USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 559 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 22 SER OG : rot -165:sc= 2.14 USER MOD Set 1.2: A 25 THR OG1 : rot 52:sc= 0.828 USER MOD Set 2.1: A 15 LYS NZ :NH3+ 171:sc= 0.755 (180deg=-0.453) USER MOD Set 2.2: A 61 THR OG1 : rot -130:sc= 2.17 USER MOD Single : A 12 GLN : amide:sc=-0.000871 K(o=-0.00087,f=-0.85) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.145 USER MOD Single : A 29 SER OG : rot 180:sc= -0.077 USER MOD Single : A 32 SER OG : rot 100:sc= 1.27 USER MOD Single : A 33 HIS :FLIP no HE2:sc= -0.613 F(o=-1.4,f=-0.61) USER MOD Single : A 36 GLN :FLIP amide:sc= -0.0318 F(o=-0.95,f=-0.032) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -100:sc= 0.15 USER MOD Single : A 43 CYS SG : rot 26:sc= -0.211 USER MOD Single : A 46 MET CE :methyl 153:sc= -0.928 (180deg=-2.27!) USER MOD Single : A 62 TYR OH : rot 28:sc= 0.743 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.147 USER MOD Single : A 72 MET CE :methyl -166:sc= -2.45 (180deg=-2.96!) USER MOD Single : A 73 ASN : amide:sc= 0.873 K(o=0.87,f=-0.48) USER MOD Single : A 77 HIS : no HD1:sc= -1.47 K(o=-1.5,f=-6.8!) USER MOD Single : A 78 LYS NZ :NH3+ -144:sc= -2.77! (180deg=-5.36!) USER MOD Single : A 87 LYS NZ :NH3+ 162:sc= 0.184 (180deg=0.0848) USER MOD ----------------------------------------------------------------- ATOM 148 N GLU A 11 -5.023 -18.244 -3.436 1.00 63.32 N ATOM 149 CA GLU A 11 -5.945 -18.109 -4.560 1.00 22.34 C ATOM 150 C GLU A 11 -6.328 -19.485 -5.084 1.00 12.32 C ATOM 151 O GLU A 11 -7.480 -19.740 -5.421 1.00 71.12 O ATOM 152 CB GLU A 11 -5.275 -17.296 -5.674 1.00 45.04 C ATOM 153 CG GLU A 11 -6.099 -17.159 -6.946 1.00 75.43 C ATOM 154 CD GLU A 11 -7.194 -16.124 -6.836 1.00 62.14 C ATOM 155 OE1 GLU A 11 -8.360 -16.459 -7.113 1.00 2.02 O ATOM 156 OE2 GLU A 11 -6.888 -14.965 -6.491 1.00 25.34 O ATOM 0 HA GLU A 11 -6.846 -17.594 -4.228 1.00 22.34 H new ATOM 0 HB2 GLU A 11 -5.051 -16.299 -5.293 1.00 45.04 H new ATOM 0 HB3 GLU A 11 -4.322 -17.763 -5.923 1.00 45.04 H new ATOM 0 HG2 GLU A 11 -5.439 -16.894 -7.772 1.00 75.43 H new ATOM 0 HG3 GLU A 11 -6.543 -18.124 -7.189 1.00 75.43 H new ATOM 163 N GLN A 12 -5.334 -20.365 -5.113 1.00 41.51 N ATOM 164 CA GLN A 12 -5.493 -21.735 -5.577 1.00 4.15 C ATOM 165 C GLN A 12 -6.703 -22.424 -4.950 1.00 34.21 C ATOM 166 O GLN A 12 -7.641 -22.800 -5.648 1.00 0.55 O ATOM 167 CB GLN A 12 -4.223 -22.522 -5.249 1.00 73.12 C ATOM 168 CG GLN A 12 -4.315 -24.007 -5.546 1.00 24.14 C ATOM 169 CD GLN A 12 -3.064 -24.750 -5.128 1.00 41.53 C ATOM 170 OE1 GLN A 12 -2.390 -24.364 -4.170 1.00 62.11 O ATOM 171 NE2 GLN A 12 -2.744 -25.815 -5.842 1.00 23.42 N ATOM 0 H GLN A 12 -4.385 -20.143 -4.811 1.00 41.51 H new ATOM 0 HA GLN A 12 -5.661 -21.707 -6.654 1.00 4.15 H new ATOM 0 HB2 GLN A 12 -3.392 -22.101 -5.815 1.00 73.12 H new ATOM 0 HB3 GLN A 12 -3.989 -22.388 -4.193 1.00 73.12 H new ATOM 0 HG2 GLN A 12 -5.176 -24.427 -5.027 1.00 24.14 H new ATOM 0 HG3 GLN A 12 -4.483 -24.153 -6.613 1.00 24.14 H new ATOM 0 HE21 GLN A 12 -3.331 -26.098 -6.627 1.00 23.42 H new ATOM 0 HE22 GLN A 12 -1.910 -26.354 -5.608 1.00 23.42 H new ATOM 180 N LEU A 13 -6.696 -22.568 -3.633 1.00 51.11 N ATOM 181 CA LEU A 13 -7.698 -23.393 -2.977 1.00 70.22 C ATOM 182 C LEU A 13 -8.958 -22.593 -2.651 1.00 73.01 C ATOM 183 O LEU A 13 -9.924 -23.137 -2.111 1.00 54.21 O ATOM 184 CB LEU A 13 -7.111 -24.061 -1.723 1.00 61.13 C ATOM 185 CG LEU A 13 -7.425 -23.396 -0.379 1.00 64.24 C ATOM 186 CD1 LEU A 13 -7.020 -24.307 0.767 1.00 64.32 C ATOM 187 CD2 LEU A 13 -6.718 -22.062 -0.258 1.00 65.43 C ATOM 0 H LEU A 13 -6.019 -22.132 -3.007 1.00 51.11 H new ATOM 0 HA LEU A 13 -7.993 -24.180 -3.670 1.00 70.22 H new ATOM 0 HB2 LEU A 13 -7.470 -25.090 -1.686 1.00 61.13 H new ATOM 0 HB3 LEU A 13 -6.028 -24.105 -1.836 1.00 61.13 H new ATOM 0 HG LEU A 13 -8.500 -23.221 -0.330 1.00 64.24 H new ATOM 0 HD11 LEU A 13 -7.249 -23.822 1.716 1.00 64.32 H new ATOM 0 HD12 LEU A 13 -7.570 -25.246 0.697 1.00 64.32 H new ATOM 0 HD13 LEU A 13 -5.950 -24.508 0.711 1.00 64.32 H new ATOM 0 HD21 LEU A 13 -6.957 -21.610 0.705 1.00 65.43 H new ATOM 0 HD22 LEU A 13 -5.641 -22.213 -0.331 1.00 65.43 H new ATOM 0 HD23 LEU A 13 -7.047 -21.402 -1.061 1.00 65.43 H new ATOM 199 N ARG A 14 -8.949 -21.304 -2.975 1.00 53.41 N ATOM 200 CA ARG A 14 -10.147 -20.483 -2.830 1.00 51.14 C ATOM 201 C ARG A 14 -10.851 -20.334 -4.166 1.00 62.20 C ATOM 202 O ARG A 14 -12.005 -19.901 -4.227 1.00 50.15 O ATOM 203 CB ARG A 14 -9.831 -19.099 -2.262 1.00 71.23 C ATOM 204 CG ARG A 14 -9.465 -19.112 -0.793 1.00 35.44 C ATOM 205 CD ARG A 14 -9.600 -17.726 -0.180 1.00 33.14 C ATOM 206 NE ARG A 14 -8.649 -16.767 -0.737 1.00 62.23 N ATOM 207 CZ ARG A 14 -8.668 -15.462 -0.468 1.00 75.35 C ATOM 208 NH1 ARG A 14 -9.592 -14.955 0.336 1.00 40.43 N ATOM 209 NH2 ARG A 14 -7.761 -14.660 -1.001 1.00 55.24 N ATOM 0 H ARG A 14 -8.134 -20.808 -3.336 1.00 53.41 H new ATOM 0 HA ARG A 14 -10.801 -20.995 -2.124 1.00 51.14 H new ATOM 0 HB2 ARG A 14 -9.008 -18.663 -2.828 1.00 71.23 H new ATOM 0 HB3 ARG A 14 -10.696 -18.451 -2.406 1.00 71.23 H new ATOM 0 HG2 ARG A 14 -10.109 -19.812 -0.261 1.00 35.44 H new ATOM 0 HG3 ARG A 14 -8.441 -19.467 -0.674 1.00 35.44 H new ATOM 0 HD2 ARG A 14 -10.614 -17.360 -0.340 1.00 33.14 H new ATOM 0 HD3 ARG A 14 -9.452 -17.794 0.898 1.00 33.14 H new ATOM 0 HE ARG A 14 -7.928 -17.117 -1.369 1.00 62.23 H new ATOM 0 HH11 ARG A 14 -10.295 -15.565 0.754 1.00 40.43 H new ATOM 0 HH12 ARG A 14 -9.600 -13.955 0.537 1.00 40.43 H new ATOM 0 HH21 ARG A 14 -7.045 -15.040 -1.620 1.00 55.24 H new ATOM 0 HH22 ARG A 14 -7.778 -13.662 -0.793 1.00 55.24 H new ATOM 223 N LYS A 15 -10.154 -20.680 -5.235 1.00 25.33 N ATOM 224 CA LYS A 15 -10.740 -20.639 -6.558 1.00 60.10 C ATOM 225 C LYS A 15 -11.403 -21.975 -6.868 1.00 34.33 C ATOM 226 O LYS A 15 -10.899 -23.043 -6.507 1.00 21.03 O ATOM 227 CB LYS A 15 -9.690 -20.301 -7.622 1.00 34.01 C ATOM 228 CG LYS A 15 -10.291 -19.964 -8.982 1.00 23.23 C ATOM 229 CD LYS A 15 -9.219 -19.686 -10.027 1.00 44.21 C ATOM 230 CE LYS A 15 -8.366 -18.479 -9.672 1.00 32.41 C ATOM 231 NZ LYS A 15 -9.154 -17.214 -9.633 1.00 61.53 N ATOM 0 H LYS A 15 -9.183 -20.992 -5.210 1.00 25.33 H new ATOM 0 HA LYS A 15 -11.493 -19.851 -6.577 1.00 60.10 H new ATOM 0 HB2 LYS A 15 -9.094 -19.456 -7.277 1.00 34.01 H new ATOM 0 HB3 LYS A 15 -9.011 -21.146 -7.733 1.00 34.01 H new ATOM 0 HG2 LYS A 15 -10.917 -20.791 -9.316 1.00 23.23 H new ATOM 0 HG3 LYS A 15 -10.938 -19.092 -8.886 1.00 23.23 H new ATOM 0 HD2 LYS A 15 -8.579 -20.562 -10.130 1.00 44.21 H new ATOM 0 HD3 LYS A 15 -9.692 -19.521 -10.995 1.00 44.21 H new ATOM 0 HE2 LYS A 15 -7.898 -18.642 -8.701 1.00 32.41 H new ATOM 0 HE3 LYS A 15 -7.562 -18.380 -10.401 1.00 32.41 H new ATOM 0 HZ1 LYS A 15 -8.566 -16.451 -9.241 1.00 61.53 H new ATOM 0 HZ2 LYS A 15 -9.452 -16.961 -10.597 1.00 61.53 H new ATOM 0 HZ3 LYS A 15 -9.994 -17.347 -9.034 1.00 61.53 H new ATOM 245 N LEU A 16 -12.545 -21.900 -7.510 1.00 5.21 N ATOM 246 CA LEU A 16 -13.312 -23.069 -7.872 1.00 23.32 C ATOM 247 C LEU A 16 -13.264 -23.260 -9.381 1.00 72.21 C ATOM 248 O LEU A 16 -13.488 -22.315 -10.142 1.00 63.01 O ATOM 249 CB LEU A 16 -14.755 -22.869 -7.410 1.00 20.15 C ATOM 250 CG LEU A 16 -15.511 -24.125 -6.993 1.00 65.22 C ATOM 251 CD1 LEU A 16 -14.718 -24.904 -5.963 1.00 10.33 C ATOM 252 CD2 LEU A 16 -16.875 -23.748 -6.433 1.00 20.43 C ATOM 0 H LEU A 16 -12.971 -21.019 -7.798 1.00 5.21 H new ATOM 0 HA LEU A 16 -12.896 -23.956 -7.394 1.00 23.32 H new ATOM 0 HB2 LEU A 16 -14.752 -22.176 -6.568 1.00 20.15 H new ATOM 0 HB3 LEU A 16 -15.309 -22.388 -8.216 1.00 20.15 H new ATOM 0 HG LEU A 16 -15.650 -24.757 -7.870 1.00 65.22 H new ATOM 0 HD11 LEU A 16 -15.273 -25.798 -5.677 1.00 10.33 H new ATOM 0 HD12 LEU A 16 -13.757 -25.194 -6.387 1.00 10.33 H new ATOM 0 HD13 LEU A 16 -14.554 -24.282 -5.083 1.00 10.33 H new ATOM 0 HD21 LEU A 16 -17.409 -24.651 -6.137 1.00 20.43 H new ATOM 0 HD22 LEU A 16 -16.746 -23.102 -5.565 1.00 20.43 H new ATOM 0 HD23 LEU A 16 -17.448 -23.221 -7.195 1.00 20.43 H new ATOM 264 N PHE A 17 -12.947 -24.470 -9.804 1.00 13.21 N ATOM 265 CA PHE A 17 -12.914 -24.806 -11.215 1.00 11.52 C ATOM 266 C PHE A 17 -14.309 -25.182 -11.670 1.00 62.24 C ATOM 267 O PHE A 17 -14.862 -26.187 -11.220 1.00 55.40 O ATOM 268 CB PHE A 17 -11.953 -25.970 -11.456 1.00 41.11 C ATOM 269 CG PHE A 17 -11.826 -26.367 -12.900 1.00 22.45 C ATOM 270 CD1 PHE A 17 -11.977 -27.687 -13.282 1.00 3.02 C ATOM 271 CD2 PHE A 17 -11.557 -25.422 -13.872 1.00 1.45 C ATOM 272 CE1 PHE A 17 -11.857 -28.058 -14.603 1.00 72.34 C ATOM 273 CE2 PHE A 17 -11.438 -25.786 -15.198 1.00 33.25 C ATOM 274 CZ PHE A 17 -11.587 -27.105 -15.565 1.00 15.21 C ATOM 0 H PHE A 17 -12.707 -25.243 -9.183 1.00 13.21 H new ATOM 0 HA PHE A 17 -12.565 -23.945 -11.785 1.00 11.52 H new ATOM 0 HB2 PHE A 17 -10.968 -25.699 -11.076 1.00 41.11 H new ATOM 0 HB3 PHE A 17 -12.291 -26.832 -10.881 1.00 41.11 H new ATOM 0 HD1 PHE A 17 -12.192 -28.437 -12.535 1.00 3.02 H new ATOM 0 HD2 PHE A 17 -11.438 -24.386 -13.591 1.00 1.45 H new ATOM 0 HE1 PHE A 17 -11.974 -29.094 -14.886 1.00 72.34 H new ATOM 0 HE2 PHE A 17 -11.228 -25.037 -15.947 1.00 33.25 H new ATOM 0 HZ PHE A 17 -11.493 -27.393 -16.602 1.00 15.21 H new ATOM 284 N ILE A 18 -14.884 -24.370 -12.540 1.00 72.45 N ATOM 285 CA ILE A 18 -16.244 -24.589 -12.992 1.00 40.41 C ATOM 286 C ILE A 18 -16.252 -25.086 -14.422 1.00 32.21 C ATOM 287 O ILE A 18 -16.142 -24.300 -15.361 1.00 70.02 O ATOM 288 CB ILE A 18 -17.091 -23.304 -12.905 1.00 54.51 C ATOM 289 CG1 ILE A 18 -16.908 -22.634 -11.542 1.00 43.10 C ATOM 290 CG2 ILE A 18 -18.558 -23.620 -13.156 1.00 45.44 C ATOM 291 CD1 ILE A 18 -17.132 -23.564 -10.371 1.00 61.11 C ATOM 0 H ILE A 18 -14.429 -23.553 -12.947 1.00 72.45 H new ATOM 0 HA ILE A 18 -16.682 -25.339 -12.333 1.00 40.41 H new ATOM 0 HB ILE A 18 -16.752 -22.611 -13.675 1.00 54.51 H new ATOM 0 HG12 ILE A 18 -15.900 -22.224 -11.481 1.00 43.10 H new ATOM 0 HG13 ILE A 18 -17.598 -21.794 -11.465 1.00 43.10 H new ATOM 0 HG21 ILE A 18 -19.144 -22.703 -13.091 1.00 45.44 H new ATOM 0 HG22 ILE A 18 -18.672 -24.054 -14.149 1.00 45.44 H new ATOM 0 HG23 ILE A 18 -18.911 -24.329 -12.407 1.00 45.44 H new ATOM 0 HD11 ILE A 18 -16.985 -23.018 -9.439 1.00 61.11 H new ATOM 0 HD12 ILE A 18 -18.149 -23.954 -10.406 1.00 61.11 H new ATOM 0 HD13 ILE A 18 -16.424 -24.391 -10.423 1.00 61.11 H new ATOM 303 N GLY A 19 -16.373 -26.386 -14.588 1.00 1.44 N ATOM 304 CA GLY A 19 -16.381 -26.952 -15.913 1.00 40.13 C ATOM 305 C GLY A 19 -17.699 -27.611 -16.232 1.00 24.40 C ATOM 306 O GLY A 19 -18.355 -28.161 -15.344 1.00 41.04 O ATOM 0 H GLY A 19 -16.466 -27.061 -13.829 1.00 1.44 H new ATOM 0 HA2 GLY A 19 -16.180 -26.169 -16.644 1.00 40.13 H new ATOM 0 HA3 GLY A 19 -15.578 -27.684 -16.001 1.00 40.13 H new ATOM 310 N GLY A 20 -18.094 -27.547 -17.493 1.00 22.50 N ATOM 311 CA GLY A 20 -19.333 -28.166 -17.908 1.00 32.33 C ATOM 312 C GLY A 20 -20.487 -27.188 -17.912 1.00 32.54 C ATOM 313 O GLY A 20 -21.602 -27.533 -17.527 1.00 74.43 O ATOM 0 H GLY A 20 -17.578 -27.077 -18.237 1.00 22.50 H new ATOM 0 HA2 GLY A 20 -19.211 -28.585 -18.907 1.00 32.33 H new ATOM 0 HA3 GLY A 20 -19.564 -28.996 -17.240 1.00 32.33 H new ATOM 317 N LEU A 21 -20.219 -25.963 -18.338 1.00 13.01 N ATOM 318 CA LEU A 21 -21.256 -24.951 -18.432 1.00 1.33 C ATOM 319 C LEU A 21 -21.542 -24.617 -19.891 1.00 11.13 C ATOM 320 O LEU A 21 -20.806 -25.034 -20.788 1.00 65.11 O ATOM 321 CB LEU A 21 -20.877 -23.698 -17.623 1.00 44.00 C ATOM 322 CG LEU A 21 -19.465 -23.145 -17.845 1.00 2.12 C ATOM 323 CD1 LEU A 21 -19.409 -22.258 -19.077 1.00 2.32 C ATOM 324 CD2 LEU A 21 -19.001 -22.379 -16.617 1.00 74.40 C ATOM 0 H LEU A 21 -19.292 -25.647 -18.624 1.00 13.01 H new ATOM 0 HA LEU A 21 -22.172 -25.350 -17.997 1.00 1.33 H new ATOM 0 HB2 LEU A 21 -21.593 -22.910 -17.857 1.00 44.00 H new ATOM 0 HB3 LEU A 21 -20.991 -23.928 -16.564 1.00 44.00 H new ATOM 0 HG LEU A 21 -18.794 -23.988 -18.009 1.00 2.12 H new ATOM 0 HD11 LEU A 21 -18.395 -21.881 -19.208 1.00 2.32 H new ATOM 0 HD12 LEU A 21 -19.697 -22.836 -19.955 1.00 2.32 H new ATOM 0 HD13 LEU A 21 -20.095 -21.420 -18.953 1.00 2.32 H new ATOM 0 HD21 LEU A 21 -17.997 -21.992 -16.788 1.00 74.40 H new ATOM 0 HD22 LEU A 21 -19.682 -21.550 -16.426 1.00 74.40 H new ATOM 0 HD23 LEU A 21 -18.991 -23.046 -15.755 1.00 74.40 H new ATOM 336 N SER A 22 -22.608 -23.872 -20.122 1.00 4.15 N ATOM 337 CA SER A 22 -23.060 -23.582 -21.470 1.00 62.13 C ATOM 338 C SER A 22 -22.270 -22.425 -22.074 1.00 24.50 C ATOM 339 O SER A 22 -21.536 -21.727 -21.374 1.00 42.22 O ATOM 340 CB SER A 22 -24.549 -23.236 -21.441 1.00 11.12 C ATOM 341 OG SER A 22 -24.793 -22.151 -20.562 1.00 52.10 O ATOM 0 H SER A 22 -23.180 -23.455 -19.388 1.00 4.15 H new ATOM 0 HA SER A 22 -22.898 -24.464 -22.090 1.00 62.13 H new ATOM 0 HB2 SER A 22 -24.888 -22.981 -22.445 1.00 11.12 H new ATOM 0 HB3 SER A 22 -25.124 -24.106 -21.122 1.00 11.12 H new ATOM 0 HG SER A 22 -25.752 -22.096 -20.369 1.00 52.10 H new ATOM 347 N PHE A 23 -22.446 -22.205 -23.369 1.00 21.42 N ATOM 348 CA PHE A 23 -21.832 -21.067 -24.038 1.00 1.30 C ATOM 349 C PHE A 23 -22.680 -19.832 -23.792 1.00 45.11 C ATOM 350 O PHE A 23 -22.364 -18.729 -24.235 1.00 51.33 O ATOM 351 CB PHE A 23 -21.677 -21.339 -25.534 1.00 44.43 C ATOM 352 CG PHE A 23 -20.861 -22.566 -25.823 1.00 61.41 C ATOM 353 CD1 PHE A 23 -21.473 -23.745 -26.215 1.00 50.33 C ATOM 354 CD2 PHE A 23 -19.482 -22.545 -25.686 1.00 3.31 C ATOM 355 CE1 PHE A 23 -20.727 -24.878 -26.466 1.00 61.05 C ATOM 356 CE2 PHE A 23 -18.729 -23.676 -25.938 1.00 72.24 C ATOM 357 CZ PHE A 23 -19.354 -24.845 -26.329 1.00 23.04 C ATOM 0 H PHE A 23 -23.009 -22.799 -23.977 1.00 21.42 H new ATOM 0 HA PHE A 23 -20.834 -20.901 -23.632 1.00 1.30 H new ATOM 0 HB2 PHE A 23 -22.664 -21.452 -25.982 1.00 44.43 H new ATOM 0 HB3 PHE A 23 -21.208 -20.477 -26.008 1.00 44.43 H new ATOM 0 HD1 PHE A 23 -22.547 -23.778 -26.325 1.00 50.33 H new ATOM 0 HD2 PHE A 23 -18.990 -21.634 -25.379 1.00 3.31 H new ATOM 0 HE1 PHE A 23 -21.217 -25.791 -26.770 1.00 61.05 H new ATOM 0 HE2 PHE A 23 -17.655 -23.646 -25.830 1.00 72.24 H new ATOM 0 HZ PHE A 23 -18.769 -25.731 -26.527 1.00 23.04 H new ATOM 367 N GLU A 24 -23.750 -20.050 -23.050 1.00 54.41 N ATOM 368 CA GLU A 24 -24.676 -19.008 -22.672 1.00 3.13 C ATOM 369 C GLU A 24 -24.337 -18.527 -21.269 1.00 40.33 C ATOM 370 O GLU A 24 -24.853 -17.512 -20.793 1.00 3.04 O ATOM 371 CB GLU A 24 -26.084 -19.581 -22.738 1.00 43.43 C ATOM 372 CG GLU A 24 -26.310 -20.369 -24.016 1.00 63.20 C ATOM 373 CD GLU A 24 -27.564 -21.213 -23.989 1.00 50.33 C ATOM 374 OE1 GLU A 24 -27.458 -22.441 -24.205 1.00 73.10 O ATOM 375 OE2 GLU A 24 -28.654 -20.662 -23.748 1.00 51.00 O ATOM 0 H GLU A 24 -24.000 -20.971 -22.690 1.00 54.41 H new ATOM 0 HA GLU A 24 -24.609 -18.154 -23.346 1.00 3.13 H new ATOM 0 HB2 GLU A 24 -26.255 -20.227 -21.877 1.00 43.43 H new ATOM 0 HB3 GLU A 24 -26.810 -18.770 -22.677 1.00 43.43 H new ATOM 0 HG2 GLU A 24 -26.366 -19.676 -24.856 1.00 63.20 H new ATOM 0 HG3 GLU A 24 -25.450 -21.015 -24.192 1.00 63.20 H new ATOM 382 N THR A 25 -23.450 -19.270 -20.621 1.00 54.23 N ATOM 383 CA THR A 25 -22.941 -18.900 -19.318 1.00 34.54 C ATOM 384 C THR A 25 -21.915 -17.776 -19.457 1.00 0.42 C ATOM 385 O THR A 25 -20.752 -18.020 -19.778 1.00 54.24 O ATOM 386 CB THR A 25 -22.285 -20.106 -18.615 1.00 53.50 C ATOM 387 OG1 THR A 25 -23.217 -21.195 -18.527 1.00 73.01 O ATOM 388 CG2 THR A 25 -21.809 -19.731 -17.218 1.00 72.42 C ATOM 0 H THR A 25 -23.068 -20.142 -20.987 1.00 54.23 H new ATOM 0 HA THR A 25 -23.782 -18.559 -18.714 1.00 34.54 H new ATOM 0 HB THR A 25 -21.422 -20.412 -19.207 1.00 53.50 H new ATOM 0 HG1 THR A 25 -23.590 -21.379 -19.414 1.00 73.01 H new ATOM 0 HG21 THR A 25 -21.351 -20.599 -16.745 1.00 72.42 H new ATOM 0 HG22 THR A 25 -21.077 -18.926 -17.287 1.00 72.42 H new ATOM 0 HG23 THR A 25 -22.658 -19.399 -16.621 1.00 72.42 H new ATOM 396 N THR A 26 -22.362 -16.547 -19.254 1.00 32.32 N ATOM 397 CA THR A 26 -21.478 -15.400 -19.336 1.00 4.13 C ATOM 398 C THR A 26 -20.949 -15.043 -17.949 1.00 60.22 C ATOM 399 O THR A 26 -21.461 -15.533 -16.941 1.00 64.21 O ATOM 400 CB THR A 26 -22.182 -14.187 -19.993 1.00 65.14 C ATOM 401 OG1 THR A 26 -21.303 -13.054 -20.048 1.00 4.24 O ATOM 402 CG2 THR A 26 -23.450 -13.813 -19.245 1.00 62.23 C ATOM 0 H THR A 26 -23.331 -16.320 -19.032 1.00 32.32 H new ATOM 0 HA THR A 26 -20.634 -15.666 -19.972 1.00 4.13 H new ATOM 0 HB THR A 26 -22.451 -14.479 -21.008 1.00 65.14 H new ATOM 0 HG1 THR A 26 -21.767 -12.300 -20.468 1.00 4.24 H new ATOM 0 HG21 THR A 26 -23.920 -12.958 -19.731 1.00 62.23 H new ATOM 0 HG22 THR A 26 -24.138 -14.658 -19.251 1.00 62.23 H new ATOM 0 HG23 THR A 26 -23.202 -13.554 -18.216 1.00 62.23 H new ATOM 410 N ASP A 27 -19.920 -14.201 -17.916 1.00 73.33 N ATOM 411 CA ASP A 27 -19.223 -13.840 -16.681 1.00 11.42 C ATOM 412 C ASP A 27 -20.193 -13.419 -15.583 1.00 64.33 C ATOM 413 O ASP A 27 -20.141 -13.931 -14.460 1.00 53.11 O ATOM 414 CB ASP