00 C ATOM 1044 OD1 ASN A 67 15.859 -3.303 21.967 1.00 0.00 O ATOM 1045 ND2 ASN A 67 15.217 -2.021 23.661 1.00 0.00 N ATOM 0 H ASN A 67 18.329 -1.787 22.151 1.00 0.00 H new ATOM 0 HA ASN A 67 16.830 -1.823 19.878 1.00 0.00 H new ATOM 0 HB2 ASN A 67 16.323 -0.149 22.400 1.00 0.00 H new ATOM 0 HB3 ASN A 67 15.090 -0.560 21.224 1.00 0.00 H new ATOM 0 HD21 ASN A 67 14.957 -2.832 24.223 1.00 0.00 H new ATOM 0 HD22 ASN A 67 15.099 -1.081 24.038 1.00 0.00 H new ATOM 1052 N SER A 68 18.149 1.118 20.167 1.00 0.00 N ATOM 1053 CA SER A 68 18.234 2.439 19.558 1.00 0.00 C ATOM 1054 C SER A 68 18.884 2.391 18.177 1.00 0.00 C ATOM 1055 O SER A 68 18.765 3.334 17.385 1.00 0.00 O ATOM 1056 CB SER A 68 18.976 3.390 20.476 1.00 0.00 C ATOM 1057 OG SER A 68 18.463 3.290 21.798 1.00 0.00 O ATOM 0 H SER A 68 18.890 0.907 20.836 1.00 0.00 H new ATOM 0 HA SER A 68 17.218 2.807 19.417 1.00 0.00 H new ATOM 0 HB2 SER A 68 20.041 3.156 20.472 1.00 0.00 H new ATOM 0 HB3 SER A 68 18.873 4.413 20.114 1.00 0.00 H new ATOM 0 HG SER A 68 18.829 2.491 22.231 1.00 0.00 H new ATOM 1063 N LYS A 69 19.552 1.309 17.891 1.00 0.00 N ATOM 1064 CA LYS A 69 20.177 1.117 16.613 1.00 0.00 C ATOM 1065 C LYS A 69 19.174 0.689 15.593 1.00 0.00 C ATOM 1066 O LYS A 69 18.049 0.310 15.919 1.00 0.00 O ATOM 1067 CB LYS A 69 21.284 0.073 16.688 1.00 0.00 C ATOM 1068 CG LYS A 69 22.572 0.534 17.336 1.00 0.00 C ATOM 1069 CD LYS A 69 23.275 1.560 16.473 1.00 0.00 C ATOM 1070 CE LYS A 69 24.630 1.939 17.039 1.00 0.00 C ATOM 1071 NZ LYS A 69 25.326 2.915 16.170 1.00 0.00 N ATOM 0 H LYS A 69 19.679 0.533 18.540 1.00 0.00 H new ATOM 0 HA LYS A 69 20.611 2.073 16.321 1.00 0.00 H new ATOM 0 HB2 LYS A 69 20.909 -0.790 17.239 1.00 0.00 H new ATOM 0 HB3 LYS A 69 21.508 -0.267 15.677 1.00 0.00 H new ATOM 0 HG2 LYS A 69 22.358 0.962 18.315 1.00 0.00 H new ATOM 0 HG3 LYS A 69 23.228 -0.321 17.499 1.00 0.00 H new ATOM 0 HD2 LYS A 69 23.400 1.163 15.466 1.00 0.00 H new ATOM 0 HD3 LYS A 69 22.654 2.452 16.389 1.00 0.00 H new ATOM 0 HE2 LYS A 69 24.504 2.362 18.036 1.00 0.00 H new ATOM 0 HE3 LYS A 69 25.243 1.045 17.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 26.352 2.852 16.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 25.117 2.703 15.