USER MOD reduce.3.24.130724 H: found=0, std=0, add=1000, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 847 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 12 THR OG1 : rot -50:sc= 0.0716! USER MOD Set 1.2: A 137 MET CE :methyl 144:sc= -5.33! (180deg=-9.45!) USER MOD Set 2.1: A 80 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 83 GLN :FLIP amide:sc= -3.36! C(o=-7.2!,f=-3.4!) USER MOD Set 3.1: A 74 MET CE :methyl -115:sc= -10.4! (180deg=-17.9!) USER MOD Set 3.2: A 92 MET CE :methyl 169:sc= -4.1! (180deg=-4.3!) USER MOD Set 4.1: A 58 SER OG : rot 11:sc= 0.00683 USER MOD Set 4.2: A 61 CYS SG : rot -62:sc= -0.863! USER MOD Set 5.1: A 19 TYR OH : rot -15:sc= -0.872 USER MOD Set 5.2: A 23 CYS SG : rot 112:sc= 0.411 USER MOD Set 5.3: A 50 GLN : amide:sc= -4.38! C(o=-5.5!,f=-10!) USER MOD Set 5.4: A 99 THR OG1 : rot 39:sc= -0.644 USER MOD Single : A 17 SER OG : rot 99:sc= 1.13 USER MOD Single : A 36 SER OG : rot -160:sc= -1.46 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 67:sc= -2.32! USER MOD Single : A 48 GLN :FLIP amide:sc= -2 F(o=-8.3!,f=-2) USER MOD Single : A 51 GLN :FLIP amide:sc= 0 F(o=-0.79,f=0) USER MOD Single : A 53 HIS :FLIP no HE2:sc= -5.18 F(o=-6.9!,f=-5.2) USER MOD Single : A 54 GLN :FLIP amide:sc= -0.168 F(o=-1.5!,f=-0.17) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -7.58! C(o=-7.6!,f=-14!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -1.3! K(o=-1.3!,f=-2.5) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.222) USER MOD Single : A 86 SER OG : rot 180:sc= -0.106 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -1.55 K(o=-1.6,f=-6.9!) USER MOD Single : A 101 MET CE :methyl -165:sc= -6.38! (180deg=-7.14!) USER MOD Single : A 102 ASN :FLIP amide:sc= -1.25! C(o=-2.3!,f=-1.2!) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 CYS SG : rot 180:sc= -0.137 USER MOD Single : A 126 CYS SG : rot 180:sc= 0 USER MOD Single : A 130 ASN : amide:sc= -0.302 X(o=-0.3,f=0) USER MOD Single : A 133 TYR OH : rot 180:sc= 0 USER MOD Single : A 134 ASN : amide:sc= 1.11 K(o=1.1,f=0) USER MOD Single : A 141 HIS : no HE2:sc= -7.8! C(o=-7.8!,f=-12!) USER MOD Single : A 155 CYS SG : rot -46:sc= 0.426 USER MOD Single : A 159 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 160 ASN : amide:sc= -0.604 K(o=-0.6,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 173 N GLU A 10 11.089 -1.637 -12.930 1.00 4.53 N ATOM 174 CA GLU A 10 12.393 -2.014 -13.464 1.00 2.20 C ATOM 175 C GLU A 10 13.454 -0.986 -13.082 1.00 23.24 C ATOM 176 O GLU A 10 14.653 -1.256 -13.166 1.00 45.13 O ATOM 177 CB GLU A 10 12.325 -2.152 -14.986 1.00 2.34 C ATOM 178 CG GLU A 10 13.666 -1.969 -15.674 1.00 60.44 C ATOM 179 CD GLU A 10 14.713 -2.951 -15.183 1.00 0.44 C ATOM 180 OE1 GLU A 10 14.551 -3.478 -14.062 1.00 31.34 O ATOM 181 OE2 GLU A 10 15.692 -3.193 -15.920 1.00 54.44 O ATOM 0 HA GLU A 10 12.671 -2.975 -13.032 1.00 2.20 H new ATOM 0 HB2 GLU A 10 11.929 -3.137 -15.236 1.00 2.34 H new ATOM 0 HB3 GLU A 10 11.622 -1.417 -15.378 1.00 2.34 H new ATOM 0 HG2 GLU A 10 13.537 -2.089 -16.750 1.00 60.44 H new ATOM 0 HG3 GLU A 10 14.020 -0.952 -15.506 1.00 60.44 H new ATOM 186 N ARG A 11 13.005 0.193 -12.664 1.00 0.22 N ATOM 187 CA ARG A 11 13.916 1.261 -12.271 1.00 12.22 C ATOM 188 C ARG A 11 14.648 0.906 -10.980 1.00 11.03 C ATOM 189 O ARG A 11 15.851 1.130 -10.854 1.00 71.23 O ATOM 190 CB ARG A 11 13.149 2.573 -12.091 1.00 11.53 C ATOM 191 CG ARG A 11 13.144 3.452 -13.331 1.00 62.12 C ATOM 192 CD ARG A 11 12.899 2.636 -14.591 1.00 70.21 C ATOM 193 NE ARG A 11 12.631 3.485 -15.749 1.00 53.42 N ATOM 194 CZ ARG A 11 11.534 4.222 -15.881 1.00 2.12 C ATOM 195 NH1 ARG A 11 10.608 4.215 -14.932 1.00 25.35 N ATOM 196 NH2 ARG A 11 11.362 4.969 -16.964 1.00 20.04 N ATOM 0 H ARG A 11 12.016 0.433 -12.589 1.00 0.22 