A 27 -18.237 -12.707 -16.971 1.00 63.14 C ATOM 415 CG ASP A 27 -17.451 -12.277 -15.755 1.00 64.13 C ATOM 416 OD1 ASP A 27 -16.358 -12.830 -15.534 1.00 42.32 O ATOM 417 OD2 ASP A 27 -17.912 -11.366 -15.036 1.00 52.50 O ATOM 0 H ASP A 27 -19.543 -13.747 -18.748 1.00 73.33 H new ATOM 0 HA ASP A 27 -18.688 -14.720 -16.323 1.00 11.42 H new ATOM 0 HB2 ASP A 27 -17.544 -13.027 -17.749 1.00 63.14 H new ATOM 0 HB3 ASP A 27 -18.784 -11.850 -17.364 1.00 63.14 H new ATOM 422 N GLU A 28 -21.093 -12.508 -15.920 1.00 11.35 N ATOM 423 CA GLU A 28 -22.068 -12.001 -14.964 1.00 52.44 C ATOM 424 C GLU A 28 -22.995 -13.106 -14.475 1.00 14.01 C ATOM 425 O GLU A 28 -23.352 -13.148 -13.296 1.00 15.22 O ATOM 426 CB GLU A 28 -22.876 -10.867 -15.589 1.00 65.24 C ATOM 427 CG GLU A 28 -23.635 -11.273 -16.839 1.00 40.12 C ATOM 428 CD GLU A 28 -24.446 -10.138 -17.418 1.00 42.54 C ATOM 429 OE1 GLU A 28 -23.954 -9.465 -18.346 1.00 75.31 O ATOM 430 OE2 GLU A 28 -25.579 -9.912 -16.943 1.00 21.30 O ATOM 0 H GLU A 28 -21.169 -12.102 -16.853 1.00 11.35 H new ATOM 0 HA GLU A 28 -21.525 -11.618 -14.100 1.00 52.44 H new ATOM 0 HB2 GLU A 28 -23.584 -10.489 -14.852 1.00 65.24 H new ATOM 0 HB3 GLU A 28 -22.203 -10.046 -15.835 1.00 65.24 H new ATOM 0 HG2 GLU A 28 -22.929 -11.630 -17.589 1.00 40.12 H new ATOM 0 HG3 GLU A 28 -24.298 -12.106 -16.603 1.00 40.12 H new ATOM 437 N SER A 29 -23.370 -14.014 -15.368 1.00 42.04 N ATOM 438 CA SER A 29 -24.259 -15.099 -15.004 1.00 1.13 C ATOM 439 C SER A 29 -23.530 -16.087 -14.108 1.00 51.12 C ATOM 440 O SER A 29 -24.113 -16.643 -13.180 1.00 43.24 O ATOM 441 CB SER A 29 -24.785 -15.804 -16.254 1.00 32.21 C ATOM 442 OG SER A 29 -25.407 -14.879 -17.129 1.00 3.23 O ATOM 0 H SER A 29 -23.072 -14.017 -16.343 1.00 42.04 H new ATOM 0 HA SER A 29 -25.109 -14.688 -14.460 1.00 1.13 H new ATOM 0 HB2 SER A 29 -23.964 -16.303 -16.769 1.00 32.21 H new ATOM 0 HB3 SER A 29 -25.498 -16.577 -15.968 1.00 32.21 H new ATOM 0 HG SER A 29 -25.735 -15.350 -17.923 1.00 3.23 H new ATOM 448 N LEU A 30 -22.238 -16.264 -14.364 1.00 2.43 N ATOM 449 CA LEU A 30 -21.435 -17.199 -13.591 1.00 40.15 C ATOM 450 C LEU A 30 -21.418 -16.787 -12.131 1.00 21.54 C ATOM 451 O LEU A 30 -21.767 -17.572 -11.250 1.00 14.41 O ATOM 452 CB LEU A 30 -20.000 -17.265 -14.113 1.00 32.40 C ATOM 453 CG LEU A 30 -19.111 -18.298 -13.414 1.00 75.14 C ATOM 454 CD1 LEU A 30 -19.532 -19.710 -13.793 1.00 24.43 C ATOM 455 CD2 LEU A 30 -17.647 -18.066 -13.747 1.00 1.24 C ATOM 0 H LEU A 30 -21.728 -15.773 -15.098 1.00 2.43 H new ATOM 0 HA LEU A 30 -21.886 -18.186 -13.692 1.00 40.15 H new ATOM 0 HB2 LEU A 30 -20.026 -17.490 -15.179 1.00 32.40 H new ATOM 0 HB3 LEU A 30 -19.543 -16.281 -14.006 1.00 32.40 H new ATOM 0 HG LEU A 30 -19.235 -18.180 -12.337 1.00 75.14 H new ATOM 0 HD11 LEU A 30 -18.889 -20.430 -13.287 1.00 24.43 H new ATOM 0 HD12 LEU A 30 -20.567 -19.874 -13.493 1.00 24.43 H new ATOM 0 HD13 LEU A 30 -19.442 -19.839 -14.872 1.00 24.43 H new ATOM 0 HD21 LEU A 30 -17.036 -18.812 -13.239 1.00 1.24 H new ATOM 0 HD22 LEU A 30 -17.501 -18.150 -14.824 1.00 1.24 H new ATOM 0 HD23 LEU A 30 -17.352 -17.070 -13.417 1.00 1.24 H new ATOM 467 N ARG A 31 -21.041 -15.540 -11.878 1.00 24.31 N ATOM 468 CA ARG A 31 -20.949 -15.054 -10.515 1.00 5.15 C ATOM 469 C ARG A 31 -22.328 -15.062 -9.864 1.00 23.21 C ATOM 470 O ARG A 31 -22.463 -15.422 -8.705 1.00 45.25 O ATOM 471 CB ARG A 31 -20.315 -13.654 -10.460 1.00 74.11 C ATOM 472 CG ARG A 31 -21.309 -12.507 -10.442 1.00 40.31 C ATOM 473 CD ARG A 31 -20.615 -11.161 -10.538 1.00 10.14 C ATOM 474 NE ARG A 31 -21.574 -10.058 -10.546 1.00 53.45 N ATOM 475 CZ ARG A 31 -21.735 -9.201 -9.539 1.00 62.11 C ATOM 476 NH1 ARG A 31 -20.973 -9.288 -8.456 1.00 43.32 N ATOM 477 NH2 ARG A 31 -22.647 -8.243 -9.630 1.00 45.12 N ATOM 0 H ARG A 31 -20.797 -14.856 -12.594 1.00 24.31 H new ATOM 0 HA ARG A 31 -20.297 -15.723 -9.954 1.00 5.15 H new ATOM 0 HB2 ARG A 31 -19.689 -13.588 -9.570 1.00 74.11 H new ATOM 0 HB3 ARG A 31 -19.658 -13.534 -11.321 1.00 74.11 H new ATOM 0 HG2 ARG A 31 -22.006 -12.617 -11.272 1.00 40.31 H new ATOM 0 HG3 ARG A 31 -21.896 -12.549 -9.525 1.00 40.31 H new ATOM 0 HD2 ARG A 31 -19.932 -11.043 -9.697 1.00 10.14 H new ATOM 0 HD3 ARG A 31 -20.012 -11.126 -11.446 1.00 10.14 H new ATOM 0 HE ARG A 31 -22.156 -9.937 -11.375 1.00 53.45 H new ATOM 0 HH11 ARG A 31 -20.259 -10.014 -8.392 1.00 43.32 H new ATOM 0 HH12 ARG A 31 -21.101 -8.629 -7.688 1.00 43.32 H new ATOM 0 HH21 ARG A 31 -23.222 -8.164 -10.469 1.00 45.12 H new ATOM 0 HH22 ARG A 31 -22.774 -7.585 -8.861 1.00 45.12 H new ATOM 491 N SER A 32 -23.358 -14.721 -10.630 1.00 73.30 N ATOM 492 CA SER A 32 -24.711 -14.663 -10.092 1.00 2.21 C ATOM 493 C SER A 32 -25.202 -16.044 -9.655 1.00 11.24 C ATOM 494 O SER A 32 -26.036 -16.161 -8.759 1.00 32.13 O ATOM 495 CB SER A 32 -25.666 -14.057 -11.121 1.00 13.14 C ATOM 496 OG SER A 32 -25.247 -12.751 -11.491 1.00 71.24 O ATOM 0 H SER A 32 -23.283 -14.482 -11.619 1.00 73.30 H new ATOM 0 HA SER A 32 -24.691 -14.025 -9.209 1.00 2.21 H new ATOM 0 HB2 SER A 32 -25.708 -14.694 -12.004 1.00 13.14 H new ATOM 0 HB3 SER A 32 -26.674 -14.017 -10.709 1.00 13.14 H new ATOM 0 HG SER A 32 -24.777 -12.789 -12.350 1.00 71.24 H new ATOM 502 N HIS A 33 -24.671 -17.092 -10.269 1.00 54.11 N ATOM 503 CA HIS A 33 -25.048 -18.445 -9.896 1.00 40.32 C ATOM 504 C HIS A 33 -24.133 -19.002 -8.811 1.00 24.34 C ATOM 505 O HIS A 33 -24.419 -20.046 -8.239 1.00 14.44 O ATOM 506 CB HIS A 33 -25.053 -19.378 -11.110 1.00 14.33 C ATOM 507 CG HIS A 33 -26.248 -19.206 -12.002 1.00 45.20 C ATOM 508 ND1 HIS A 33 -26.369 -18.518 -13.161 1.00 61.13 N flip ATOM 509 CD2 HIS A 33 -27.454 -19.791 -11.702 1.00 0.54 C flip ATOM 510 CE1 HIS A 33 -27.663 -18.675 -13.586 1.00 41.54 C flip ATOM 511 NE2 HIS A 33 -28.275 -19.445 -12.678 1.00 4.43 N flip ATOM 0 H HIS A 33 -23.984 -17.031 -11.021 1.00 54.11 H new ATOM 0 HA HIS A 33 -26.061 -18.393 -9.496 1.00 40.32 H new ATOM 0 HB2 HIS A 33 -24.148 -19.205 -11.693 1.00 14.33 H new ATOM 0 HB3 HIS A 33 -25.016 -20.411 -10.763 1.00 14.33 H new ATOM 0 HD1 HIS A 33 -25.637 -17.984 -13.629 1.00 61.13 H new ATOM 0 HD2 HIS A 33 -27.684 -20.407 -10.845 1.00 0.54 H new ATOM 0 HE1 HIS A 33 -28.103 -18.258 -14.480 1.00 41.54 H new ATOM 519 N PHE A 34 -23.042 -18.311 -8.512 1.00 21.34 N ATOM 520 CA PHE A 34 -22.112 -18.791 -7.495 1.00 42.32 C ATOM 521 C PHE A 34 -22.081 -17.899 -6.258 1.00 4.12 C ATOM 522 O PHE A 34 -21.674 -18.345 -5.187 1.00 3.33 O ATOM 523 CB PHE A 34 -20.708 -18.959 -8.075 1.00 11.13 C ATOM 524 CG PHE A 34 -20.555 -20.236 -8.848 1.00 63.25 C ATOM 525 CD1 PHE A 34 -20.250 -21.417 -8.193 1.00 52.52 C ATOM 526 CD2 PHE A 34 -20.737 -20.262 -10.218 1.00 21.03 C ATOM 527 CE1 PHE A 34 -20.129 -22.600 -8.891 1.00 21.43 C ATOM 528 CE2 PHE A 34 -20.614 -21.441 -10.923 1.00 74.41 C ATOM 529 CZ PHE A 34 -20.312 -22.613 -10.258 1.00 41.03 C ATOM 0 H PHE A 34 -22.780 -17.428 -8.951 1.00 21.34 H new ATOM 0 HA PHE A 34 -22.478 -19.766 -7.173 1.00 42.32 H new ATOM 0 HB2 PHE A 34 -20.484 -18.114 -8.727 1.00 11.13 H new ATOM 0 HB3 PHE A 34 -19.979 -18.939 -7.265 1.00 11.13 H new ATOM 0 HD1 PHE A 34 -20.105 -21.412 -7.123 1.00 52.52 H new ATOM 0 HD2 PHE A 34 -20.978 -19.349 -10.742 1.00 21.03 H new ATOM 0 HE1 PHE A 34 -19.891 -23.515 -8.368 1.00 21.43 H new ATOM 0 HE2 PHE A 34 -20.754 -21.448 -11.994 1.00 74.41 H new ATOM 0 HZ PHE A 34 -20.219 -23.538 -10.807 1.00 41.03 H new ATOM 539 N GLU A 35 -22.535 -16.655 -6.389 1.00 53.20 N ATOM 540 CA GLU A 35 -22.589 -15.738 -5.248 1.00 44.34 C ATOM 541 C GLU A 35 -23.723 -16.119 -4.302 1.00 62.52 C ATOM 542 O GLU A 35 -23.964 -15.451 -3.297 1.00 24.53 O ATOM 543 CB GLU A 35 -22.771 -14.284 -5.698 1.00 51.34 C ATOM 544 CG GLU A 35 -21.574 -13.694 -6.421 1.00 11.11 C ATOM 545 CD GLU A 35 -21.740 -12.217 -6.707 1.00 43.14 C ATOM 546 OE1 GLU A 35 -20.954 -11.411 -6.159 1.00 31.34 O ATOM 547 OE2 GLU A 35 -22.657 -11.851 -7.467 1.00 75.35 O ATOM 0 H GLU A 35 -22.869 -16.258 -7.267 1.00 53.20 H new ATOM 0 HA GLU A 35 -21.636 -15.822 -4.726 1.00 44.34 H new ATOM 0 HB2 GLU A 35 -23.640 -14.226 -6.353 1.00 51.34 H new ATOM 0 HB3 GLU A 35 -22.990 -13.671 -4.824 1.00 51.34 H new ATOM 0 HG2 GLU A 35 -20.679 -13.846 -5.818 1.00 11.11 H new ATOM 0 HG3 GLU A 35 -21.421 -14.228 -7.359 1.00 11.11 H new ATOM 554 N GLN A 36 -24.406 -17.205 -4.630 1.00 74.40 N ATOM 555 CA GLN A 36 -25.533 -17.669 -3.846 1.00 5.43 C ATOM 556 C GLN A 36 -25.075 -18.316 -2.546 1.00 11.41 C ATOM 557 O GLN A 36 -25.694 -18.128 -1.499 1.00 62.31 O