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 24.998 3.876 16.396 1.00 0.00 H new ATOM 1085 N THR A 70 19.565 0.771 14.377 1.00 0.00 N ATOM 1086 CA THR A 70 18.803 0.319 13.308 1.00 0.00 C ATOM 1087 C THR A 70 19.494 -0.879 12.728 1.00 0.00 C ATOM 1088 O THR A 70 20.722 -1.019 12.884 1.00 0.00 O ATOM 1089 CB THR A 70 18.660 1.424 12.266 1.00 0.00 C ATOM 1090 OG1 THR A 70 19.949 1.986 11.966 1.00 0.00 O ATOM 1091 CG2 THR A 70 17.713 2.507 12.740 1.00 0.00 C ATOM 0 H THR A 70 20.462 1.173 14.103 1.00 0.00 H new ATOM 0 HA THR A 70 17.801 0.044 13.636 1.00 0.00 H new ATOM 0 HB THR A 70 18.240 0.985 11.361 1.00 0.00 H new ATOM 0 HG1 THR A 70 19.849 2.693 11.295 1.00 0.00 H new ATOM 0 HG21 THR A 70 17.632 3.280 11.976 1.00 0.00 H new ATOM 0 HG22 THR A 70 16.729 2.075 12.925 1.00 0.00 H new ATOM 0 HG23 THR A 70 18.095 2.947 13.661 1.00 0.00 H new ATOM 1099 N VAL A 71 18.743 -1.745 12.087 1.00 0.00 N ATOM 1100 CA VAL A 71 19.313 -2.945 11.507 1.00 0.00 C ATOM 1101 C VAL A 71 20.384 -2.554 10.478 1.00 0.00 C ATOM 1102 O VAL A 71 21.503 -3.050 10.513 1.00 0.00 O ATOM 1103 CB VAL A 71 18.206 -3.829 10.860 1.00 0.00 C ATOM 1104 CG1 VAL A 71 18.787 -5.095 10.271 1.00 0.00 C ATOM 1105 CG2 VAL A 71 17.134 -4.173 11.883 1.00 0.00 C ATOM 0 H VAL A 71 17.737 -1.644 11.953 1.00 0.00 H new ATOM 0 HA VAL A 71 19.780 -3.536 12.294 1.00 0.00 H new ATOM 0 HB VAL A 71 17.754 -3.255 10.051 1.00 0.00 H new ATOM 0 HG11 VAL A 71 17.988 -5.690 9.827 1.00 0.00 H new ATOM 0 HG12 VAL A 71 19.517 -4.838 9.504 1.00 0.00 H new ATOM 0 HG13 VAL A 71 19.275 -5.671 11.057 1.00 0.00 H new ATOM 0 HG21 VAL A 71 16.368 -4.791 11.414 1.00 0.00 H new ATOM 0 HG22 VAL A 71 17.584 -4.719 12.712 1.00 0.00 H new ATOM 0 HG23 VAL A 71 16.680 -3.255 12.257 1.00 0.00 H new ATOM 1115 N LYS A 72 20.031 -1.613 9.628 1.00 0.00 N ATOM 1116 CA LYS A 72 20.902 -1.086 8.577 1.00 0.00 C ATOM 1117 C LYS A 72 22.199 -0.482 9.130 1.00 0.00 C ATOM 1118 O LYS A 72 23.233 -0.552 8.479 1.00 0.00 O ATOM 1119 CB LYS A 72 20.140 -0.049 7.740 1.00 0.00 C ATOM 1120 CG LYS A 72 20.914 0.541 6.572 1.00 0.00 C ATOM 1121 CD LYS A 72 20.046 1.499 5.774 1.00 0.00 C ATOM 1122 CE LYS A 72 20.798 2.080 4.592 1.00 0.00 C ATOM 1123 NZ LYS A 72 19.939 2.962 3.774 1.00 0.00 N ATOM 0 H LYS A 72 19.109 -1.177 9.642 1.00 0.00 H new ATOM 0 HA LYS A 72 21.193 -1.925 7.945 1.00 0.00 H new ATOM 0 HB2 LYS A 72 19.232 -0.514 7.355 1.00 0.00 H new ATOM 0 HB3 LYS A 72 19.828 0.764 8.395 1.00 0.00 H new ATOM 0 HG2 LYS A 72 21.795 1.065 6.942 1.00 0.00 H new ATOM 0 HG3 LYS A 72 21.269 -0.260 5.924 1.00 0.00 H new ATOM 0 HD2 LYS A 72 19.157 0.977 5.420 1.00 0.00 H new ATOM 0 HD3 LYS A 72 19.704 2.307 6.421 1.00 0.00 H new ATOM 0 HE2 LYS A 72 21.660 2.643 4.951 1.00 0.00 H new ATOM 0 HE3 LYS A 72 21.182 1.270 3.