H new ATOM 0 HA ARG A 11 14.654 1.384 -13.064 1.00 12.22 H new ATOM 0 HB2 ARG A 11 12.120 2.347 -11.812 1.00 11.53 H new ATOM 0 HB3 ARG A 11 13.588 3.130 -11.263 1.00 11.53 H new ATOM 0 HG2 ARG A 11 12.372 4.215 -13.234 1.00 62.12 H new ATOM 0 HG3 ARG A 11 14.098 3.973 -13.413 1.00 62.12 H new ATOM 0 HD2 ARG A 11 13.769 2.011 -14.793 1.00 70.21 H new ATOM 0 HD3 ARG A 11 12.055 1.965 -14.430 1.00 70.21 H new ATOM 0 HE ARG A 11 13.324 3.513 -16.497 1.00 53.42 H new ATOM 0 HH11 ARG A 11 10.737 3.643 -14.098 1.00 25.35 H new ATOM 0 HH12 ARG A 11 9.767 4.782 -15.036 1.00 25.35 H new ATOM 0 HH21 ARG A 11 12.072 4.977 -17.696 1.00 20.04 H new ATOM 0 HH22 ARG A 11 10.519 5.535 -17.065 1.00 20.04 H new ATOM 207 N THR A 12 13.911 0.349 -10.023 1.00 74.43 N ATOM 208 CA THR A 12 14.489 -0.036 -8.742 1.00 22.30 C ATOM 209 C THR A 12 15.247 -1.354 -8.854 1.00 2.12 C ATOM 210 O THR A 12 16.329 -1.509 -8.287 1.00 31.05 O ATOM 211 CB THR A 12 13.406 -0.171 -7.656 1.00 50.44 C ATOM 212 OG1 THR A 12 12.796 1.101 -7.411 1.00 13.41 O ATOM 213 CG2 THR A 12 14.000 -0.710 -6.363 1.00 22.00 C ATOM 0 H THR A 12 12.914 0.155 -10.112 1.00 74.43 H new ATOM 0 HA THR A 12 15.182 0.755 -8.458 1.00 22.30 H new ATOM 0 HB THR A 12 12.652 -0.873 -8.012 1.00 50.44 H new ATOM 0 HG1 THR A 12 13.492 1.774 -7.261 1.00 13.41 H new ATOM 0 HG21 THR A 12 13.216 -0.797 -5.611 1.00 22.00 H new ATOM 0 HG22 THR A 12 14.438 -1.691 -6.545 1.00 22.00 H new ATOM 0 HG23 THR A 12 14.772 -0.029 -6.005 1.00 22.00 H new ATOM 221 N ARG A 13 14.672 -2.301 -9.589 1.00 75.22 N ATOM 222 CA ARG A 13 15.294 -3.606 -9.776 1.00 43.04 C ATOM 223 C ARG A 13 16.640 -3.472 -10.482 1.00 2.45 C ATOM 224 O ARG A 13 17.631 -4.075 -10.070 1.00 32.33 O ATOM 225 CB ARG A 13 14.373 -4.523 -10.581 1.00 1.32 C ATOM 226 CG ARG A 13 14.924 -5.927 -10.772 1.00 74.10 C ATOM 227 CD ARG A 13 14.410 -6.877 -9.703 1.00 24.33 C ATOM 228 NE ARG A 13 12.952 -6.913 -9.658 1.00 1.45 N ATOM 229 CZ ARG A 13 12.202 -7.521 -10.571 1.00 43.23 C ATOM 230 NH1 ARG A 13 12.772 -8.143 -11.594 1.00 11.41 N ATOM 231 NH2 ARG A 13 10.879 -7.510 -10.461 1.00 73.10 N ATOM 0 H ARG A 13 13.777 -2.188 -10.064 1.00 75.22 H new ATOM 0 HA ARG A 13 15.462 -4.044 -8.792 1.00 43.04 H new ATOM 0 HB2 ARG A 13 13.408 -4.586 -10.078 1.00 1.32 H new ATOM 0 HB3 ARG A 13 14.194 -4.076 -11.559 1.00 1.32 H new ATOM 0 HG2 ARG A 13 14.642 -6.299 -11.757 1.00 74.10 H new ATOM 0 HG3 ARG A 13 16.013 -5.899 -10.742 1.00 74.10 H new ATOM 0 HD2 ARG A 13 14.791 -7.880 -9.896 1.00 24.33 H new ATOM 0 HD3 ARG A 13 14.795 -6.571 -8.730 1.00 24.33 H new ATOM 0 HE ARG A 13 12.482 -6.445 -8.883 1.00 1.45 H new ATOM 0 HH11 ARG A 13 13.788 -8.155 -11.681 1.00 11.41 H new ATOM 0 HH12 ARG A 13 12.194 -8.609 -12.294 1.00 11.41 H new ATOM 0 HH21 ARG A 13 10.437 -7.034 -9.675 1.00 73.10 H new ATOM 0 HH22 ARG A 13 10.305 -7.977 -11.163 1.00 73.10 H new ATOM 242 N ARG A 14 16.666 -2.678 -11.547 1.00 70.33 N ATOM 243 CA ARG A 14 17.889 -2.465 -12.312 1.00 22.40 C ATOM 244 C ARG A 14 18.936 -1.738 -11.473 1.00 63.40 C ATOM 245 O ARG A 14 20.105 -2.126 -11.447 1.00 44.24 O ATOM 246 CB ARG A 14 17.591 -1.664 -13.580 1.00 31.12 C ATOM 247 CG ARG A 14 17.090 -0.256 -13.307 1.00 41.44 C ATOM 248 CD ARG A 14 18.242 0.715 -13.100 1.00 54.43 C ATOM 249 NE ARG A 14 18.504 1.515 -14.293 1.00 12.41 N ATOM 250 CZ ARG A 14 17.790 2.582 -14.634 1.00 13.52 C ATOM 251 NH1 ARG A 14 16.775 2.974 -13.876 1.00 52.23 N ATOM 252 NH2 ARG A 14 18.090 3.260 -15.735 1.00 24.20 N ATOM 0 H ARG A 14 15.854 -2.171 -11.900 1.00 70.33 H new ATOM 0 HA ARG A 14 18.286 -3.441 -12.592 1.00 22.40 H new ATOM 0 HB2 ARG A 14 18.496 -1.608 -14.185 1.00 31.12 H new ATOM 0 HB3 ARG A 14 16.846 -2.198 -14.170 1.00 31.12 H new ATOM 0 HG2 ARG A 14 16.475 0.081 -14.141 1.00 41.44 H new ATOM 0 HG3 