ATOM 558 CB GLN A 36 -26.354 -18.665 -4.651 1.00 62.24 C ATOM 559 CG GLN A 36 -27.112 -18.040 -5.808 1.00 25.24 C ATOM 560 CD GLN A 36 -27.851 -19.067 -6.639 1.00 3.30 C ATOM 561 OE1 GLN A 36 -27.164 -19.629 -7.612 1.00 12.14 O flip ATOM 562 NE2 GLN A 36 -29.017 -19.369 -6.394 1.00 32.24 N flip ATOM 0 H GLN A 36 -24.194 -17.784 -5.442 1.00 74.40 H new ATOM 0 HA GLN A 36 -26.147 -16.803 -3.599 1.00 5.43 H new ATOM 0 HB2 GLN A 36 -25.691 -19.439 -5.039 1.00 62.24 H new ATOM 0 HB3 GLN A 36 -27.064 -19.157 -3.987 1.00 62.24 H new ATOM 0 HG2 GLN A 36 -27.823 -17.311 -5.420 1.00 25.24 H new ATOM 0 HG3 GLN A 36 -26.414 -17.497 -6.445 1.00 25.24 H new ATOM 0 HE21 GLN A 36 -29.513 -18.909 -5.631 1.00 32.24 H new ATOM 0 HE22 GLN A 36 -29.488 -20.079 -6.954 1.00 32.24 H new ATOM 571 N TRP A 37 -23.987 -19.070 -2.618 1.00 41.40 N ATOM 572 CA TRP A 37 -23.491 -19.804 -1.460 1.00 20.31 C ATOM 573 C TRP A 37 -22.284 -19.109 -0.848 1.00 21.35 C ATOM 574 O TRP A 37 -21.678 -19.617 0.095 1.00 71.45 O ATOM 575 CB TRP A 37 -23.130 -21.242 -1.851 1.00 1.44 C ATOM 576 CG TRP A 37 -24.304 -22.036 -2.343 1.00 4.10 C ATOM 577 CD1 TRP A 37 -25.110 -22.851 -1.602 1.00 74.24 C ATOM 578 CD2 TRP A 37 -24.802 -22.096 -3.684 1.00 55.12 C ATOM 579 NE1 TRP A 37 -26.087 -23.398 -2.396 1.00 32.45 N ATOM 580 CE2 TRP A 37 -25.917 -22.954 -3.679 1.00 33.23 C ATOM 581 CE3 TRP A 37 -24.415 -21.504 -4.886 1.00 30.11 C ATOM 582 CZ2 TRP A 37 -26.648 -23.234 -4.830 1.00 13.33 C ATOM 583 CZ3 TRP A 37 -25.139 -21.784 -6.025 1.00 22.44 C ATOM 584 CH2 TRP A 37 -26.244 -22.639 -5.992 1.00 45.22 C ATOM 0 H TRP A 37 -23.431 -19.190 -3.465 1.00 41.40 H new ATOM 0 HA TRP A 37 -24.285 -19.830 -0.714 1.00 20.31 H new ATOM 0 HB2 TRP A 37 -22.365 -21.219 -2.627 1.00 1.44 H new ATOM 0 HB3 TRP A 37 -22.694 -21.747 -0.989 1.00 1.44 H new ATOM 0 HD1 TRP A 37 -24.996 -23.038 -0.545 1.00 74.24 H new ATOM 0 HE1 TRP A 37 -26.821 -24.033 -2.081 1.00 32.45 H new ATOM 0 HE3 TRP A 37 -23.565 -20.839 -4.924 1.00 30.11 H new ATOM 0 HZ2 TRP A 37 -27.501 -23.896 -4.806 1.00 13.33 H new ATOM 0 HZ3 TRP A 37 -24.846 -21.334 -6.962 1.00 22.44 H new ATOM 0 HH2 TRP A 37 -26.790 -22.833 -6.903 1.00 45.22 H new ATOM 595 N GLY A 38 -21.939 -17.945 -1.377 1.00 4.05 N ATOM 596 CA GLY A 38 -20.803 -17.219 -0.847 1.00 44.33 C ATOM 597 C GLY A 38 -20.448 -15.987 -1.652 1.00 51.32 C ATOM 598 O GLY A 38 -21.038 -15.730 -2.697 1.00 2.55 O ATOM 0 H GLY A 38 -22.419 -17.493 -2.156 1.00 4.05 H new ATOM 0 HA2 GLY A 38 -21.017 -16.924 0.180 1.00 44.33 H new ATOM 0 HA3 GLY A 38 -19.940 -17.884 -0.814 1.00 44.33 H new ATOM 602 N THR A 39 -19.477 -15.233 -1.158 1.00 22.42 N ATOM 603 CA THR A 39 -19.035 -14.005 -1.806 1.00 43.42 C ATOM 604 C THR A 39 -17.919 -14.285 -2.808 1.00 52.31 C ATOM 605 O THR A 39 -16.913 -14.891 -2.452 1.00 24.21 O ATOM 606 CB THR A 39 -18.522 -13.000 -0.755 1.00 31.23 C ATOM 607 OG1 THR A 39 -19.570 -12.682 0.168 1.00 60.02 O ATOM 608 CG2 THR A 39 -17.999 -11.726 -1.407 1.00 73.23 C ATOM 0 H THR A 39 -18.974 -15.454 -0.299 1.00 22.42 H new ATOM 0 HA THR A 39 -19.891 -13.584 -2.334 1.00 43.42 H new ATOM 0 HB THR A 39 -17.694 -13.467 -0.221 1.00 31.23 H new ATOM 0 HG1 THR A 39 -19.237 -12.045 0.834 1.00 60.02 H new ATOM 0 HG21 THR A 39 -17.646 -11.041 -0.636 1.00 73.23 H new ATOM 0 HG22 THR A 39 -17.176 -11.972 -2.078 1.00 73.23 H new ATOM 0 HG23 THR A 39 -18.800 -11.252 -1.974 1.00 73.23 H new ATOM 616 N LEU A 40 -18.092 -13.856 -4.057 1.00 50.55 N ATOM 617 CA LEU A 40 -17.043 -14.018 -5.053 1.00 21.11 C ATOM 618 C LEU A 40 -16.184 -12.772 -5.120 1.00 4.11 C ATOM 619 O LEU A 40 -16.627 -11.719 -5.586 1.00 64.14 O ATOM 620 CB LEU A 40 -17.606 -14.311 -6.449 1.00 14.34 C ATOM 621 CG LEU A 40 -18.219 -15.692 -6.669 1.00 24.31 C ATOM 622 CD1 LEU A 40 -19.129 -16.121 -5.549 1.00 73.25 C ATOM 623 CD2 LEU A 40 -18.966 -15.727 -7.986 1.00 31.10 C ATOM 0 H LEU A 40 -18.938 -13.400 -4.397 1.00 50.55 H new ATOM 0 HA LEU A 40 -16.443 -14.873 -4.742 1.00 21.11 H new ATOM 0 HB2 LEU A 40 -18.366 -13.563 -6.672 1.00 14.34 H new ATOM 0 HB3 LEU A 40 -16.803 -14.176 -7.174 1.00 14.34 H new ATOM 0 HG LEU A 40 -17.391 -16.401 -6.691 1.00 24.31 H new ATOM 0 HD11 LEU A 40 -19.532 -17.110 -5.766 1.00 73.25 H new ATOM 0 HD12 LEU A 40 -18.566 -16.155 -4.616 1.00 73.25 H new ATOM 0 HD13 LEU A 40 -19.948 -15.409 -5.453 1.00 73.25 H new ATOM 0 HD21 LEU A 40 -19.399 -16.717 -8.133 1.00 31.10 H new ATOM 0 HD22 LEU A 40 -19.761 -14.981 -7.973 1.00 31.10 H new ATOM 0 HD23 LEU A 40 -18.276 -15.508 -8.801 1.00 31.10 H new ATOM 635 N THR A 41 -14.958 -12.900 -4.653 1.00 13.44 N ATOM 636 CA THR A 41 -13.997 -11.823 -4.734 1.00 63.44 C ATOM 637 C THR A 41 -13.433 -11.759 -6.150 1.00 22.51 C ATOM 638 O THR A 41 -12.937 -10.726 -6.602 1.00 14.54 O ATOM 639 CB THR A 41 -12.866 -12.029 -3.710 1.00 5.41 C ATOM 640 OG1 THR A 41 -12.266 -13.323 -3.890 1.00 51.11 O ATOM 641 CG2 THR A 41 -13.403 -11.910 -2.292 1.00 22.42 C ATOM 0 H THR A 41 -14.604 -13.748 -4.210 1.00 13.44 H new ATOM 0 HA THR A 41 -14.492 -10.880 -4.501 1.00 63.44 H new ATOM 0 HB THR A 41 -12.114 -11.257 -3.869 1.00 5.41 H new ATOM 0 HG1 THR A 41 -12.623 -13.945 -3.222 1.00 51.11 H new ATOM 0 HG21 THR A 41 -12.590 -12.058 -1.581 1.00 22.42 H new ATOM 0 HG22 THR A 41 -13.834 -10.919 -2.148 1.00 22.42 H new ATOM 0 HG23 THR A 41 -14.170 -12.667 -2.129 1.00 22.42 H new ATOM 649 N ASP A 42 -13.544 -12.882 -6.847 1.00 52.21 N ATOM 650 CA ASP A 42 -13.149 -12.979 -8.242 1.00 74.13 C ATOM 651 C ASP A 42 -14.092 -13.917 -8.972 1.00 65.43 C ATOM 652 O ASP A 42 -14.522 -14.931 -8.424 1.00 33.14 O ATOM 653 CB ASP A 42 -11.711 -13.479 -8.371 1.00 54.31 C ATOM 654 CG ASP A 42 -11.242 -13.543 -9.811 1.00 33.12 C ATOM 655 OD1 ASP A 42 -11.294 -12.503 -10.503 1.00 24.11 O ATOM 656 OD2 ASP A 42 -10.788 -14.623 -10.247 1.00 2.03 O ATOM 0 H ASP A 42 -13.911 -13.751 -6.459 1.00 52.21 H new ATOM 0 HA ASP A 42 -13.203 -11.986 -8.688 1.00 74.13 H new ATOM 0 HB2 ASP A 42 -11.050 -12.821 -7.807 1.00 54.31 H new ATOM 0 HB3 ASP A 42 -11.633 -14.470 -7.923 1.00 54.31 H new ATOM 661 N CYS A 43 -14.433 -13.563 -10.189 1.00 43.34 N ATOM 662 CA CYS A 43 -15.319 -14.369 -11.003 1.00 42.41 C ATOM 663 C CYS A 43 -15.006 -14.120 -12.470 1.00 45.25 C ATOM 664 O CYS A 43 -14.847 -12.967 -12.878 1.00 15.53 O ATOM 665 CB CYS A 43 -16.773 -14.015 -10.683 1.00 42.24 C ATOM 666 SG CYS A 43 -17.185 -12.278 -10.970 1.00 50.03 S ATOM 0 H CYS A 43 -14.106 -12.711 -10.644 1.00 43.34 H new ATOM 0 HA CYS A 43 -15.172 -15.427 -10.788 1.00 42.41 H new ATOM 0 HB2 CYS A 43 -17.430 -14.639 -11.289 1.00 42.24 H new ATOM 0 HB3 CYS A 43 -16.975 -14.258 -9.640 1.00 42.24 H new ATOM 0 HG CYS A 43 -16.386 -11.785 -11.869 1.00 50.03 H new ATOM 672 N VAL A 44 -14.876 -15.183 -13.251 1.00 3.22 N ATOM 673 CA VAL A 44 -14.518 -15.037 -14.653 1.00 30.24 C ATOM 674 C VAL A 44 -14.861 -16.278 -15.466 1.00 4.51 C ATOM 675 O VAL A 44 -14.522 -17.402 -15.095 1.00 35.20 O ATOM 676 CB VAL A 44 -13.015 -14.705 -14.815 1.00 32.10 C ATOM 677 CG1 VAL A 44 -12.146 -15.743 -14.115 1.00 44.43 C ATOM 678 CG2 VAL A 44 -12.636 -14.593 -16.286 1.00 74.34 C ATOM 0 H VAL A 44 -15.011 -16.145 -12.942 1.00 3.22 H new ATOM 0 HA VAL A 44 -15.110 -14.207 -15.038 1.00 30.24 H new ATOM 0 HB VAL A 44 -12.836 -13.739 -14.343 1.00 32.10 H new ATOM 0 HG11 VAL A 44 -11.095 -15.485 -14.245 1.00 44.43 H new ATOM 0 HG12 VAL A 44 -12.386 -15.762 -13.052 1.00 44.43 H new ATOM 0 HG13 VAL A 44 -12.334 -16.726 -14.547 1.00 44.43 H new ATOM 0 HG21 VAL A 44 -11.575 -14.359 -16.372 1.00 74.34 H new ATOM 0 HG22 VAL A 44 -12.841 -15.539 -16.788 1.00 74.34 H new ATOM 0 HG23 VAL A 44 -13.221 -13.801 -16.753 1.00 74.34 H new ATOM 688 N VAL A 45 -15.552 -16.063 -16.570 1.00 13.20 N ATOM 689 CA VAL A 45 -15.794 -17.118 -17.537 1.00 35.32 C ATOM 690 C VAL A 45 -14.759 -17.018 -18.644 1.00 73.23 C ATOM 691 O VAL A 45 -14.380 -15.919 -19.044 1.00 70.35 O ATOM 692 CB VAL A 45 -17.209 -17.023 -18.154 1.00 50.04 C ATOM 693 CG1 VAL A 45 -17.403 -18.063 -19.248 1.00 44.02 C ATOM 694 CG2 VAL A 45 -18.267 -17.190 -17.083 1.00 11.42 C ATOM 0 H VAL A 45 -15.958 -15.161 -16.821 1.00 13.20 H new ATOM 0 HA VAL A 45 -15.719 -18.075 -17.020 1.00 35.32 H new ATOM 0 HB VAL A 45 -17.312 -16.034 -18.602 1.00 50.04 H new ATOM 0 HG11 VAL A 45 -18.407 -17.972 -19.663 1.00 44.02 H new ATOM 0 HG12 VAL A 45 -16.668 -17.902 -20.037 1.00 44.02 H new ATOM 0 HG13 VAL A 45 -17.273 -19.061 -18.829 1.00 44.02 H new ATOM 0 HG21 VAL A 45 -19.256 -17.120 -17.535 1.00 11.42 H new ATOM 