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 20.489 3.339 2.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 19.130 2.419 3.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 19.593 3.749 4.359 1.00 0.00 H new ATOM 1137 N ASP A 73 22.148 0.120 10.318 1.00 0.00 N ATOM 1138 CA ASP A 73 23.366 0.708 10.902 1.00 0.00 C ATOM 1139 C ASP A 73 24.278 -0.396 11.362 1.00 0.00 C ATOM 1140 O ASP A 73 25.503 -0.322 11.234 1.00 0.00 O ATOM 1141 CB ASP A 73 23.063 1.611 12.121 1.00 0.00 C ATOM 1142 CG ASP A 73 24.316 2.304 12.649 1.00 0.00 C ATOM 1143 OD1 ASP A 73 24.791 3.265 12.006 1.00 0.00 O ATOM 1144 OD2 ASP A 73 24.850 1.894 13.704 1.00 0.00 O ATOM 0 H ASP A 73 21.306 0.215 10.885 1.00 0.00 H new ATOM 0 HA ASP A 73 23.829 1.319 10.127 1.00 0.00 H new ATOM 0 HB2 ASP A 73 22.325 2.362 11.840 1.00 0.00 H new ATOM 0 HB3 ASP A 73 22.620 1.010 12.915 1.00 0.00 H new ATOM 1149 N TYR A 74 23.668 -1.431 11.879 1.00 0.00 N ATOM 1150 CA TYR A 74 24.387 -2.519 12.457 1.00 0.00 C ATOM 1151 C TYR A 74 25.031 -3.379 11.369 1.00 0.00 C ATOM 1152 O TYR A 74 26.192 -3.793 11.498 1.00 0.00 O ATOM 1153 CB TYR A 74 23.432 -3.359 13.303 1.00 0.00 C ATOM 1154 CG TYR A 74 24.126 -4.347 14.182 1.00 0.00 C ATOM 1155 CD1 TYR A 74 24.421 -5.635 13.748 1.00 0.00 C ATOM 1156 CD2 TYR A 74 24.501 -3.982 15.455 1.00 0.00 C ATOM 1157 CE1 TYR A 74 25.076 -6.521 14.573 1.00 0.00 C ATOM 1158 CE2 TYR A 74 25.143 -4.853 16.278 1.00 0.00 C ATOM 1159 CZ TYR A 74 25.432 -6.120 15.839 1.00 0.00 C ATOM 1160 OH TYR A 74 26.093 -6.980 16.665 1.00 0.00 O ATOM 0 H TYR A 74 22.654 -1.536 11.907 1.00 0.00 H new ATOM 0 HA TYR A 74 25.183 -2.126 13.090 1.00 0.00 H new ATOM 0 HB2 TYR A 74 22.828 -2.695 13.922 1.00 0.00 H new ATOM 0 HB3 TYR A 74 22.747 -3.891 12.643 1.00 0.00 H new ATOM 0 HD1 TYR A 74 24.133 -5.943 12.754 1.00 0.00 H new ATOM 0 HD2 TYR A 74 24.281 -2.985 15.807 1.00 0.00 H new ATOM 0 HE1 TYR A 74 25.307 -7.519 14.230 1.00 0.00 H new ATOM 0 HE2 TYR A 74 25.425 -4.548 17.275 1.00 0.00 H new ATOM 0 HH TYR A 74 25.856 -7.902 16.434 1.00 0.00 H new ATOM 1170 N ARG A 75 24.295 -3.621 10.301 1.00 0.00 N ATOM 1171 CA ARG A 75 24.754 -4.423 9.225 1.00 0.00 C ATOM 1172 C ARG A 75 25.765 -3.665 8.408 1.00 0.00 C ATOM 1173 O ARG A 75 25.491 -2.564 7.937 1.00 0.00 O ATOM 1174 CB ARG A 75 23.588 -4.783 8.331 1.00 0.00 C ATOM 1175 CG ARG A 75 22.441 -5.470 9.025 1.00 0.00 C ATOM 1176 CD ARG A 75 21.358 -5.874 8.048 1.00 0.00 C ATOM 1177 