ARG A 14 16.453 -0.260 -12.422 1.00 41.44 H new ATOM 0 HD2 ARG A 14 18.014 1.375 -12.264 1.00 54.43 H new ATOM 0 HD3 ARG A 14 19.141 0.160 -12.831 1.00 54.43 H new ATOM 0 HE ARG A 14 19.278 1.239 -14.898 1.00 12.41 H new ATOM 0 HH11 ARG A 14 16.541 2.456 -13.029 1.00 52.23 H new ATOM 0 HH12 ARG A 14 16.228 3.794 -14.140 1.00 52.23 H new ATOM 0 HH21 ARG A 14 18.870 2.962 -16.321 1.00 24.20 H new ATOM 0 HH22 ARG A 14 17.541 4.079 -15.995 1.00 24.20 H new ATOM 263 N LEU A 15 18.509 -0.683 -10.789 1.00 1.41 N ATOM 264 CA LEU A 15 19.409 0.099 -9.949 1.00 53.20 C ATOM 265 C LEU A 15 19.962 -0.748 -8.807 1.00 74.32 C ATOM 266 O LEU A 15 21.175 -0.817 -8.602 1.00 54.33 O ATOM 267 CB LEU A 15 18.681 1.321 -9.386 1.00 43.32 C ATOM 268 CG LEU A 15 18.853 1.573 -7.887 1.00 13.11 C ATOM 269 CD1 LEU A 15 20.323 1.753 -7.542 1.00 5.52 C ATOM 270 CD2 LEU A 15 18.048 2.791 -7.456 1.00 75.24 C ATOM 0 H LEU A 15 17.545 -0.349 -10.799 1.00 1.41 H new ATOM 0 HA LEU A 15 20.243 0.433 -10.566 1.00 53.20 H new ATOM 0 HB2 LEU A 15 19.025 2.204 -9.924 1.00 43.32 H new ATOM 0 HB3 LEU A 15 17.617 1.214 -9.596 1.00 43.32 H new ATOM 0 HG LEU A 15 18.478 0.704 -7.346 1.00 13.11 H new ATOM 0 HD11 LEU A 15 20.426 1.931 -6.472 1.00 5.52 H new ATOM 0 HD12 LEU A 15 20.874 0.853 -7.815 1.00 5.52 H new ATOM 0 HD13 LEU A 15 20.724 2.604 -8.092 1.00 5.52 H new ATOM 0 HD21 LEU A 15 18.182 2.956 -6.387 1.00 75.24 H new ATOM 0 HD22 LEU A 15 18.393 3.668 -8.004 1.00 75.24 H new ATOM 0 HD23 LEU A 15 16.992 2.623 -7.668 1.00 75.24 H new ATOM 281 N LEU A 16 19.067 -1.394 -8.068 1.00 11.34 N ATOM 282 CA LEU A 16 19.465 -2.239 -6.948 1.00 35.34 C ATOM 283 C LEU A 16 20.394 -3.357 -7.413 1.00 12.42 C ATOM 284 O LEU A 16 21.473 -3.553 -6.854 1.00 35.33 O ATOM 285 CB LEU A 16 18.231 -2.835 -6.270 1.00 42.42 C ATOM 286 CG LEU A 16 17.687 -2.063 -5.067 1.00 74.05 C ATOM 287 CD1 LEU A 16 17.391 -0.621 -5.447 1.00 25.15 C ATOM 288 CD2 LEU A 16 16.441 -2.740 -4.517 1.00 4.24 C ATOM 0 H LEU A 16 18.060 -1.349 -8.224 1.00 11.34 H new ATOM 0 HA LEU A 16 20.003 -1.620 -6.230 1.00 35.34 H new ATOM 0 HB2 LEU A 16 17.437 -2.917 -7.013 1.00 42.42 H new ATOM 0 HB3 LEU A 16 18.472 -3.848 -5.948 1.00 42.42 H new ATOM 0 HG LEU A 16 18.448 -2.061 -4.287 1.00 74.05 H new ATOM 0 HD11 LEU A 16 17.005 -0.088 -4.578 1.00 25.15 H new ATOM 0 HD12 LEU A 16 18.307 -0.140 -5.791 1.00 25.15 H new ATOM 0 HD13 LEU A 16 16.649 -0.600 -6.245 1.00 25.15 H new ATOM 0 HD21 LEU A 16 16.068 -2.177 -3.662 1.00 4.24 H new ATOM 0 HD22 LEU A 16 15.674 -2.775 -5.291 1.00 4.24 H new ATOM 0 HD23 LEU A 16 16.686 -3.755 -4.204 1.00 4.24 H new ATOM 299 N SER A 17 19.968 -4.085 -8.440 1.00 4.54 N ATOM 300 CA SER A 17 20.759 -5.183 -8.978 1.00 21.44 C ATOM 301 C SER A 17 22.092 -4.677 -9.523 1.00 42.11 C ATOM 302 O SER A 17 23.107 -5.368 -9.450 1.00 24.50 O ATOM 303 CB SER A 17 19.985 -5.904 -10.084 1.00 35.30 C ATOM 304 OG SER A 17 18.735 -6.373 -9.609 1.00 11.32 O ATOM 0 H SER A 17 19.079 -3.933 -8.916 1.00 4.54 H new ATOM 0 HA SER A 17 20.959 -5.884 -8.168 1.00 21.44 H new ATOM 0 HB2 SER A 17 19.828 -5.226 -10.923 1.00 35.30 H new ATOM 0 HB3 SER A 17 20.574 -6.742 -10.457 1.00 35.30 H new ATOM 0 HG SER A 17 18.029 -5.745 -9.871 1.00 11.32 H new ATOM 309 N ASP A 18 22.079 -3.465 -10.068 1.00 3.12 N ATOM 310 CA ASP A 18 23.285 -2.865 -10.623 1.00 13.12 C ATOM 311 C ASP A 18 24.391 -2.798 -9.576 1.00 73.15 C ATOM 312 O ASP A 18 25.536 -3.165 -9.843 1.00 53.24 O ATOM 313 CB ASP A 18 22.983 -1.462 -11.155 1.00 74.24 C ATOM 314 CG ASP A 18 24.231 -0.608 -11.274 1.00 2.33 C ATOM 315 OD1 ASP A 18 25.115 -0.956 -12.085 1.00 44.40 O ATOM 316 OD2 ASP A 18 24.322 0.410 -10.557 1.00 54.21 O ATOM 0 H ASP A 18 21.246 -2.880 -10.137 1.00 3.12 H new ATOM 0 HA ASP A 18 23.627 -3.492 -11.446 1.00 13.12 H new ATOM 0 