0 HG22 VAL A 45 -18.153 -18.164 -16.608 1.00 11.42 H new ATOM 0 HG23 VAL A 45 -18.154 -16.406 -16.335 1.00 11.42 H new ATOM 704 N MET A 46 -14.282 -18.154 -19.122 1.00 74.35 N ATOM 705 CA MET A 46 -13.362 -18.158 -20.243 1.00 54.53 C ATOM 706 C MET A 46 -14.159 -18.053 -21.531 1.00 12.14 C ATOM 707 O MET A 46 -15.164 -18.744 -21.693 1.00 15.30 O ATOM 708 CB MET A 46 -12.507 -19.428 -20.253 1.00 53.20 C ATOM 709 CG MET A 46 -11.726 -19.655 -18.972 1.00 13.23 C ATOM 710 SD MET A 46 -10.528 -18.353 -18.651 1.00 12.31 S ATOM 711 CE MET A 46 -9.790 -18.990 -17.153 1.00 63.42 C ATOM 0 H MET A 46 -14.514 -19.077 -18.755 1.00 74.35 H new ATOM 0 HA MET A 46 -12.687 -17.307 -20.151 1.00 54.53 H new ATOM 0 HB2 MET A 46 -13.153 -20.288 -20.430 1.00 53.20 H new ATOM 0 HB3 MET A 46 -11.809 -19.377 -21.088 1.00 53.20 H new ATOM 0 HG2 MET A 46 -12.420 -19.719 -18.134 1.00 13.23 H new ATOM 0 HG3 MET A 46 -11.209 -20.613 -19.031 1.00 13.23 H new ATOM 0 HE1 MET A 46 -8.768 -18.622 -17.066 1.00 63.42 H new ATOM 0 HE2 MET A 46 -10.370 -18.658 -16.292 1.00 63.42 H new ATOM 0 HE3 MET A 46 -9.781 -20.079 -17.186 1.00 63.42 H new ATOM 856 N ARG A 55 -16.277 -20.773 -23.249 1.00 44.31 N ATOM 857 CA ARG A 55 -15.392 -21.873 -23.586 1.00 63.12 C ATOM 858 C ARG A 55 -15.875 -23.164 -22.945 1.00 41.22 C ATOM 859 O ARG A 55 -15.201 -24.194 -23.005 1.00 24.24 O ATOM 860 CB ARG A 55 -13.965 -21.558 -23.145 1.00 52.45 C ATOM 861 CG ARG A 55 -13.269 -20.554 -24.045 1.00 62.30 C ATOM 862 CD ARG A 55 -11.804 -20.370 -23.679 1.00 25.24 C ATOM 863 NE ARG A 55 -11.001 -21.540 -24.016 1.00 43.40 N ATOM 864 CZ ARG A 55 -9.675 -21.529 -24.125 1.00 61.14 C ATOM 865 NH1 ARG A 55 -8.990 -20.417 -23.883 1.00 34.22 N ATOM 866 NH2 ARG A 55 -9.032 -22.637 -24.467 1.00 25.24 N ATOM 0 HA ARG A 55 -15.400 -22.005 -24.668 1.00 63.12 H new ATOM 0 HB2 ARG A 55 -13.984 -21.171 -22.126 1.00 52.45 H new ATOM 0 HB3 ARG A 55 -13.386 -22.481 -23.125 1.00 52.45 H new ATOM 0 HG2 ARG A 55 -13.344 -20.885 -25.081 1.00 62.30 H new ATOM 0 HG3 ARG A 55 -13.781 -19.594 -23.979 1.00 62.30 H new ATOM 0 HD2 ARG A 55 -11.408 -19.498 -24.199 1.00 25.24 H new ATOM 0 HD3 ARG A 55 -11.720 -20.169 -22.611 1.00 25.24 H new ATOM 0 HE ARG A 55 -11.487 -22.422 -24.178 1.00 43.40 H new ATOM 0 HH11 ARG A 55 -9.480 -19.565 -23.612 1.00 34.22 H new ATOM 0 HH12 ARG A 55 -7.974 -20.415 -23.968 1.00 34.22 H new ATOM 0 HH21 ARG A 55 -9.554 -23.495 -24.646 1.00 25.24 H new ATOM 0 HH22 ARG A 55 -8.016 -22.631 -24.551 1.00 25.24 H new ATOM 880 N GLY A 56 -17.050 -23.100 -22.335 1.00 44.45 N ATOM 881 CA GLY A 56 -17.624 -24.275 -21.717 1.00 34.31 C ATOM 882 C GLY A 56 -17.181 -24.447 -20.280 1.00 0.40 C ATOM 883 O GLY A 56 -17.512 -25.448 -19.636 1.00 21.11 O ATOM 0 H GLY A 56 -17.615 -22.254 -22.258 1.00 44.45 H new ATOM 0 HA2 GLY A 56 -18.711 -24.207 -21.753 1.00 34.31 H new ATOM 0 HA3 GLY A 56 -17.341 -25.158 -22.290 1.00 34.31 H new ATOM 887 N PHE A 57 -16.444 -23.466 -19.767 1.00 13.41 N ATOM 888 CA PHE A 57 -15.967 -23.516 -18.390 1.00 42.35 C ATOM 889 C PHE A 57 -15.522 -22.132 -17.914 1.00 74.31 C ATOM 890 O PHE A 57 -15.313 -21.219 -18.718 1.00 31.12 O ATOM 891 CB PHE A 57 -14.821 -24.527 -18.250 1.00 2.41 C ATOM 892 CG PHE A 57 -13.501 -24.048 -18.785 1.00 32.04 C ATOM 893 CD1 PHE A 57 -12.450 -23.810 -17.920 1.00 31.35 C ATOM 894 CD2 PHE A 57 -13.318 -23.823 -20.138 1.00 15.51 C ATOM 895 CE1 PHE A 57 -11.235 -23.357 -18.394 1.00 4.41 C ATOM 896 CE2 PHE A 57 -12.105 -23.372 -20.621 1.00 13.35 C ATOM 897 CZ PHE A 57 -11.062 -23.136 -19.747 1.00 2.31 C ATOM 0 H PHE A 57 -16.165 -22.631 -20.282 1.00 13.41 H new ATOM 0 HA PHE A 57 -16.794 -23.842 -17.759 1.00 42.35 H new ATOM 0 HB2 PHE A 57 -14.702 -24.779 -17.196 1.00 2.41 H new ATOM 0 HB3 PHE A 57 -15.098 -25.445 -18.768 1.00 2.41 H new ATOM 0 HD1 PHE A 57 -12.580 -23.980 -16.862 1.00 31.35 H new ATOM 0 HD2 PHE A 57 -14.133 -24.002 -20.824 1.00 15.51 H new ATOM 0 HE1 PHE A 57 -10.421 -23.176 -17.708 1.00 4.41 H new ATOM 0 HE2 PHE A 57 -11.973 -23.204 -21.680 1.00 13.35 H new ATOM 0 HZ PHE A 57 -10.113 -22.780 -20.120 1.00 2.31 H new ATOM 907 N GLY A 58 -15.385 -21.990 -16.603 1.00 23.21 N ATOM 908 CA GLY A 58 -14.971 -20.733 -16.016 1.00 70.43 C ATOM 909 C GLY A 58 -14.417 -20.926 -14.619 1.00 72.33 C ATOM 910 O GLY A 58 -14.261 -22.059 -14.164 1.00 54.11 O ATOM 0 H GLY A 58 -15.556 -22.735 -15.928 1.00 23.21 H new ATOM 0 HA2 GLY A 58 -14.214 -20.268 -16.647 1.00 70.43 H new ATOM 0 HA3 GLY A 58 -15.820 -20.050 -15.980 1.00 70.43 H new ATOM 914 N PHE A 59 -14.121 -19.829 -13.936 1.00 2.44 N ATOM 915 CA PHE A 59 -13.560 -19.894 -12.594 1.00 72.32 C ATOM 916 C PHE A 59 -14.246 -18.907 -11.660 1.00 75.53 C ATOM 917 O PHE A 59 -14.799 -17.895 -12.093 1.00 22.20 O ATOM 918 CB PHE A 59 -12.056 -19.617 -12.613 1.00 72.21 C ATOM 919 CG PHE A 59 -11.236 -20.724 -13.212 1.00 55.04 C ATOM 920 CD1 PHE A 59 -10.692 -21.711 -12.409 1.00 50.34 C ATOM 921 CD2 PHE A 59 -10.998 -20.766 -14.572 1.00 74.12 C ATOM 922 CE1 PHE A 59 -9.922 -22.719 -12.954 1.00 14.40 C ATOM 923 CE2 PHE A 59 -10.233 -21.772 -15.126 1.00 55.25 C ATOM 924 CZ PHE A 59 -9.692 -22.749 -14.316 1.00 53.31 C ATOM 0 H PHE A 59 -14.260 -18.882 -14.290 1.00 2.44 H new ATOM 0 HA PHE A 59 -13.730 -20.905 -12.223 1.00 72.32 H new ATOM 0 HB2 PHE A 59 -11.873 -18.700 -13.173 1.00 72.21 H new ATOM 0 HB3 PHE A 59 -11.717 -19.440 -11.592 1.00 72.21 H new ATOM 0 HD1 PHE A 59 -10.872 -21.693 -11.344 1.00 50.34 H new ATOM 0 HD2 PHE A 59 -11.416 -20.002 -15.210 1.00 74.12 H new ATOM 0 HE1 PHE A 59 -9.500 -23.482 -12.317 1.00 14.40 H new ATOM 0 HE2 PHE A 59 -10.058 -21.794 -16.192 1.00 55.25 H new ATOM 0 HZ PHE A 59 -9.090 -23.536 -14.746 1.00 53.31 H new ATOM 934 N VAL A 60 -14.185 -19.211 -10.377 1.00 11.12 N ATOM 935 CA VAL A 60 -14.824 -18.406 -9.348 1.00 65.31 C ATOM 936 C VAL A 60 -14.008 -18.461 -8.059 1.00 2.02 C ATOM 937 O VAL A 60 -13.637 -19.535 -7.604 1.00 41.44 O ATOM 938 CB VAL A 60 -16.268 -18.890 -9.097 1.00 3.22 C ATOM 939 CG1 VAL A 60 -16.334 -20.389 -8.915 1.00 62.44 C ATOM 940 CG2 VAL A 60 -16.841 -18.199 -7.893 1.00 1.31 C ATOM 0 H VAL A 60 -13.689 -20.026 -10.016 1.00 11.12 H new ATOM 0 HA VAL A 60 -14.868 -17.372 -9.691 1.00 65.31 H new ATOM 0 HB VAL A 60 -16.859 -18.637 -9.977 1.00 3.22 H new ATOM 0 HG11 VAL A 60 -17.367 -20.689 -8.741 1.00 62.44 H new ATOM 0 HG12 VAL A 60 -15.960 -20.881 -9.812 1.00 62.44 H new ATOM 0 HG13 VAL A 60 -15.723 -20.679 -8.060 1.00 62.44 H new ATOM 0 HG21 VAL A 60 -17.860 -18.547 -7.724 1.00 1.31 H new ATOM 0 HG22 VAL A 60 -16.231 -18.425 -7.019 1.00 1.31 H new ATOM 0 HG23 VAL A 60 -16.849 -17.122 -8.061 1.00 1.31 H new ATOM 950 N THR A 61 -13.709 -17.308 -7.485 1.00 13.01 N ATOM 951 CA THR A 61 -12.947 -17.264 -6.250 1.00 61.14 C ATOM 952 C THR A 61 -13.782 -16.624 -5.162 1.00 32.31 C ATOM 953 O THR A 61 -14.237 -15.487 -5.300 1.00 72.31 O ATOM 954 CB THR A 61 -11.629 -16.480 -6.397 1.00 53.24 C ATOM 955 OG1 THR A 61 -10.874 -16.971 -7.510 1.00 14.02 O ATOM 956 CG2 THR A 61 -10.783 -16.598 -5.137 1.00 34.01 C ATOM 0 H THR A 61 -13.980 -16.396 -7.852 1.00 13.01 H new ATOM 0 HA THR A 61 -12.695 -18.292 -5.991 1.00 61.14 H new ATOM 0 HB THR A 61 -11.885 -15.433 -6.561 1.00 53.24 H new ATOM 0 HG1 THR A 61 -9.954 -17.153 -7.226 1.00 14.02 H new ATOM 0 HG21 THR A 61 -9.858 -16.036 -5.266 1.00 34.01 H new ATOM 0 HG22 THR A 61 -11.336 -16.196 -4.288 1.00 34.01 H new ATOM 0 HG23 THR A 61 -10.548 -17.646 -4.953 1.00 34.01 H new ATOM 964 N TYR A 62 -13.995 -17.356 -4.092 1.00 20.15 N ATOM 965 CA TYR A 62 -14.810 -16.870 -3.001 1.00 70.44 C ATOM 966 C TYR A 62 -13.986 -16.046 -2.023 1.00 73.01 C ATOM 967 O TYR A 62 -12.780 -15.872 -2.200 1.00 43.22 O ATOM 968 CB TYR A 62 -15.474 -18.039 -2.285 1.00 61.23 C ATOM 969 CG TYR A 62 -16.602 -18.663 -3.074 1.00 11.02 C ATOM 970 CD1 TYR A 62 -17.913 -18.292 -2.835 1.00 61.53 C ATOM 971 CD2 TYR A 62 -16.356 -19.617 -4.054 1.00 43.44 C ATOM 972 CE1 TYR A 62 -18.954 -18.853 -3.544 1.00 32.32 C ATOM 973 CE2 TYR A 62 -17.392 -20.183 -4.770 1.00 30.10 C ATOM 974 CZ TYR A 62 -18.689 -19.797 -4.510 1.00 53.03 C ATOM 975 OH TYR A 62 -19.726 -20.352 -5.217 1.00 61.33 O ATOM 0 H TYR A 62 -13.614 -18.292 -3.953 1.00 20.15 H new ATOM 0 HA TYR A 62 -15.582 -16.222 -3.415 1.00 70.44 H new ATOM 0 HB2 TYR A 62 -14.723 -18.800 -2.074 1.00 61.23 H new ATOM 0 HB3 TYR A 62 -15.858 -17.696 -1.324 1.00 61.23 H new ATOM 0 HD1 TYR A 62 -18.125 -17.550 -2.080 1.00 61.53 H new ATOM 0 HD2 TYR A 62 -15.340 -19.920 -4.259 1.00 