NE ARG A 75 21.775 -6.955 7.158 1.00 0.00 N ATOM 1178 CZ ARG A 75 20.991 -7.494 6.229 1.00 0.00 C ATOM 1179 NH1 ARG A 75 19.857 -6.892 5.877 1.00 0.00 N ATOM 1180 NH2 ARG A 75 21.372 -8.613 5.614 1.00 0.00 N ATOM 0 H ARG A 75 23.352 -3.253 10.172 1.00 0.00 H new ATOM 0 HA ARG A 75 25.212 -5.324 9.632 1.00 0.00 H new ATOM 0 HB2 ARG A 75 23.216 -3.873 7.861 1.00 0.00 H new ATOM 0 HB3 ARG A 75 23.949 -5.430 7.531 1.00 0.00 H new ATOM 0 HG2 ARG A 75 22.808 -6.353 9.547 1.00 0.00 H new ATOM 0 HG3 ARG A 75 22.021 -4.805 9.780 1.00 0.00 H new ATOM 0 HD2 ARG A 75 20.473 -6.186 8.602 1.00 0.00 H new ATOM 0 HD3 ARG A 75 21.071 -5.008 7.451 1.00 0.00 H new ATOM 0 HE ARG A 75 22.723 -7.318 7.255 1.00 0.00 H new ATOM 0 HH11 ARG A 75 19.587 -6.014 6.320 1.00 0.00 H new ATOM 0 HH12 ARG A 75 19.258 -7.309 5.164 1.00 0.00 H new ATOM 0 HH21 ARG A 75 22.261 -9.051 5.857 1.00 0.00 H new ATOM 0 HH22 ARG A 75 20.775 -9.031 4.901 1.00 0.00 H new ATOM 1306 N VAL A 85 16.842 -12.897 2.477 1.00 0.00 N ATOM 1307 CA VAL A 85 16.290 -13.122 3.790 1.00 0.00 C ATOM 1308 C VAL A 85 17.400 -13.003 4.821 1.00 0.00 C ATOM 1309 O VAL A 85 18.509 -13.484 4.614 1.00 0.00 O ATOM 1310 CB VAL A 85 15.601 -14.519 3.908 1.00 0.00 C ATOM 1311 CG1 VAL A 85 15.017 -14.738 5.305 1.00 0.00 C ATOM 1312 CG2 VAL A 85 14.512 -14.677 2.856 1.00 0.00 C ATOM 0 HA VAL A 85 15.523 -12.369 3.969 1.00 0.00 H new ATOM 0 HB VAL A 85 16.367 -15.275 3.737 1.00 0.00 H new ATOM 0 HG11 VAL A 85 14.545 -15.719 5.352 1.00 0.00 H new ATOM 0 HG12 VAL A 85 15.815 -14.683 6.046 1.00 0.00 H new ATOM 0 HG13 VAL A 85 14.274 -13.968 5.514 1.00 0.00 H new ATOM 0 HG21 VAL A 85 14.047 -15.657 2.958 1.00 0.00 H new ATOM 0 HG22 VAL A 85 13.758 -13.902 2.993 1.00 0.00 H new ATOM 0 HG23 VAL A 85 14.950 -14.585 1.862 1.00 0.00 H new ATOM 1322 N THR A 86 17.119 -12.332 5.880 1.00 0.00 N ATOM 1323 CA THR A 86 18.054 -12.158 6.942 1.00 0.00 C ATOM 1324 C THR A 86 17.559 -12.950 8.150 1.00 0.00 C ATOM 1325 O THR A 86 16.368 -12.960 8.443 1.00 0.00 O ATOM 1326 CB THR A 86 18.168 -10.662 7.283 1.00 0.00 C ATOM 1327 OG1 THR A 86 18.440 -9.945 6.064 1.00 0.00 O ATOM 1328 CG2 THR A 86 19.296 -10.404 8.277 1.00 0.00 C ATOM 0 H THR A 86 16.219 -11.879 6.039 1.00 0.00 H new ATOM 0 HA THR A 86 19.040 -12.519 6.650 1.00 0.00 H new ATOM 0 HB THR A 86 17.235 -10.329 7.738 1.00 0.00 H new ATOM 0 HG1 THR A 86 18.357 -8.982 6.226 1.00 0.00 H new ATOM 0 HG21 THR A 86 19.350 -9.338 8.497 1.00 0.00 H new ATOM 0 HG22 THR A 86 19.103 -10.955 9.197 1.00 0.00 H new ATOM 0 HG23 THR A 86 20.242 -10.734 7.848 1.00 0.00 H new ATOM 1336 N THR A 87 18.442 -13.636 8.811 1.00 0.00 N ATOM 1337 CA THR A 87 18.070 -14.426 9.944 1.00 0.00 C ATOM 1338 C THR A 87 18.801 -13.935 11.188 1.00 0.00 C ATOM 1339 O THR A 87 20.024 -13.786 11.180 1.00 0.00 O ATOM 1340 CB THR A 87 18.395 -15.911 9.688 1.00 0.00 C ATOM 1341 OG1 THR A 87 17.766 -16.319 8.457 1.00 0.00 O ATOM 1342 CG2 THR A 87 17.871 -16.786 10.823 1.00 0.00 C ATOM 0 H THR A 87 19.435 -13.664 8.581 1.00 0.00 H new ATOM 0 HA THR A 87 16.997 -14.326 10.104 1.00 0.00 H new ATOM 0 HB THR A 87 19.477 -16.028 9.627 1.00 0.00 H new ATOM 0 HG1 THR A 87 17.968 -17.262 8.283 1.00 0.00 H new ATOM 0 HG21 THR A 87 18.113 -17.829 10.619 1.00 0.00 H new ATOM 0 HG22 THR A 87 18.336 -16.482 11.761 1.00 0.00 H new ATOM 0 HG23 THR A 87 16.790 -16.672 10.901 1.00 0.00 H new ATOM 1350 N MET A 88 18.053 -13.648 12.232 1.00 0.00 N ATOM 1351 CA MET A 88 18.632 -13.208 13.498 1.00 0.00 C ATOM 1352 C MET A 88 18.289 -14.158 14.622 1.00 0.00 C ATOM 1353 O MET A 88 17.192 -14.735 14.650 1.00 0.00 O ATOM 1354 CB MET A 88 18.296 -11.752 13.828 1.00 0.00 C ATOM 1355 CG MET A 88 18.992 -10.753 12.904 1.00 0.00 C ATOM 1356 SD MET A 88 18.602 -9.032 13.264 1.00 0.00 S ATOM 1357 CE MET A 88 16.868 -9.010 12.908 1.00 0.00 C ATOM 0 H MET A 88 17.035 -13.710 12.235 1.00 0.00 H new ATOM 0 HA MET A 88 19.715 -13.236 13.379 1.00 0.00 H new ATOM 0 HB2 MET A 88 17.217 -11.610 13.761 1.00 0.00 H new ATOM 0 HB3 MET A 88 18.581 -11.544 14.859 1.00 0.00 H new ATOM 0 HG2 MET A 88 20.070 -10.894 12.979 1.00 0.00 H new ATOM 0 HG3 MET A 88 18.713 -10.971 11.873 1.00 0.00 H new ATOM 0 HE1 MET A 88 16.545 -7.984 12.734 1.00 0.00 H new ATOM 0 HE2 MET A 88 16.672 -9.608 12.018 1.00 0.00 H new ATOM 0 HE3 MET A 88 16.318 -9.425 13.753 1.00 0.00 H new ATOM 1367 N HIS A 89 19.231 -14.350 15.521 1.00 0.00 N ATOM 1368 CA HIS A 89 19.092 -15.326 16.582 1.00 0.00 C ATOM 1369 C HIS A 89 18.391 -14.709 17.789 1.00 0.00 C ATOM 1370 O HIS A 89 18.755 -13.629 18.246 1.00 0.00 O ATOM 1371 CB HIS A 89 20.480 -15.865 16.967 1.00 0.00 C ATOM 1372 CG HIS A 89 20.468 -17.080 17.855 1.00 0.00 C ATOM 1373 ND1 HIS A 89 21.341 -17.266 18.902 1.00 0.00 N ATOM 1374 CD2 HIS A 89 19.716 -18.201 17.801 1.00 0.00 C ATOM 1375 CE1 HIS A 89 21.126 -18.438 19.450 1.00 0.00 C ATOM 1376 NE2 HIS A 89 20.141 -19.028 18.799 1.00 0.00 N ATOM 0 H HIS A 89 20.112 -13.836 15.538 1.00 0.00 H new ATOM 0 HA HIS A 89 