HB2 ASP A 18 22.506 -1.542 -12.132 1.00 74.24 H new ATOM 0 HB3 ASP A 18 22.271 -0.970 -10.492 1.00 74.24 H new ATOM 320 N TYR A 19 24.043 -2.326 -8.384 1.00 22.30 N ATOM 321 CA TYR A 19 25.007 -2.209 -7.296 1.00 13.34 C ATOM 322 C TYR A 19 25.570 -3.575 -6.916 1.00 51.31 C ATOM 323 O TYR A 19 26.771 -3.721 -6.687 1.00 22.44 O ATOM 324 CB TYR A 19 24.354 -1.556 -6.077 1.00 20.10 C ATOM 325 CG TYR A 19 25.292 -1.395 -4.902 1.00 64.25 C ATOM 326 CD1 TYR A 19 26.292 -0.431 -4.912 1.00 1.33 C ATOM 327 CD2 TYR A 19 25.178 -2.209 -3.781 1.00 55.12 C ATOM 328 CE1 TYR A 19 27.152 -0.281 -3.841 1.00 41.31 C ATOM 329 CE2 TYR A 19 26.033 -2.066 -2.705 1.00 54.21 C ATOM 330 CZ TYR A 19 27.018 -1.100 -2.739 1.00 2.15 C ATOM 331 OH TYR A 19 27.871 -0.955 -1.671 1.00 44.44 O ATOM 0 H TYR A 19 23.100 -2.018 -8.147 1.00 22.30 H new ATOM 0 HA TYR A 19 25.829 -1.581 -7.639 1.00 13.34 H new ATOM 0 HB2 TYR A 19 23.970 -0.576 -6.362 1.00 20.10 H new ATOM 0 HB3 TYR A 19 23.498 -2.156 -5.768 1.00 20.10 H new ATOM 0 HD1 TYR A 19 26.399 0.213 -5.772 1.00 1.33 H new ATOM 0 HD2 TYR A 19 24.408 -2.966 -3.751 1.00 55.12 H new ATOM 0 HE1 TYR A 19 27.925 0.473 -3.866 1.00 41.31 H new ATOM 0 HE2 TYR A 19 25.931 -2.707 -1.842 1.00 54.21 H new ATOM 0 HH TYR A 19 28.643 -0.414 -1.940 1.00 44.44 H new ATOM 340 N ILE A 20 24.693 -4.571 -6.852 1.00 34.20 N ATOM 341 CA ILE A 20 25.102 -5.926 -6.502 1.00 14.31 C ATOM 342 C ILE A 20 26.287 -6.378 -7.347 1.00 53.04 C ATOM 343 O ILE A 20 27.255 -6.937 -6.829 1.00 21.50 O ATOM 344 CB ILE A 20 23.945 -6.927 -6.682 1.00 13.01 C ATOM 345 CG1 ILE A 20 22.639 -6.330 -6.155 1.00 24.32 C ATOM 346 CG2 ILE A 20 24.261 -8.234 -5.972 1.00 42.11 C ATOM 347 CD1 ILE A 20 22.754 -5.760 -4.758 1.00 24.34 C ATOM 0 H ILE A 20 23.696 -4.466 -7.038 1.00 34.20 H new ATOM 0 HA ILE A 20 25.395 -5.906 -5.452 1.00 14.31 H new ATOM 0 HB ILE A 20 23.825 -7.134 -7.745 1.00 13.01 H new ATOM 0 HG12 ILE A 20 22.309 -5.543 -6.833 1.00 24.32 H new ATOM 0 HG13 ILE A 20 21.868 -7.101 -6.162 1.00 24.32 H new ATOM 0 HG21 ILE A 20 23.434 -8.931 -6.108 1.00 42.11 H new ATOM 0 HG22 ILE A 20 25.171 -8.664 -6.390 1.00 42.11 H new ATOM 0 HG23 ILE A 20 24.404 -8.045 -4.908 1.00 42.11 H new ATOM 0 HD11 ILE A 20 21.790 -5.354 -4.450 1.00 24.34 H new ATOM 0 HD12 ILE A 20 23.054 -6.548 -4.067 1.00 24.34 H new ATOM 0 HD13 ILE A 20 23.501 -4.966 -4.749 1.00 24.34 H new ATOM 358 N PHE A 21 26.206 -6.131 -8.650 1.00 65.43 N ATOM 359 CA PHE A 21 27.274 -6.512 -9.568 1.00 3.44 C ATOM 360 C PHE A 21 28.578 -5.806 -9.209 1.00 31.22 C ATOM 361 O PHE A 21 29.639 -6.428 -9.156 1.00 61.10 O ATOM 362 CB PHE A 21 26.879 -6.179 -11.008 1.00 63.10 C ATOM 363 CG PHE A 21 25.954 -7.188 -11.625 1.00 20.02 C ATOM 364 CD1 PHE A 21 25.349 -8.162 -10.846 1.00 75.25 C ATOM 365 CD2 PHE A 21 25.688 -7.163 -12.985 1.00 61.41 C ATOM 366 CE1 PHE A 21 24.497 -9.092 -11.411 1.00 71.21 C ATOM 367 CE2 PHE A 21 24.835 -8.090 -13.555 1.00 73.44 C ATOM 368 CZ PHE A 21 24.241 -9.056 -12.767 1.00 31.05 C ATOM 0 H PHE A 21 25.413 -5.669 -9.094 1.00 65.43 H new ATOM 0 HA PHE A 21 27.429 -7.587 -9.480 1.00 3.44 H new ATOM 0 HB2 PHE A 21 26.401 -5.200 -11.028 1.00 63.10 H new ATOM 0 HB3 PHE A 21 27.781 -6.105 -11.616 1.00 63.10 H new ATOM 0 HD1 PHE A 21 25.546 -8.194 -9.785 1.00 75.25 H new ATOM 0 HD2 PHE A 21 26.152 -6.411 -13.606 1.00 61.41 H new ATOM 0 HE1 PHE A 21 24.032 -9.846 -10.793 1.00 71.21 H new ATOM 0 HE2 PHE A 21 24.633 -8.059 -14.616 1.00 73.44 H new ATOM 0 HZ PHE A 21 23.577 -9.783 -13.211 1.00 31.05 H new ATOM 377 N PHE A 22 28.490 -4.503 -8.965 1.00 52.52 N ATOM 378 CA PHE A 22 29.662 -3.710 -8.613 1.00 62.24 C ATOM 379 C PHE A 22 30.308 -4.233 -7.333 1.00 24.51 C ATOM 380 O PHE A 22 31.519 -4.111 -7.140 1.00 1.42 O ATOM 381 CB PHE A 22 29.277 -2.240 -8.438 1.00 3.21 