43.44 H new ATOM 0 HE1 TYR A 62 -19.972 -18.553 -3.342 1.00 32.32 H new ATOM 0 HE2 TYR A 62 -17.187 -20.924 -5.529 1.00 30.10 H new ATOM 0 HH TYR A 62 -20.469 -19.715 -5.262 1.00 61.33 H new ATOM 985 N ALA A 63 -14.650 -15.527 -1.002 1.00 34.13 N ATOM 986 CA ALA A 63 -13.992 -14.714 0.012 1.00 65.24 C ATOM 987 C ALA A 63 -13.145 -15.583 0.928 1.00 34.42 C ATOM 988 O ALA A 63 -12.164 -15.128 1.513 1.00 2.15 O ATOM 989 CB ALA A 63 -15.025 -13.943 0.819 1.00 3.00 C ATOM 0 H ALA A 63 -15.651 -15.655 -0.852 1.00 34.13 H new ATOM 0 HA ALA A 63 -13.336 -14.002 -0.488 1.00 65.24 H new ATOM 0 HB1 ALA A 63 -14.521 -13.339 1.573 1.00 3.00 H new ATOM 0 HB2 ALA A 63 -15.594 -13.293 0.155 1.00 3.00 H new ATOM 0 HB3 ALA A 63 -15.702 -14.644 1.308 1.00 3.00 H new ATOM 995 N THR A 64 -13.527 -16.845 1.033 1.00 75.35 N ATOM 996 CA THR A 64 -12.818 -17.792 1.866 1.00 1.43 C ATOM 997 C THR A 64 -13.195 -19.217 1.469 1.00 21.03 C ATOM 998 O THR A 64 -14.187 -19.429 0.764 1.00 62.01 O ATOM 999 CB THR A 64 -13.116 -17.552 3.366 1.00 44.05 C ATOM 1000 OG1 THR A 64 -12.430 -18.515 4.178 1.00 13.34 O ATOM 1001 CG2 THR A 64 -14.611 -17.612 3.644 1.00 74.10 C ATOM 0 H THR A 64 -14.333 -17.237 0.545 1.00 75.35 H new ATOM 0 HA THR A 64 -11.748 -17.649 1.713 1.00 1.43 H new ATOM 0 HB THR A 64 -12.757 -16.555 3.620 1.00 44.05 H new ATOM 0 HG1 THR A 64 -12.629 -18.347 5.123 1.00 13.34 H new ATOM 0 HG21 THR A 64 -14.791 -17.440 4.705 1.00 74.10 H new ATOM 0 HG22 THR A 64 -15.121 -16.845 3.061 1.00 74.10 H new ATOM 0 HG23 THR A 64 -14.994 -18.594 3.366 1.00 74.10 H new ATOM 1009 N VAL A 65 -12.390 -20.179 1.904 1.00 33.31 N ATOM 1010 CA VAL A 65 -12.623 -21.593 1.617 1.00 20.03 C ATOM 1011 C VAL A 65 -13.990 -22.071 2.116 1.00 1.24 C ATOM 1012 O VAL A 65 -14.566 -23.006 1.560 1.00 1.23 O ATOM 1013 CB VAL A 65 -11.518 -22.475 2.239 1.00 52.44 C ATOM 1014 CG1 VAL A 65 -10.179 -22.188 1.582 1.00 64.01 C ATOM 1015 CG2 VAL A 65 -11.426 -22.257 3.744 1.00 61.04 C ATOM 0 H VAL A 65 -11.557 -20.003 2.466 1.00 33.31 H new ATOM 0 HA VAL A 65 -12.602 -21.692 0.532 1.00 20.03 H new ATOM 0 HB VAL A 65 -11.780 -23.518 2.063 1.00 52.44 H new ATOM 0 HG11 VAL A 65 -9.411 -22.817 2.031 1.00 64.01 H new ATOM 0 HG12 VAL A 65 -10.244 -22.401 0.515 1.00 64.01 H new ATOM 0 HG13 VAL A 65 -9.920 -21.139 1.727 1.00 64.01 H new ATOM 0 HG21 VAL A 65 -10.640 -22.890 4.156 1.00 61.04 H new ATOM 0 HG22 VAL A 65 -11.193 -21.212 3.947 1.00 61.04 H new ATOM 0 HG23 VAL A 65 -12.379 -22.513 4.208 1.00 61.04 H new ATOM 1025 N GLU A 66 -14.507 -21.418 3.152 1.00 53.13 N ATOM 1026 CA GLU A 66 -15.809 -21.766 3.720 1.00 71.11 C ATOM 1027 C GLU A 66 -16.920 -21.576 2.696 1.00 5.23 C ATOM 1028 O GLU A 66 -17.815 -22.411 2.567 1.00 24.42 O ATOM 1029 CB GLU A 66 -16.084 -20.910 4.953 1.00 45.31 C ATOM 1030 CG GLU A 66 -15.101 -21.148 6.083 1.00 22.14 C ATOM 1031 CD GLU A 66 -15.202 -22.550 6.646 1.00 74.23 C ATOM 1032 OE1 GLU A 66 -14.513 -23.456 6.135 1.00 23.11 O ATOM 1033 OE2 GLU A 66 -15.981 -22.753 7.600 1.00 5.33 O ATOM 0 H GLU A 66 -14.042 -20.640 3.619 1.00 53.13 H new ATOM 0 HA GLU A 66 -15.787 -22.817 4.008 1.00 71.11 H new ATOM 0 HB2 GLU A 66 -16.053 -19.858 4.670 1.00 45.31 H new ATOM 0 HB3 GLU A 66 -17.093 -21.114 5.310 1.00 45.31 H new ATOM 0 HG2 GLU A 66 -14.087 -20.976 5.722 1.00 22.14 H new ATOM 0 HG3 GLU A 66 -15.283 -20.425 6.878 1.00 22.14 H new ATOM 1040 N GLU A 67 -16.837 -20.476 1.961 1.00 65.32 N ATOM 1041 CA GLU A 67 -17.809 -20.167 0.924 1.00 42.54 C ATOM 1042 C GLU A 67 -17.760 -21.234 -0.169 1.00 21.43 C ATOM 1043 O GLU A 67 -18.788 -21.654 -0.700 1.00 74.22 O ATOM 1044 CB GLU A 67 -17.495 -18.803 0.318 1.00 61.11 C ATOM 1045 CG GLU A 67 -17.262 -17.702 1.338 1.00 54.14 C ATOM 1046 CD GLU A 67 -18.533 -17.256 2.024 1.00 23.20 C ATOM 1047 OE1 GLU A 67 -19.139 -16.271 1.562 1.00 5.31 O ATOM 1048 OE2 GLU A 67 -18.923 -17.881 3.030 1.00 24.02 O ATOM 0 H GLU A 67 -16.100 -19.778 2.066 1.00 65.32 H new ATOM 0 HA GLU A 67 -18.806 -20.149 1.364 1.00 42.54 H new ATOM 0 HB2 GLU A 67 -16.609 -18.893 -0.310 1.00 61.11 H new ATOM 0 HB3 GLU A 67 -18.319 -18.510 -0.333 1.00 61.11 H new ATOM 0 HG2 GLU A 67 -16.554 -18.053 2.089 1.00 54.14 H new ATOM 0 HG3 GLU A 67 -16.803 -16.846 0.843 1.00 54.14 H new ATOM 1055 N VAL A 68 -16.543 -21.664 -0.488 1.00 11.52 N ATOM 1056 CA VAL A 68 -16.314 -22.704 -1.484 1.00 43.24 C ATOM 1057 C VAL A 68 -16.963 -24.019 -1.063 1.00 2.25 C ATOM 1058 O VAL A 68 -17.590 -24.703 -1.876 1.00 24.13 O ATOM 1059 CB VAL A 68 -14.801 -22.924 -1.708 1.00 53.21 C ATOM 1060 CG1 VAL A 68 -14.534 -24.235 -2.428 1.00 25.13 C ATOM 1061 CG2 VAL A 68 -14.206 -21.766 -2.489 1.00 13.50 C ATOM 0 H VAL A 68 -15.689 -21.302 -0.064 1.00 11.52 H new ATOM 0 HA VAL A 68 -16.769 -22.370 -2.417 1.00 43.24 H new ATOM 0 HB VAL A 68 -14.324 -22.973 -0.729 1.00 53.21 H new ATOM 0 HG11 VAL A 68 -13.461 -24.360 -2.570 1.00 25.13 H new ATOM 0 HG12 VAL A 68 -14.920 -25.062 -1.832 1.00 25.13 H new ATOM 0 HG13 VAL A 68 -15.030 -24.225 -3.399 1.00 25.13 H new ATOM 0 HG21 VAL A 68 -13.140 -21.937 -2.638 1.00 13.50 H new ATOM 0 HG22 VAL A 68 -14.700 -21.689 -3.458 1.00 13.50 H new ATOM 0 HG23 VAL A 68 -14.351 -20.840 -1.933 1.00 13.50 H new ATOM 1071 N ASP A 69 -16.808 -24.357 0.211 1.00 50.44 N ATOM 1072 CA ASP A 69 -17.362 -25.591 0.759 1.00 13.44 C ATOM 1073 C ASP A 69 -18.861 -25.658 0.504 1.00 33.35 C ATOM 1074 O ASP A 69 -19.363 -26.650 -0.022 1.00 1.44 O ATOM 1075 CB ASP A 69 -17.079 -25.675 2.262 1.00 20.55 C ATOM 1076 CG ASP A 69 -17.218 -27.082 2.808 1.00 13.21 C ATOM 1077 OD1 ASP A 69 -16.249 -27.862 2.692 1.00 62.42 O ATOM 1078 OD2 ASP A 69 -18.279 -27.412 3.379 1.00 64.44 O ATOM 0 H ASP A 69 -16.299 -23.790 0.889 1.00 50.44 H new ATOM 0 HA ASP A 69 -16.886 -26.437 0.263 1.00 13.44 H new ATOM 0 HB2 ASP A 69 -16.070 -25.312 2.458 1.00 20.55 H new ATOM 0 HB3 ASP A 69 -17.764 -25.015 2.794 1.00 20.55 H new ATOM 1083 N ALA A 70 -19.558 -24.575 0.832 1.00 50.41 N ATOM 1084 CA ALA A 70 -21.006 -24.505 0.665 1.00 25.31 C ATOM 1085 C ALA A 70 -21.411 -24.672 -0.797 1.00 20.30 C ATOM 1086 O ALA A 70 -22.426 -25.303 -1.097 1.00 74.12 O ATOM 1087 CB ALA A 70 -21.533 -23.187 1.205 1.00 75.24 C ATOM 0 H ALA A 70 -19.140 -23.728 1.218 1.00 50.41 H new ATOM 0 HA ALA A 70 -21.446 -25.327 1.230 1.00 25.31 H new ATOM 0 HB1 ALA A 70 -22.614 -23.147 1.075 1.00 75.24 H new ATOM 0 HB2 ALA A 70 -21.292 -23.106 2.265 1.00 75.24 H new ATOM 0 HB3 ALA A 70 -21.071 -22.361 0.664 1.00 75.24 H new ATOM 1093 N ALA A 71 -20.609 -24.114 -1.698 1.00 53.35 N ATOM 1094 CA ALA A 71 -20.884 -24.208 -3.128 1.00 44.25 C ATOM 1095 C ALA A 71 -20.714 -25.639 -3.621 1.00 22.11 C ATOM 1096 O ALA A 71 -21.450 -26.099 -4.493 1.00 3.32 O ATOM 1097 CB ALA A 71 -19.977 -23.268 -3.904 1.00 34.34 C ATOM 0 H ALA A 71 -19.764 -23.592 -1.464 1.00 53.35 H new ATOM 0 HA ALA A 71 -21.919 -23.912 -3.296 1.00 44.25 H new ATOM 0 HB1 ALA A 71 -20.194 -23.350 -4.969 1.00 34.34 H new ATOM 0 HB2 ALA A 71 -20.149 -22.243 -3.576 1.00 34.34 H new ATOM 0 HB3 ALA A 71 -18.936 -23.536 -3.724 1.00 34.34 H new ATOM 1103 N MET A 72 -19.747 -26.345 -3.050 1.00 22.10 N ATOM 1104 CA MET A 72 -19.518 -27.741 -3.402 1.00 4.42 C ATOM 1105 C MET A 72 -20.646 -28.611 -2.872 1.00 61.54 C ATOM 1106 O MET A 72 -21.084 -29.553 -3.529 1.00 2.00 O ATOM 1107 CB MET A 72 -18.195 -28.245 -2.834 1.00 63.14 C ATOM 1108 CG MET A 72 -16.964 -27.563 -3.395 1.00 21.51 C ATOM 1109 SD MET A 72 -15.454 -28.420 -2.918 1.00 64.32 S ATOM 1110 CE MET A 72 -14.268 -27.607 -3.972 1.00 31.41 C ATOM 0 H MET A 72 -19.110 -25.976 -2.344 1.00 22.10 H new ATOM 0 HA MET A 72 -19.482 -27.803 -4.490 1.00 4.42 H new ATOM 0 HB2 MET A 72 -18.206 -28.112 -1.752 1.00 63.14 H new ATOM 0 HB3 MET A 72 -18.118 -29.316 -3.023 1.00 63.14 H new ATOM 0 HG2 MET A 72 -17.033 -27.524 -4.482 1.00 21.51 H new ATOM 0 HG3 MET A 72 -16.925 -26.533 -3.041 1.00 21.51 H new ATOM 0 HE1 MET A 72 -13.340 -28.179 -3.985 1.00 31.41 H new ATOM 0 HE2 MET A 72 -14.667 -27.540 -4.984 1.00 31.41 H new ATOM 0 HE3 MET A 72 -14.071 -26.604 -3.592 1.00 31.41 H new ATOM 1120 N ASN A 73 -21.120 -28.274 -1.678 1.00 60.20 N ATOM 1121 CA ASN A 73 -22.197 -29.017 -1.028 1.00 21.04 C ATOM 1122 C ASN A 73 -23.519 -28.767 -1.737 1.00 20.52 C ATOM 1123 O ASN A 73 -24.537 -29.385 -1.425 1.00 31.14 O ATOM 1124 CB ASN A 73 -22.307 -28.602 0.443 1.00 33.34 C ATOM 1125 CG ASN A 73 -21.026 -28.864 1.210 1.00 51.51 C ATOM 1126 OD1 ASN A 73 -20.331 -29.851 0.963 1.00 45.13 O ATOM 1127 ND2 ASN A 73 -20.694 -27.974 