18.478 -16.155 16.230 1.00 0.00 H new ATOM 0 HB2 HIS A 89 21.025 -16.106 16.054 1.00 0.00 H new ATOM 0 HB3 HIS A 89 21.034 -15.072 17.469 1.00 0.00 H new ATOM 0 HD1 HIS A 89 22.047 -16.595 19.205 1.00 0.00 H new ATOM 0 HD2 HIS A 89 18.923 -18.405 17.096 1.00 0.00 H new ATOM 0 HE1 HIS A 89 21.664 -18.850 20.291 1.00 0.00 H new ATOM 1385 N VAL A 90 17.397 -15.399 18.277 1.00 0.00 N ATOM 1386 CA VAL A 90 16.605 -14.961 19.408 1.00 0.00 C ATOM 1387 C VAL A 90 16.958 -15.763 20.629 1.00 0.00 C ATOM 1388 O VAL A 90 16.960 -17.010 20.621 1.00 0.00 O ATOM 1389 CB VAL A 90 15.084 -15.091 19.138 1.00 0.00 C ATOM 1390 CG1 VAL A 90 14.264 -14.581 20.315 1.00 0.00 C ATOM 1391 CG2 VAL A 90 14.701 -14.362 17.877 1.00 0.00 C ATOM 0 H VAL A 90 17.104 -16.299 17.897 1.00 0.00 H new ATOM 0 HA VAL A 90 16.833 -13.908 19.571 1.00 0.00 H new ATOM 0 HB VAL A 90 14.863 -16.151 19.009 1.00 0.00 H new ATOM 0 HG11 VAL A 90 13.202 -14.687 20.092 1.00 0.00 H new ATOM 0 HG12 VAL A 90 14.507 -15.160 21.206 1.00 0.00 H new ATOM 0 HG13 VAL A 90 14.495 -13.530 20.491 1.00 0.00 H new ATOM 0 HG21 VAL A 90 13.629 -14.467 17.707 1.00 0.00 H new ATOM 0 HG22 VAL A 90 14.951 -13.306 17.977 1.00 0.00 H new ATOM 0 HG23 VAL A 90 15.245 -14.785 17.033 1.00 0.00 H new ATOM 1401 N ILE A 91 17.271 -15.056 21.646 1.00 0.00 N ATOM 1402 CA ILE A 91 17.596 -15.597 22.910 1.00 0.00 C ATOM 1403 C ILE A 91 16.458 -15.312 23.851 1.00 0.00 C ATOM 1404 O ILE A 91 15.984 -14.173 23.960 1.00 0.00 O ATOM 1405 CB ILE A 91 18.947 -15.035 23.451 1.00 0.00 C ATOM 1406 CG1 ILE A 91 20.166 -15.628 22.703 1.00 0.00 C ATOM 1407 CG2 ILE A 91 19.102 -15.229 24.960 1.00 0.00 C ATOM 1408 CD1 ILE A 91 20.252 -15.287 21.234 1.00 0.00 C ATOM 0 H ILE A 91 17.310 -14.037 21.620 1.00 0.00 H new ATOM 0 HA ILE A 91 17.735 -16.674 22.820 1.00 0.00 H new ATOM 0 HB ILE A 91 18.919 -13.963 23.258 1.00 0.00 H new ATOM 0 HG12 ILE A 91 21.076 -15.281 23.193 1.00 0.00 H new ATOM 0 HG13 ILE A 91 20.142 -16.713 22.806 1.00 0.00 H new ATOM 0 HG21 ILE A 91 20.059 -14.820 25.283 1.00 0.00 H new ATOM 0 HG22 ILE A 91 18.294 -14.713 25.478 1.00 0.00 H new ATOM 0 HG23 ILE A 91 19.064 -16.292 25.196 1.00 0.00 H new ATOM 0 HD11 ILE A 91 21.140 -15.750 20.804 1.00 0.00 H new ATOM 0 HD12 ILE A 91 19.365 -15.659 20.722 1.00 0.00 H new ATOM 0 HD13 ILE A 91 20.313 -14.205 21.115 1.00 0.00 H new ATOM 1420 N ILE A 92 16.005 -16.343 24.489 1.00 0.00 N ATOM 1421 CA ILE A 92 14.880 -16.272 25.354 1.00 0.00 C ATOM 1422 C ILE A 92 15.312 -16.071 