C ATOM 382 CG PHE A 22 30.163 -1.498 -7.480 1.00 41.32 C ATOM 383 CD1 PHE A 22 30.163 -1.812 -6.129 1.00 21.52 C ATOM 384 CD2 PHE A 22 30.998 -0.486 -7.927 1.00 11.44 C ATOM 385 CE1 PHE A 22 30.977 -1.130 -5.245 1.00 2.04 C ATOM 386 CE2 PHE A 22 31.814 0.199 -7.048 1.00 54.31 C ATOM 387 CZ PHE A 22 31.804 -0.124 -5.705 1.00 52.52 C ATOM 0 H PHE A 22 27.619 -3.974 -9.005 1.00 52.52 H new ATOM 0 HA PHE A 22 30.384 -3.795 -9.425 1.00 62.24 H new ATOM 0 HB2 PHE A 22 29.311 -1.746 -9.409 1.00 3.21 H new ATOM 0 HB3 PHE A 22 28.247 -2.182 -8.087 1.00 3.21 H new ATOM 0 HD1 PHE A 22 29.519 -2.599 -5.764 1.00 21.52 H new ATOM 0 HD2 PHE A 22 31.011 -0.230 -8.976 1.00 11.44 H new ATOM 0 HE1 PHE A 22 30.967 -1.383 -4.195 1.00 2.04 H new ATOM 0 HE2 PHE A 22 32.459 0.986 -7.410 1.00 54.31 H new ATOM 0 HZ PHE A 22 32.442 0.409 -5.016 1.00 52.52 H new ATOM 396 N CYS A 23 29.493 -4.817 -6.462 1.00 63.03 N ATOM 397 CA CYS A 23 29.983 -5.359 -5.199 1.00 12.22 C ATOM 398 C CYS A 23 30.504 -6.781 -5.383 1.00 34.42 C ATOM 399 O CYS A 23 31.116 -7.350 -4.480 1.00 3.41 O ATOM 400 CB CYS A 23 28.873 -5.342 -4.148 1.00 12.14 C ATOM 401 SG CYS A 23 28.770 -3.801 -3.207 1.00 70.55 S ATOM 0 H CYS A 23 28.489 -4.928 -6.607 1.00 63.03 H new ATOM 0 HA CYS A 23 30.806 -4.731 -4.858 1.00 12.22 H new ATOM 0 HB2 CYS A 23 27.917 -5.518 -4.642 1.00 12.14 H new ATOM 0 HB3 CYS A 23 29.031 -6.168 -3.455 1.00 12.14 H new ATOM 0 HG CYS A 23 27.668 -3.181 -3.510 1.00 70.55 H new ATOM 406 N ALA A 24 30.258 -7.348 -6.559 1.00 52.12 N ATOM 407 CA ALA A 24 30.703 -8.703 -6.862 1.00 30.12 C ATOM 408 C ALA A 24 32.075 -8.694 -7.528 1.00 41.51 C ATOM 409 O ALA A 24 32.486 -9.683 -8.135 1.00 12.10 O ATOM 410 CB ALA A 24 29.687 -9.405 -7.751 1.00 62.43 C ATOM 0 H ALA A 24 29.753 -6.890 -7.318 1.00 52.12 H new ATOM 0 HA ALA A 24 30.788 -9.250 -5.923 1.00 30.12 H new ATOM 0 HB1 ALA A 24 30.032 -10.416 -7.970 1.00 62.43 H new ATOM 0 HB2 ALA A 24 28.726 -9.452 -7.238 1.00 62.43 H new ATOM 0 HB3 ALA A 24 29.574 -8.851 -8.683 1.00 62.43 H new ATOM 557 N SER A 36 22.444 4.084 -13.891 1.00 72.13 N ATOM 558 CA SER A 36 21.492 5.188 -13.914 1.00 33.22 C ATOM 559 C SER A 36 21.917 6.291 -12.947 1.00 21.44 C ATOM 560 O SER A 36 22.954 6.193 -12.293 1.00 71.25 O ATOM 561 CB SER A 36 20.092 4.690 -13.554 1.00 23.32 C ATOM 562 OG SER A 36 19.116 5.237 -14.424 1.00 73.21 O ATOM 0 HA SER A 36 21.474 5.600 -14.923 1.00 33.22 H new ATOM 0 HB2 SER A 36 20.064 3.602 -13.610 1.00 23.32 H new ATOM 0 HB3 SER A 36 19.859 4.962 -12.525 1.00 23.32 H new ATOM 0 HG SER A 36 18.232 5.174 -14.005 1.00 73.21 H new ATOM 567 N VAL A 37 21.105 7.340 -12.865 1.00 43.34 N ATOM 568 CA VAL A 37 21.394 8.461 -11.979 1.00 21.12 C ATOM 569 C VAL A 37 21.426 8.016 -10.522 1.00 44.23 C ATOM 570 O VAL A 37 22.400 8.259 -9.809 1.00 64.20 O ATOM 571 CB VAL A 37 20.353 9.585 -12.138 1.00 40.31 C ATOM 572 CG1 VAL A 37 20.958 10.931 -11.770 1.00 31.31 C ATOM 573 CG2 VAL A 37 19.805 9.607 -13.557 1.00 74.41 C ATOM 0 H VAL A 37 20.243 7.437 -13.401 1.00 43.34 H new ATOM 0 HA VAL A 37 22.375 8.842 -12.261 1.00 21.12 H new ATOM 0 HB VAL A 37 19.525 9.388 -11.456 1.00 40.31 H new ATOM 0 HG11 VAL A 37 20.207 11.712 -11.889 1.00 31.31 H new ATOM 0 HG12 VAL A 37 21.296 10.907 -10.734 1.00 31.31 H new ATOM 0 HG13 VAL A 37 21.805 11.140 -12.423 1.00 31.31 H new ATOM 0 HG21 VAL A 37 19.071 10.407 -13.651 1.00 74.41 H new ATOM 0 HG22 VAL A 37 20.621 9.778 -14.259 1.00 74.41 H new ATOM 0 HG23 VAL A 37 19.330 8.651 -13.779 1.00 74.41 H new ATOM 583 N GLU A 38 20.354 7.361 -10.084 1.00 74.15 N ATOM 584 CA GLU A 38 20.260 6.882 -8.710 1.00 31.12 C ATOM 585 C GLU A 38 21.334 5.836 -8.424 1.00 54.14 C ATOM 586 O GLU A 38 21.769 5.675 -7.285 1.00 62.54 O ATOM 587 CB GLU A 38 18.874 6.289 -8.447 1.00 71.31 C ATOM 588 CG GLU