2.131 1.00 54.23 N ATOM 0 H ASN A 73 -20.772 -27.484 -1.135 1.00 60.20 H new ATOM 0 HA ASN A 73 -21.967 -30.081 -1.083 1.00 21.04 H new ATOM 0 HB2 ASN A 73 -22.553 -27.542 0.502 1.00 33.34 H new ATOM 0 HB3 ASN A 73 -23.127 -29.146 0.912 1.00 33.34 H new ATOM 0 HD21 ASN A 73 -19.834 -28.092 2.667 1.00 54.23 H new ATOM 0 HD22 ASN A 73 -21.298 -27.170 2.305 1.00 54.23 H new ATOM 1134 N ALA A 74 -23.491 -27.856 -2.696 1.00 12.42 N ATOM 1135 CA ALA A 74 -24.666 -27.518 -3.471 1.00 72.22 C ATOM 1136 C ALA A 74 -24.738 -28.356 -4.747 1.00 71.44 C ATOM 1137 O ALA A 74 -25.574 -28.111 -5.617 1.00 62.41 O ATOM 1138 CB ALA A 74 -24.655 -26.034 -3.796 1.00 75.43 C ATOM 0 H ALA A 74 -22.654 -27.333 -2.956 1.00 12.42 H new ATOM 0 HA ALA A 74 -25.554 -27.742 -2.880 1.00 72.22 H new ATOM 0 HB1 ALA A 74 -25.541 -25.783 -4.379 1.00 75.43 H new ATOM 0 HB2 ALA A 74 -24.655 -25.459 -2.870 1.00 75.43 H new ATOM 0 HB3 ALA A 74 -23.761 -25.794 -4.372 1.00 75.43 H new ATOM 1144 N ARG A 75 -23.847 -29.340 -4.850 1.00 1.11 N ATOM 1145 CA ARG A 75 -23.851 -30.279 -5.970 1.00 12.43 C ATOM 1146 C ARG A 75 -25.109 -31.147 -5.921 1.00 15.14 C ATOM 1147 O ARG A 75 -25.529 -31.563 -4.840 1.00 64.24 O ATOM 1148 CB ARG A 75 -22.600 -31.169 -5.919 1.00 41.04 C ATOM 1149 CG ARG A 75 -22.524 -32.193 -7.041 1.00 4.10 C ATOM 1150 CD ARG A 75 -21.367 -33.160 -6.857 1.00 44.22 C ATOM 1151 NE ARG A 75 -20.071 -32.485 -6.852 1.00 60.24 N ATOM 1152 CZ ARG A 75 -19.143 -32.647 -7.795 1.00 45.20 C ATOM 1153 NH1 ARG A 75 -19.386 -33.411 -8.854 1.00 51.31 N ATOM 1154 NH2 ARG A 75 -17.975 -32.032 -7.679 1.00 35.01 N ATOM 0 H ARG A 75 -23.109 -29.508 -4.167 1.00 1.11 H new ATOM 0 HA ARG A 75 -23.845 -29.714 -6.902 1.00 12.43 H new ATOM 0 HB2 ARG A 75 -21.714 -30.535 -5.958 1.00 41.04 H new ATOM 0 HB3 ARG A 75 -22.576 -31.691 -4.962 1.00 41.04 H new ATOM 0 HG2 ARG A 75 -23.459 -32.752 -7.085 1.00 4.10 H new ATOM 0 HG3 ARG A 75 -22.416 -31.677 -7.995 1.00 4.10 H new ATOM 0 HD2 ARG A 75 -21.495 -33.701 -5.920 1.00 44.22 H new ATOM 0 HD3 ARG A 75 -21.385 -33.900 -7.657 1.00 44.22 H new ATOM 0 HE ARG A 75 -19.864 -31.851 -6.080 1.00 60.24 H new ATOM 0 HH11 ARG A 75 -20.288 -33.878 -8.950 1.00 51.31 H new ATOM 0 HH12 ARG A 75 -18.671 -33.530 -9.572 1.00 51.31 H new ATOM 0 HH21 ARG A 75 -17.789 -31.438 -6.871 1.00 35.01 H new ATOM 0 HH22 ARG A 75 -17.261 -32.153 -8.398 1.00 35.01 H new ATOM 1168 N PRO A 76 -25.730 -31.440 -7.080 1.00 72.25 N ATOM 1169 CA PRO A 76 -25.272 -30.980 -8.393 1.00 55.32 C ATOM 1170 C PRO A 76 -25.569 -29.505 -8.623 1.00 41.10 C ATOM 1171 O PRO A 76 -26.708 -29.056 -8.472 1.00 21.34 O ATOM 1172 CB PRO A 76 -26.062 -31.843 -9.392 1.00 11.11 C ATOM 1173 CG PRO A 76 -26.787 -32.856 -8.570 1.00 62.05 C ATOM 1174 CD PRO A 76 -26.935 -32.260 -7.201 1.00 60.13 C ATOM 0 HA PRO A 76 -24.191 -31.080 -8.495 1.00 55.32 H new ATOM 0 HB2 PRO A 76 -26.760 -31.235 -9.968 1.00 11.11 H new ATOM 0 HB3 PRO A 76 -25.394 -32.325 -10.106 1.00 11.11 H new ATOM 0 HG2 PRO A 76 -27.761 -33.083 -9.003 1.00 62.05 H new ATOM 0 HG3 PRO A 76 -26.231 -33.793 -8.528 1.00 62.05 H new ATOM 0 HD2 PRO A 76 -27.843 -31.663 -7.115 1.00 60.13 H new ATOM 0 HD3 PRO A 76 -26.983 -33.027 -6.428 1.00 60.13 H new ATOM 1182 N HIS A 77 -24.541 -28.765 -8.991 1.00 75.15 N ATOM 1183 CA HIS A 77 -24.668 -27.332 -9.194 1.00 71.32 C ATOM 1184 C HIS A 77 -25.395 -27.046 -10.509 1.00 33.45 C ATOM 1185 O HIS A 77 -25.418 -27.884 -11.417 1.00 41.51 O ATOM 1186 CB HIS A 77 -23.284 -26.678 -9.191 1.00 30.14 C ATOM 1187 CG HIS A 77 -23.313 -25.215 -8.882 1.00 3.51 C ATOM 1188 ND1 HIS A 77 -23.797 -24.304 -9.784 1.00 54.03 N ATOM 1189 CD2 HIS A 77 -22.927 -24.563 -7.760 1.00 43.10 C ATOM 1190 CE1 HIS A 77 -23.702 -23.127 -9.203 1.00 32.25 C ATOM 1191 NE2 HIS A 77 -23.180 -23.230 -7.973 1.00 53.24 N ATOM 0 H HIS A 77 -23.604 -29.133 -9.156 1.00 75.15 H new ATOM 0 HA HIS A 77 -25.254 -26.909 -8.378 1.00 71.32 H new ATOM 0 HB2 HIS A 77 -22.654 -27.183 -8.458 1.00 30.14 H new ATOM 0 HB3 HIS A 77 -22.820 -26.826 -10.166 1.00 30.14 H new ATOM 0 HD2 HIS A 77 -22.503 -25.005 -6.871 1.00 43.10 H new ATOM 0 HE1 HIS A 77 -24.006 -22.197 -9.659 1.00 32.25 H new ATOM 0 HE2 HIS A 77 -23.004 -22.466 -7.321 1.00 53.24 H new ATOM 1199 N LYS A 78 -25.990 -25.869 -10.613 1.00 23.20 N ATOM 1200 CA LYS A 78 -26.768 -25.514 -11.783 1.00 3.42 C ATOM 1201 C LYS A 78 -26.513 -24.063 -12.175 1.00 63.45 C ATOM 1202 O LYS A 78 -26.924 -23.141 -11.471 1.00 72.13 O ATOM 1203 CB LYS A 78 -28.257 -25.718 -11.504 1.00 11.40 C ATOM 1204 CG LYS A 78 -29.119 -25.732 -12.754 1.00 13.21 C ATOM 1205 CD LYS A 78 -28.806 -26.929 -13.643 1.00 71.34 C ATOM 1206 CE LYS A 78 -29.328 -28.239 -13.060 1.00 3.43 C ATOM 1207 NZ LYS A 78 -28.585 -28.668 -11.841 1.00 50.33 N ATOM 0 H LYS A 78 -25.947 -25.143 -9.898 1.00 23.20 H new ATOM 0 HA LYS A 78 -26.464 -26.159 -12.607 1.00 3.42 H new ATOM 0 HB2 LYS A 78 -28.391 -26.659 -10.971 1.00 11.40 H new ATOM 0 HB3 LYS A 78 -28.605 -24.924 -10.843 1.00 11.40 H new ATOM 0 HG2 LYS A 78 -30.171 -25.755 -12.470 1.00 13.21 H new ATOM 0 HG3 LYS A 78 -28.961 -24.811 -13.315 1.00 13.21 H new ATOM 0 HD2 LYS A 78 -29.246 -26.772 -14.628 1.00 71.34 H new ATOM 0 HD3 LYS A 78 -27.728 -27.001 -13.784 1.00 71.34 H new ATOM 0 HE2 LYS A 78 -30.384 -28.126 -12.815 1.00 3.43 H new ATOM 0 HE3 LYS A 78 -29.258 -29.021 -13.816 1.00 3.43 H new ATOM 0 HZ1 LYS A 78 -28.503 -29.705 -11.831 1.00 50.33 H new ATOM 0 HZ2 LYS A 78 -27.635 -28.246 -11.847 1.00 50.33 H new ATOM 0 HZ3 LYS A 78 -29.098 -28.353 -10.993 1.00 50.33 H new ATOM 1221 N VAL A 79 -25.837 -23.870 -13.296 1.00 14.43 N ATOM 1222 CA VAL A 79 -25.552 -22.535 -13.803 1.00 34.02 C ATOM 1223 C VAL A 79 -26.131 -22.387 -15.203 1.00 43.51 C ATOM 1224 O VAL A 79 -25.800 -23.168 -16.091 1.00 70.32 O ATOM 1225 CB VAL A 79 -24.033 -22.255 -13.841 1.00 2.21 C ATOM 1226 CG1 VAL A 79 -23.740 -20.874 -14.408 1.00 44.22 C ATOM 1227 CG2 VAL A 79 -23.424 -22.401 -12.461 1.00 63.23 C ATOM 0 H VAL A 79 -25.473 -24.626 -13.876 1.00 14.43 H new ATOM 0 HA VAL A 79 -26.012 -21.813 -13.129 1.00 34.02 H new ATOM 0 HB VAL A 79 -23.577 -22.994 -14.500 1.00 2.21 H new ATOM 0 HG11 VAL A 79 -22.663 -20.707 -14.422 1.00 44.22 H new ATOM 0 HG12 VAL A 79 -24.130 -20.807 -15.424 1.00 44.22 H new ATOM 0 HG13 VAL A 79 -24.217 -20.117 -13.786 1.00 44.22 H new ATOM 0 HG21 VAL A 79 -22.354 -22.199 -12.512 1.00 63.23 H new ATOM 0 HG22 VAL A 79 -23.895 -21.693 -11.779 1.00 63.23 H new ATOM 0 HG23 VAL A 79 -23.585 -23.416 -12.098 1.00 63.23 H new ATOM 1237 N ASP A 80 -27.021 -21.407 -15.381 1.00 44.21 N ATOM 1238 CA ASP A 80 -27.702 -21.182 -16.664 1.00 63.12 C ATOM 1239 C ASP A 80 -28.593 -22.382 -17.013 1.00 40.53 C ATOM 1240 O ASP A 80 -28.945 -22.612 -18.165 1.00 31.33 O ATOM 1241 CB ASP A 80 -26.676 -20.918 -17.787 1.00 14.01 C ATOM 1242 CG ASP A 80 -27.318 -20.555 -19.114 1.00 21.11 C ATOM 1243 OD1 ASP A 80 -27.903 -19.457 -19.220 1.00 42.11 O ATOM 1244 OD2 ASP A 80 -27.233 -21.365 -20.063 1.00 2.24 O ATOM 0 H ASP A 80 -27.290 -20.751 -14.648 1.00 44.21 H new ATOM 0 HA ASP A 80 -28.334 -20.299 -16.569 1.00 63.12 H new ATOM 0 HB2 ASP A 80 -26.011 -20.110 -17.480 1.00 14.01 H new ATOM 0 HB3 ASP A 80 -26.058 -21.806 -17.921 1.00 14.01 H new ATOM 1249 N GLY A 81 -28.993 -23.130 -15.992 1.00 74.21 N ATOM 1250 CA GLY A 81 -29.757 -24.341 -16.224 1.00 44.12 C ATOM 1251 C GLY A 81 -28.882 -25.459 -16.755 1.00 13.03 C ATOM 1252 O GLY A 81 -29.366 -26.420 -17.351 1.00 53.13 O ATOM 0 H GLY A 81 -28.803 -22.921 -15.012 1.00 74.21 H new ATOM 0 HA2 GLY A 81 -30.229 -24.658 -15.294 1.00 44.12 H new ATOM 0 HA3 GLY A 81 -30.558 -24.136 -16.934 1.00 44.12 H new ATOM 1256 N ARG A 82 -27.584 -25.320 -16.540 1.00 32.41 N ATOM 1257 CA ARG A 82 -26.613 -26.308 -16.969 1.00 34.04 C ATOM 1258 C ARG A 82 -25.924 -26.900 -15.747 1.00 72.05 C ATOM 1259 O ARG A 82 -25.530 -26.168 -14.838 1.00 2.33 O ATOM 1260 CB ARG A 82 -25.587 -25.653 -17.902 1.00 72.30 C ATOM 1261 CG ARG A 82 -24.556 -26.612 -18.467 1.00 61.05 C ATOM 1262 CD ARG A 82 -25.212 -27.704 -19.289 1.00 23.31 C ATOM 1263 NE ARG A 82 -25.993 -27.157 -20.397 1.00 2.05 N ATOM 1264 CZ ARG A 82 -27.054 -27.760 -20.931 1.00 62.34 C ATOM 1265 NH1 ARG A 82 -27.467 -28.933 -20.462 1.00 71.43 N ATOM 1266 NH2 ARG A 82 -27.706 -27.183 -21.931 1.00 33.01 N ATOM 0 H ARG A 82 -27.175 -24.517 -16.062 1.00 32.41 H new ATOM 0 HA ARG A 82 -27.115 -27.108 -17.514 1.00 34.04 H new ATOM 0 HB2 ARG A 82 -26.116 -25.178 -18.728 1.00 72.30 H new ATOM 0 HB3 ARG A 82 -25.071 -24.862 -17.358 1.00 72.30 H new ATOM 0 HG2 ARG A 82 -23.847 -26.063 -19.087 1.00 61.05 H new ATOM 0 HG3 ARG A 82 -23.987 -27.059 -17.652 1.00 61.05 H new ATOM 0 HD2 ARG A 82 -24.446 -28.374 -19.680 1.00 23.31 H new ATOM 0 HD3 ARG A 82 -25.860 -28.301 -18.648 1.00 23.31 H new ATOM 0 HE ARG A 82 -25.708 -26.258 -20.785 1.00 2.05 H new ATOM 0 HH11 ARG A 82 -26.971 -29.376 -19.689 1.00 71.43 H new ATOM 0 HH12 ARG A 82 -28.280 -29.390 -20.875 1.00 71.43 H new ATOM 0 HH21 ARG A 82 -27.395 -26.280 -22.289 1.00 33.01 H new ATOM 0 HH22 ARG A 82 -28.519 -27.642 -22.342 1.00 33.01 H new ATOM 1280 N VAL A 83 -25.810 -28.218 -15.703 1.00 25.22 N ATOM 1281 CA VAL A 83 -25.168 -28.880 -14.576 1.00 21.40 C ATOM 1282 C VAL A 83 -23.658 -28.732 -14.670 1.00 25.44 C ATOM 1283 O VAL A 83 -23.014 -29.362 -15.510 1.00 62.52 O ATOM 1284 CB VAL A 83 -25.528 -30.377 -14.511 1.00 40.40 C ATOM 1285 CG1 VAL A 83 -24.918 -31.029 -13.278 1.00 53.22 C ATOM 1286 CG2 VAL A 83 -27.035 -30.565 -14.529 1.00 63.41 C ATOM 0 H VAL A 83 -26.151 -28.848 -16.429 1.00 25.22 H new ATOM 0 HA VAL A 83 -25.533 -28.400 -13.668 1.00 21.40 H new ATOM 0 HB VAL A 83 -25.111 -30.866 -15.392 1.00 40.40 H new ATOM 0 HG11 VAL A 83 -25.186 -32.085 -13.255 1.00 53.22 H new ATOM 0 HG12 VAL A 83 -23.833 -30.931 -13.314 1.00 53.22 H new ATOM 0 HG13 VAL A 83 -25.297 -30.538 -12.382 1.00 53.22 H new ATOM 0 HG21 VAL A 83 -27.270 -31.628 -14.482 1.00 63.41 H new ATOM 0 HG22 VAL A 83 -27.475 -30.058 -13.670 1.00 63.41 H new ATOM 0 HG23 VAL A 83 -27.443 -30.143 -15.447 1.00 63.41 H new ATOM 1296 N VAL A 84 -23.099 -27.889 -13.818 1.00 54.03 N ATOM 1297 CA VAL A 84 -21.666 -27.656 -13.819 1.00 23.25 C ATOM 1298 C VAL A 84 -21.015 -28.412 -12.675 1.00 42.30 C ATOM 1299 O VAL A 84 -21.689 -28.810 -11.722 1.00 75.32 O ATOM 1300 CB VAL A 84 -21.326 -26.153 -13.699 1.00 51.32 C ATOM 1301 CG1 VAL A 84 -22.045 -25.354 -14.772 1.00 61.40 C ATOM 1302 CG2 VAL A 84 -21.666 -25.619 -12.313 1.00 53.43 C ATOM 0 H VAL A 84 -23.615 -27.356 -13.118 1.00 54.03 H new ATOM 0 HA VAL A 84 -21.279 -28.016 -14.772 1.00 23.25 H new ATOM 0 HB VAL A 84 -20.252 -26.041 -13.846 1.00 51.32 H new ATOM 0 HG11 VAL A 84 -21.792 -24.299 -14.670 1.00 61.40 H new ATOM 0 HG12 VAL A 84 -21.738 -25.707 -15.756 1.00 61.40 H new ATOM 0 HG13 VAL A 84 -23.122 -25.482 -14.661 1.00 61.40 H new ATOM 0 HG21 VAL A 84 -21.416 -24.560 -12.260 1.00 53.43 H new ATOM 0 HG22 VAL A 84 -22.731 -25.750 -12.124 1.00 53.43 H new ATOM 0 HG23 VAL A 84 -21.095 -26.165 -11.562 1.00 53.43 H new ATOM 1312 N GLU A 85 -19.715 -28.614 -12.764 1.00 75.31 N ATOM 1313 CA GLU A 85 -18.988 -29.262 -11.690 1.00 43.42 C ATOM 1314 C GLU A 85 -17.954 -28.318 -11.110 1.00 34.52 C ATOM 1315 O GLU A 85 -16.996 -27.938 -11.785 1.00 11.42 O ATOM 1316 CB GLU A 85 -18.314 -30.555 -12.153 1.00 63.41 C ATOM 1317 CG GLU A 85 -17.490 -31.204 -11.051 1.00 54.13 C ATOM 1318 CD GLU A 85 -16.989 -32.582 -11.411 1.00 20.41 C ATOM 1319 OE1 GLU A 85 -15.975 -32.683 -12.134 1.00 74.32 O ATOM 1320 OE2 GLU A 85 -17.589 -33.570 -10.945 1.00 34.32 O ATOM 0 H GLU A 85 -19.143 -28.341 -13.563 1.00 75.31 H new ATOM 0 HA GLU A 85 -19.713 -29.524 -10.919 1.00 43.42 H new ATOM 0 HB2 GLU A 85 -19.075 -31.256 -12.495 1.00 63.41 H new ATOM 0 HB3 GLU A 85 -17.671 -30.341 -13.007 1.00 63.41 H new ATOM 0 HG2 GLU A 85 -16.638 -30.565 -10.820 1.00 54.13 H new ATOM 0 HG3 GLU A 85 -18.094 -31.270 -10.146 1.00 54.13 H new ATOM 1327 N PRO A 86 -18.157 -27.910 -9.855 1.00 3.35 N ATOM 1328 CA PRO A 86 -17.244 -27.043 -9.141 1.00 74.22 C ATOM 1329 C PRO A 86 -16.227 -27.828 -8.314 1.00 63.22 C ATOM 1330 O PRO A 86 -16.576 -28.472 -7.321 1.00 2.32 O ATOM 1331 CB PRO A 86 -18.188 -26.239 -8.240 1.00 50.20 C ATOM 1332 CG PRO A 86 -19.472 -27.018 -8.159 1.00 4.11 C ATOM 1333 CD PRO A 86 -19.317 -28.240 -9.027 1.00 1.55 C ATOM 0 HA PRO A 86 -16.637 -26.428 -9.805 1.00 74.22 H new ATOM 0 HB2 PRO A 86 -17.755 -26.102 -7.249 1.00 50.20 H new ATOM 0 HB3 PRO A 86 -18.363 -25.245 -8.651 1.00 50.20 H new ATOM 0 HG2 PRO A 86 -19.682 -27.304 -7.128 1.00 4.11 H new ATOM 0 HG3 PRO A 86 -20.311 -26.411 -8.499 1.00 4.11 H new ATOM 0 HD2 PRO A 86 -19.147 -29.138 -8.433 1.00 1.55 H new ATOM 0 HD3 PRO A 86 -20.206 -28.421 -9.631 1.00 1.55 H new ATOM 1341 N LYS A 87 -14.971 -27.791 -8.737 1.00 72.31 N ATOM 1342 CA LYS A 87 -13.911 -28.509 -8.040 1.00 42.41 C ATOM 1343 C LYS A 87 -12.817 -27.540 -7.603 1.00 13.34 C ATOM 1344 O LYS A 87 -12.706 -26.449 -8.146 1.00 54.22 O ATOM 1345 CB LYS A 87 -13.341 -29.613 -8.938 1.00 13.41 C ATOM 1346 CG LYS A 87 -12.550 -29.113 -10.131 1.00 53.22 C ATOM 1347 CD LYS A 87 -12.172 -30.253 -11.071 1.00 51.43 C ATOM 1348 CE LYS A 87 -13.408 -30.882 -11.698 1.00 51.21 C ATOM 1349 NZ LYS A 87 -13.074 -31.984 -12.644 1.00 31.42 N ATOM 0 H LYS A 87 -14.661 -27.272 -9.559 1.00 72.31 H new ATOM 0 HA LYS A 87 -14.326 -28.977 -7.148 1.00 42.41 H new ATOM 0 HB2 LYS A 87 -12.698 -30.256 -8.337 1.00 13.41 H new ATOM 0 HB3 LYS A 87 -14.164 -30.231 -9.298 1.00 13.41 H new ATOM 0 HG2 LYS A 87 -13.138 -28.373 -10.674 1.00 53.22 H new ATOM 0 HG3 LYS A 87 -11.646 -28.611 -9.785 1.00 53.22 H new ATOM 0 HD2 LYS A 87 -11.514 -29.878 -11.855 1.00 51.43 H new ATOM 0 HD3 LYS A 87 -11.614 -31.011 -10.522 1.00 51.43 H new ATOM 0 HE2 LYS A 87 -14.054 -31.268 -10.910 1.00 51.21 H new ATOM 0 HE3 LYS A 87 -13.974 -30.114 -12.226 1.00 51.21 H new ATOM 0 HZ1 LYS A 87 -13.918 -32.570 -12.806 1.00 31.42 H new ATOM 0 HZ2 LYS A 87 -12.754 -31.581 -13.548 1.00 31.42 H new ATOM 0 HZ3 LYS A 87 -12.317 -32.571 -12.239 1.00 31.42 H new ATOM 1363 N ARG A 88 -12.034 -27.930 -6.606 1.00 62.12 N ATOM 1364 CA ARG A 88 -10.953 -27.087 -6.102 1.00 62.41 C ATOM 1365 C ARG A 88 -9.937 -26.819 -7.206 1.00 4.44 C ATOM 1366 O ARG A 88 -9.384 -27.753 -7.792 1.00 22.51 O ATOM 1367 CB ARG A 88 -10.264 -27.760 -4.913 1.00 24.23 C ATOM 1368 CG ARG A 88 -9.988 -26.821 -3.750 1.00 31.11 C ATOM 1369 CD ARG A 88 -11.280 -26.373 -3.091 1.00 54.01 C ATOM 1370 NE ARG A 88 -11.054 -25.630 -1.856 1.00 33.31 N ATOM 1371 CZ ARG A 88 -11.649 -25.916 -0.697 1.00 45.42 C ATOM 1372 NH1 ARG A 88 -12.476 -26.951 -0.603 1.00 24.53 N ATOM 1373 NH2 ARG A 88 -11.406 -25.175 0.375 1.00 52.43 N ATOM 0 H ARG A 88 -12.126 -28.826 -6.128 1.00 62.12 H new ATOM 0 HA ARG A 88 -11.378 -26.139 -5.772 1.00 62.41 H new ATOM 0 HB2 ARG A 88 -10.887 -28.583 -4.563 1.00 24.23 H new ATOM 0 HB3 ARG A 88 -9.322 -28.193 -5.249 1.00 24.23 H new ATOM 0 HG2 ARG A 88 -9.356 -27.322 -3.016 1.00 31.11 H new ATOM 0 HG3 ARG A 88 -9.436 -25.950 -4.104 1.00 31.11 H new ATOM 0 HD2 ARG A 88 -11.841 -25.750 -3.787 1.00 54.01 H new ATOM 0 HD3 ARG A 88 -11.896 -27.247 -2.877 1.00 54.01 H new ATOM 0 HE ARG A 88 -10.403 -24.846 -1.880 1.00 33.31 H new ATOM 0 HH11 ARG A 88 -12.660 -27.533 -1.420 1.00 24.53 H new ATOM 0 HH12 ARG A 88 -12.928 -27.164 0.287 1.00 24.53 H new ATOM 0 HH21 ARG A 88 -10.763 -24.385 0.314 1.00 52.43 H new ATOM 0 HH22 ARG A 88 -11.862 -25.395 1.261 1.00 52.43 H new ATOM 1387 N ALA A 89 -9.703 -25.549 -7.494 1.00 22.31 N ATOM 1388 CA ALA A 89 -8.824 -25.171 -8.585 1.00 53.41 C ATOM 1389 C ALA A 89 -7.363 -25.405 -8.233 1.00 43.21 C ATOM 1390 O ALA A 89 -6.937 -25.193 -7.099 1.00 53.42 O ATOM 1391 CB ALA A 89 -9.048 -23.719 -8.975 1.00 70.31 C ATOM 0 H ALA A 89 -10.110 -24.763 -6.987 1.00 22.31 H new ATOM 0 HA ALA A 89 -9.067 -25.805 -9.437 1.00 53.41 H new ATOM 0 HB1 ALA A 89 -8.380 -23.455 -9.795 1.00 70.31 H new ATOM 0 HB2 ALA A 89 -10.082 -23.583 -9.292 1.00 70.31 H new ATOM 0 HB3 ALA A 89 -8.843 -23.077 -8.119 1.00 70.31 H new ATOM 1397 N VAL A 90 -6.613 -25.882 -9.209 1.00 4.22 N ATOM 1398 CA VAL A 90 -5.175 -26.011 -9.081 1.00 73.02 C ATOM 1399 C VAL A 90 -4.510 -24.696 -9.453 1.00 51.55 C ATOM 1400 O VAL A 90 -5.192 -23.720 -9.756 1.00 41.10 O ATOM 1401 CB VAL A 90 -4.621 -27.138 -9.980 1.00 72.02 C ATOM 1402 CG1 VAL A 90 -5.178 -28.488 -9.557 1.00 12.12 C ATOM 1403 CG2 VAL A 90 -4.928 -26.867 -11.448 1.00 24.31 C ATOM 0 H VAL A 90 -6.982 -26.189 -10.109 1.00 4.22 H new ATOM 0 HA VAL A 90 -4.953 -26.265 -8.045 1.00 73.02 H new ATOM 0 HB VAL A 90 -3.538 -27.161 -9.860 1.00 72.02 H new ATOM 0 HG11 VAL A 90 -4.774 -29.267 -10.204 1.00 12.12 H new ATOM 0 HG12 VAL A 90 -4.895 -28.691 -8.524 1.00 12.12 H new ATOM 0 HG13 VAL A 90 -6.265 -28.475 -9.639 1.00 12.12 H new ATOM 0 HG21 VAL A 90 -4.527 -27.676 -12.059 1.00 24.31 H new ATOM 0 HG22 VAL A 90 -6.007 -26.807 -11.589 1.00 24.31 H new ATOM 0 HG23 VAL A 90 -4.470 -25.924 -11.748 1.00 24.31 H new