26.789 1.00 0.00 C ATOM 1423 O ILE A 92 16.045 -16.894 27.353 1.00 0.00 O ATOM 1424 CB ILE A 92 13.968 -17.563 25.231 1.00 0.00 C ATOM 1425 CG1 ILE A 92 13.169 -17.611 23.896 1.00 0.00 C ATOM 1426 CG2 ILE A 92 13.029 -17.713 26.421 1.00 0.00 C ATOM 1427 CD1 ILE A 92 13.999 -17.680 22.633 1.00 0.00 C ATOM 0 H ILE A 92 16.417 -17.274 24.420 1.00 0.00 H new ATOM 0 HA ILE A 92 14.288 -15.410 25.045 1.00 0.00 H new ATOM 0 HB ILE A 92 14.654 -18.410 25.230 1.00 0.00 H new ATOM 0 HG12 ILE A 92 12.508 -18.477 23.921 1.00 0.00 H new ATOM 0 HG13 ILE A 92 12.534 -16.727 23.843 1.00 0.00 H new ATOM 0 HG21 ILE A 92 12.423 -18.610 26.295 1.00 0.00 H new ATOM 0 HG22 ILE A 92 13.613 -17.795 27.337 1.00 0.00 H new ATOM 0 HG23 ILE A 92 12.378 -16.841 26.483 1.00 0.00 H new ATOM 0 HD11 ILE A 92 13.340 -17.709 21.765 1.00 0.00 H new ATOM 0 HD12 ILE A 92 14.641 -16.802 22.571 1.00 0.00 H new ATOM 0 HD13 ILE A 92 14.615 -18.579 22.651 1.00 0.00 H new ATOM 1439 N GLN A 93 14.898 -14.977 27.349 1.00 0.00 N ATOM 1440 CA GLN A 93 15.061 -14.728 28.731 1.00 0.00 C ATOM 1441 C GLN A 93 13.705 -14.947 29.343 1.00 0.00 C ATOM 1442 O GLN A 93 12.761 -14.217 29.056 1.00 0.00 O ATOM 1443 CB GLN A 93 15.557 -13.298 28.969 1.00 0.00 C ATOM 1444 CG GLN A 93 15.691 -12.918 30.434 1.00 0.00 C ATOM 1445 CD GLN A 93 16.240 -11.519 30.630 1.00 0.00 C ATOM 1446 OE1 GLN A 93 17.021 -11.030 29.829 1.00 0.00 O ATOM 1447 NE2 GLN A 93 15.835 -10.867 31.682 1.00 0.00 N ATOM 0 H GLN A 93 14.431 -14.225 26.842 1.00 0.00 H new ATOM 0 HA GLN A 93 15.807 -15.386 29.178 1.00 0.00 H new ATOM 0 HB2 GLN A 93 16.526 -13.177 28.484 1.00 0.00 H new ATOM 0 HB3 GLN A 93 14.870 -12.603 28.487 1.00 0.00 H new ATOM 0 HG2 GLN A 93 14.715 -12.991 30.914 1.00 0.00 H new ATOM 0 HG3 GLN A 93 16.346 -13.633 30.932 1.00 0.00 H new ATOM 0 HE21 GLN A 93 15.182 -11.304 32.332 1.00 0.00 H new ATOM 0 HE22 GLN A 93 16.171 -9.920 31.856 1.00 0.00 H new ATOM 1456 N ALA A 94 13.588 -15.980 30.111 1.00 0.00 N ATOM 1457 CA ALA A 94 12.325 -16.330 30.707 1.00 0.00 C ATOM 1458 C ALA A 94 11.972 -15.406 31.867 1.00 0.00 C ATOM 1459 O ALA A 94 12.694 -15.345 32.874 1.00 0.00 O ATOM 1460 CB ALA A 94 12.320 -17.779 31.145 1.00 0.00 C ATOM 0 H ALA A 94 14.357 -16.607 30.347 1.00 0.00 H new ATOM 0 HA ALA A 94 11.556 -16.201 29.945 1.00 0.00 H new ATOM 0 HB1 ALA A 94 11.356 -18.021 31.592 1.00 0.00 H new ATOM 0 HB2 ALA A 94 12.490 -18.421 30.281 1.00 0.00 H new ATOM 0 HB3 ALA A 94 13.111 -17.940 31.878 1.00 0.00 H new