A 38 18.226 5.686 -9.682 1.00 10.11 C ATOM 589 CD GLU A 38 17.420 6.699 -10.471 1.00 32.14 C ATOM 590 OE1 GLU A 38 17.758 7.900 -10.415 1.00 65.13 O ATOM 591 OE2 GLU A 38 16.450 6.292 -11.146 1.00 61.15 O ATOM 0 H GLU A 38 19.540 7.150 -10.661 1.00 74.15 H new ATOM 0 HA GLU A 38 20.417 7.731 -8.045 1.00 31.12 H new ATOM 0 HB2 GLU A 38 18.957 5.521 -7.678 1.00 71.31 H new ATOM 0 HB3 GLU A 38 18.224 7.069 -8.050 1.00 71.31 H new ATOM 0 HG2 GLU A 38 18.999 5.263 -10.324 1.00 10.11 H new ATOM 0 HG3 GLU A 38 17.576 4.864 -9.382 1.00 10.11 H new ATOM 596 N ALA A 39 21.758 5.130 -9.468 1.00 3.33 N ATOM 597 CA ALA A 39 22.781 4.102 -9.329 1.00 74.40 C ATOM 598 C ALA A 39 24.152 4.723 -9.083 1.00 64.42 C ATOM 599 O ALA A 39 24.958 4.189 -8.321 1.00 4.01 O ATOM 600 CB ALA A 39 22.814 3.220 -10.569 1.00 63.34 C ATOM 0 H ALA A 39 21.408 5.252 -10.418 1.00 3.33 H new ATOM 0 HA ALA A 39 22.529 3.487 -8.465 1.00 74.40 H new ATOM 0 HB1 ALA A 39 23.583 2.456 -10.452 1.00 63.34 H new ATOM 0 HB2 ALA A 39 21.844 2.741 -10.701 1.00 63.34 H new ATOM 0 HB3 ALA A 39 23.039 3.830 -11.444 1.00 63.34 H new ATOM 606 N ALA A 40 24.411 5.852 -9.734 1.00 41.23 N ATOM 607 CA ALA A 40 25.684 6.545 -9.584 1.00 52.13 C ATOM 608 C ALA A 40 25.831 7.127 -8.182 1.00 53.42 C ATOM 609 O ALA A 40 26.904 7.058 -7.579 1.00 44.41 O ATOM 610 CB ALA A 40 25.814 7.644 -10.629 1.00 62.13 C ATOM 0 H ALA A 40 23.756 6.306 -10.370 1.00 41.23 H new ATOM 0 HA ALA A 40 26.483 5.819 -9.734 1.00 52.13 H new ATOM 0 HB1 ALA A 40 26.770 8.153 -10.505 1.00 62.13 H new ATOM 0 HB2 ALA A 40 25.763 7.206 -11.626 1.00 62.13 H new ATOM 0 HB3 ALA A 40 25.002 8.361 -10.506 1.00 62.13 H new ATOM 616 N LEU A 41 24.749 7.701 -7.668 1.00 21.11 N ATOM 617 CA LEU A 41 24.758 8.296 -6.336 1.00 41.10 C ATOM 618 C LEU A 41 25.200 7.280 -5.288 1.00 10.01 C ATOM 619 O LEU A 41 26.135 7.525 -4.525 1.00 32.32 O ATOM 620 CB LEU A 41 23.369 8.833 -5.987 1.00 1.32 C ATOM 621 CG LEU A 41 23.334 10.120 -5.162 1.00 61.25 C ATOM 622 CD1 LEU A 41 24.573 10.226 -4.286 1.00 62.33 C ATOM 623 CD2 LEU A 41 23.217 11.334 -6.072 1.00 51.34 C ATOM 0 H LEU A 41 23.854 7.767 -8.153 1.00 21.11 H new ATOM 0 HA LEU A 41 25.471 9.121 -6.339 1.00 41.10 H new ATOM 0 HB2 LEU A 41 22.824 9.005 -6.915 1.00 1.32 H new ATOM 0 HB3 LEU A 41 22.830 8.060 -5.440 1.00 1.32 H new ATOM 0 HG LEU A 41 22.457 10.090 -4.515 1.00 61.25 H new ATOM 0 HD11 LEU A 41 24.531 11.148 -3.706 1.00 62.33 H new ATOM 0 HD12 LEU A 41 24.614 9.373 -3.609 1.00 62.33 H new ATOM 0 HD13 LEU A 41 25.463 10.233 -4.915 1.00 62.33 H new ATOM 0 HD21 LEU A 41 23.193 12.241 -5.468 1.00 51.34 H new ATOM 0 HD22 LEU A 41 24.074 11.368 -6.745 1.00 51.34 H new ATOM 0 HD23 LEU A 41 22.300 11.264 -6.656 1.00 51.34 H new ATOM 634 N LEU A 42 24.524 6.137 -5.258 1.00 0.34 N ATOM 635 CA LEU A 42 24.848 5.080 -4.305 1.00 13.41 C ATOM 636 C LEU A 42 26.338 4.758 -4.337 1.00 22.32 C ATOM 637 O LEU A 42 26.994 4.700 -3.297 1.00 2.22 O ATOM 638 CB LEU A 42 24.034 3.823 -4.611 1.00 30.55 C ATOM 639 CG LEU A 42 22.593 3.813 -4.100 1.00 50.12 C ATOM 640 CD1 LEU A 42 22.408 4.856 -3.008 1.00 32.40 C ATOM 641 CD2 LEU A 42 21.619 4.057 -5.243 1.00 1.20 C ATOM 0 H LEU A 42 23.748 5.918 -5.883 1.00 0.34 H new ATOM 0 HA LEU A 42 24.593 5.434 -3.306 1.00 13.41 H new ATOM 0 HB2 LEU A 42 24.016 3.681 -5.692 1.00 30.55 H new ATOM 0 HB3 LEU A 42 24.555 2.965 -4.185 1.00 30.55 H new ATOM 0 HG LEU A 42 22.385 2.831 -3.676 1.00 50.12 H new ATOM 0 HD11 LEU A 42 21.377 4.835 -2.656 1.00 32.40 H new ATOM 0 HD12 LEU A 42 23.079 4.637 -2.178 1.00 32.40 H new ATOM 0 HD13 LEU A 42 22.635 5.845 -3.407 1.00 32.40 H new ATOM 0 HD21 LEU A 42 20.599 4.046 -4.860 1.00 1.20 H new ATOM 0 HD22 LEU A 42 21.826 5.026 -5.697 1.00 1.20 H new ATOM 0 HD23 LEU A 42 21.734 3.274 -5.992 1.00 1.20 H new ATOM 652 N ARG A 43 26.867 4.549 -5.539 1.00 24.11 N ATOM 653 CA ARG A 43 28.280 4.232 -5.707 1.00 2.05 C ATOM 654 C ARG A 43 29.157 5.273 -5.017 1.00 4.41 C ATOM 655 O ARG A 43 30.281 4.981 -4.609 1.00 0.12 O ATOM 656 CB ARG A 43 28.634 4.156 -7.193 1.00 60.33 C ATOM 657 CG ARG A 43 30.086 4.494 -7.491 1.00 53.24 C ATOM 658 CD ARG A 43 30.271 5.982 -7.741 1.00 32.41 C ATOM 659 NE ARG A 43 31.517 6.268 -8.449 1.00 44.40 N ATOM 660 CZ ARG A 43 31.742 7.394 -9.116 1.00 64.13 C ATOM 661 NH1 ARG A 43 30.811 8.336 -9.166 1.00 11.21 N ATOM 662 NH2 ARG A 43 32.901 7.580 -9.734 1.00 31.41 N ATOM 0 H ARG A 43 26.338 4.594 -6.410 1.00 24.11 H new ATOM 0 HA ARG A 43 28.466 3.262 -5.246 1.00 2.05 H new ATOM 0 HB2 ARG A 43 28.421 3.151 -7.558 1.00 60.33 H new ATOM 0 HB3 ARG A 43 27.990 4.839 -7.747 1.00 60.33 H new ATOM 0 HG2 ARG A 43 30.712 4.184 -6.654 1.00 53.24 H new ATOM 0 HG3 ARG A 43 30.420 3.933 -8.364 1.00 53.24 H new ATOM 0 HD2 ARG A 43 29.429 6.359 -8.322 1.00 32.41 H new ATOM 0 HD3 ARG A 43 30.265 6.513 -6.789 1.00 32.41 H new ATOM 0 HE ARG A 43 32.255 5.564 -8.430 1.00 44.40 H new ATOM 0 HH11 ARG A 43 29.919 8.197 -8.691 1.00 11.21 H new ATOM 0 HH12 ARG A 43 30.987 9.200 -9.679 1.00 11.21 H new ATOM 0 HH21 ARG A 43 33.620 6.858 -9.697 1.00 31.41 H new ATOM 0 HH22 ARG A 43 33.073 8.445 -10.246 1.00 31.41 H new ATOM 673 N SER A 44 28.634 6.489 -4.890 1.00 3.31 N ATOM 674 CA SER A 44 29.370 7.574 -4.252 1.00 31.42 C ATOM 675 C SER A 44 29.092 7.613 -2.753 1.00 63.41 C ATOM 676 O SER A 44 30.007 7.765 -1.944 1.00 51.11 O ATOM 677 CB SER A 44 28.994 8.915 -4.887 1.00 3.12 C ATOM 678 OG SER A 44 30.089 9.469 -5.596 1.00 62.34 O ATOM 0 H SER A 44 27.704 6.747 -5.220 1.00 3.31 H new ATOM 0 HA SER A 44 30.435 7.394 -4.401 1.00 31.42 H new ATOM 0 HB2 SER A 44 28.151 8.777 -5.564 1.00 3.12 H new ATOM 0 HB3 SER A 44 28.670 9.610 -4.112 1.00 3.12 H new ATOM 0 HG SER A 44 29.822 10.324 -5.993 1.00 62.34 H new ATOM 683 N VAL A 45 27.821 7.474 -2.390 1.00 43.33 N ATOM 684 CA VAL A 45 27.420 7.492 -0.988 1.00 41.14 C ATOM 685 C VAL A 45 27.374 6.081 -0.412 1.00 71.04 C ATOM 686 O VAL A 45 28.005 5.793 0.606 1.00 63.13 O ATOM 687 CB VAL A 45 26.041 8.153 -0.806 1.00 34.11 C ATOM 688 CG1 VAL A 45 26.071 9.592 -1.298 1.00 4.51 C ATOM 689 CG2 VAL A 45 24.969 7.355 -1.533 1.00 5.41 C ATOM 0 H VAL A 45 27.051 7.348 -3.047 1.00 43.33 H new ATOM 0 HA VAL A 45 28.168 8.077 -0.453 1.00 41.14 H new ATOM 0 HB VAL A 45 25.798 8.162 0.256 1.00 34.11 H new ATOM 0 HG11 VAL A 45 25.088 10.044 -1.162 1.00 4.51 H new ATOM 0 HG12 VAL A 45 26.811 10.155 -0.730 1.00 4.51 H new ATOM 0 HG13 VAL A 45 26.335 9.610 -2.355 1.00 4.51 H new ATOM 0 HG21 VAL A 45 24.001 7.836 -1.394 1.00 5.41 H new ATOM 0 HG22 VAL A 45 25.205 7.314 -2.596 1.00 5.41 H new ATOM 0 HG23 VAL A 45 24.933 6.343 -1.130 1.00 5.41 H new ATOM 699 N THR A 46 26.625 5.202 -1.069 1.00 32.34 N ATOM 700 CA THR A 46 26.497 3.821 -0.623 1.00 2.33 C ATOM 701 C THR A 46 27.863 3.198 -0.361 1.00 1.04 C ATOM 702 O THR A 46 28.009 2.347 0.516 1.00 54.14 O ATOM 703 CB THR A 46 25.743 2.964 -1.658 1.00 60.04 C ATOM 704 OG1 THR A 46 24.803 2.110 -0.996 1.00 35.13 O ATOM 705 CG2 THR A 46 26.715 2.122 -2.472 1.00 21.43 C ATOM 0 H THR A 46 26.097 5.423 -1.913 1.00 32.34 H new ATOM 0 HA THR A 46 25.927 3.841 0.306 1.00 2.33 H new ATOM 0 HB THR A 46 25.211 3.633 -2.334 1.00 60.04 H new ATOM 0 HG1 THR A 46 24.098 2.654 -0.588 1.00 35.13 H new ATOM 0 HG21 THR A 46 26.161 1.525 -3.196 1.00 21.43 H new ATOM 0 HG22 THR A 46 27.411 2.776 -2.997 1.00 21.43 H new ATOM 0 HG23 THR A 46 27.270 1.461 -1.806 1.00 21.43 H new ATOM 713 N ARG A 47 28.859 3.628 -1.127 1.00 75.25 N ATOM 714 CA ARG A 47 30.215 3.111 -0.977 1.00 33.22 C ATOM 715 C ARG A 47 30.790 3.480 0.388 1.00 24.43 C ATOM 716 O ARG A 47 31.580 2.731 0.961 1.00 21.42 O ATOM 717 CB ARG A 47 31.117 3.656 -2.087 1.00 54.33 C ATOM 718 CG ARG A 47 31.237 5.172 -2.084 1.00 21.14 C ATOM 719 CD ARG A 47 32.116 5.660 -0.944 1.00 31.41 C ATOM 720 NE ARG A 47 33.198 6.519 -1.417 1.00 60.53 N ATOM 721 CZ ARG A 47 34.356 6.057 -1.878 1.00 2.12 C ATOM 722 NH1 ARG A 47 34.579 4.750 -1.928 1.00 74.21 N ATOM 723 NH2 ARG A 47 35.292 6.902 -2.291 1.00 25.22 N ATOM 0 H ARG A 47 28.754 4.332 -1.857 1.00 75.25 H new ATOM 0 HA ARG A 47 30.173 2.024 -1.053 1.00 33.22 H new ATOM 0 HB2 ARG A 47 32.111 3.221 -1.983 1.00 54.33 H new ATOM 0 HB3 ARG A 47 30.727 3.333 -3.052 1.00 54.33 H new ATOM 0 HG2 ARG A 47 31.653 5.507 -3.034 1.00 21.14 H new ATOM 0 HG3 ARG A 47 30.246 5.616 -1.996 1.00 21.14 H new ATOM 0 HD2 ARG A 47 31.507 6.207 -0.225 1.00 31.41 H new ATOM 0 HD3 ARG A 47 32.537 4.803 -0.418 1.00 31.41 H new ATOM 0 HE ARG A 47 33.057 7.529 -1.392 1.00 60.53 H new ATOM 0 HH11 ARG A 47 33.861 4.098 -1.612 1.00 74.21 H new ATOM 0 HH12 ARG A 47 35.468 4.398 -2.282 1.00 74.21 H new ATOM 0 HH21 ARG A 47 35.123 7.907 -2.255 1.00 25.22 H new ATOM 0 HH22 ARG A 47 36.180 6.546 -2.645 1.00 25.22 H new ATOM 734 N GLN A 48 30.387 4.638 0.900 1.00 73.25 N ATOM 735 CA GLN A 48 30.863 5.105 2.196 1.00 52.15 C ATOM 736 C GLN A 48 30.133 4.397 3.333 1.00 14.41 C ATOM 737 O GLN A 48 30.690 4.198 4.412 1.00 43.54 O ATOM 738 CB GLN A 48 30.675 6.618 2.317 1.00 42.30 C ATOM 739 CG GLN A 48 29.346 7.018 2.937 1.00 3.03 C ATOM 740 CD GLN A 48 29.475 7.407 4.397 1.00 31.43 C ATOM 741 OE1 GLN A 48 29.289 6.439 5.286 1.00 45.11 O flip ATOM 742 NE2 GLN A 48 29.740 8.565 4.721 1.00 12.21 N flip ATOM 0 H GLN A 48 29.733 5.269 0.438 1.00 73.25 H new ATOM 0 HA GLN A 48 31.925 4.871 2.270 1.00 52.15 H new ATOM 0 HB2 GLN A 48 31.486 7.030 2.918 1.00 42.30 H new ATOM 0 HB3 GLN A 48 30.754 7.066 1.326 1.00 42.30 H new ATOM 0 HG2 GLN A 48 28.926 7.854 2.378 1.00 3.03 H new ATOM 0 HG3 GLN A 48 28.644 6.189 2.847 1.00 3.03 H new ATOM 0 HE21 GLN A 48 29.875 9.277 4.003 1.00 12.21 H new ATOM 0 HE22 GLN A 48 29.825 8.812 5.707 1.00 12.21 H new ATOM 749 N ILE A 49 28.884 4.021 3.081 1.00 64.51 N ATOM 750 CA ILE A 49 28.077 3.334 4.083 1.00 34.01 C ATOM 751 C ILE A 49 28.666 1.969 4.422 1.00 62.33 C ATOM 752 O ILE A 49 28.604 1.523 5.567 1.00 65.52 O ATOM 753 CB ILE A 49 26.624 3.150 3.607 1.00 63.32 C ATOM 754 CG1 ILE A 49 26.112 4.436 2.956 1.00 12.24 C ATOM 755 CG2 ILE A 49 25.732 2.747 4.772 1.00 35.21 C ATOM 756 CD1 ILE A 49 26.260 5.659 3.835 1.00 32.23 C ATOM 0 H ILE A 49 28.409 4.180 2.193 1.00 64.51 H new ATOM 0 HA ILE A 49 28.082 3.961 4.975 1.00 34.01 H new ATOM 0 HB ILE A 49 26.598 2.353 2.863 1.00 63.32 H new ATOM 0 HG12 ILE A 49 26.652 4.601 2.023 1.00 12.24 H new ATOM 0 HG13 ILE A 49 25.061 4.309 2.698 1.00 12.24 H new ATOM 0 HG21 ILE A 49 24.708 2.621 4.420 1.00 35.21 H new ATOM 0 HG22 ILE A 49 26.088 1.808 5.195 1.00 35.21 H new ATOM 0 HG23 ILE A 49 25.759 3.523 5.537 1.00 35.21 H new ATOM 0 HD11 ILE A 49 25.877 6.533 3.309 1.00 32.23 H new ATOM 0 HD12 ILE A 49 25.697 5.514 4.757 1.00 32.23 H new ATOM 0 HD13 ILE A 49 27.313 5.811 4.072 1.00 32.23 H new ATOM 767 N GLN A 50 29.238 1.312 3.418 1.00 65.30 N ATOM 768 CA GLN A 50 29.840 -0.003 3.610 1.00 3.21 C ATOM 769 C GLN A 50 31.239 0.120 4.204 1.00 61.42 C ATOM 770 O GLN A 50 31.500 -0.361 5.306 1.00 53.40 O ATOM 771 CB GLN A 50 29.901 -0.758 2.282 1.00 3.15 C ATOM 772 CG GLN A 50 28.930 -1.926 2.200 1.00 74.55 C ATOM 773 CD GLN A 50 29.271 -2.891 1.081 1.00 50.53 C ATOM 774 OE1 GLN A 50 30.264 -3.615 1.150 1.00 73.01 O ATOM 775 NE2 GLN A 50 28.446 -2.905 0.040 1.00 4.51 N ATOM 0 H GLN A 50 29.297 1.668 2.464 1.00 65.30 H new ATOM 0 HA GLN A 50 29.217 -0.561 4.309 1.00 3.21 H new ATOM 0 HB2 GLN A 50 29.690 -0.063 1.469 1.00 3.15 H new ATOM 0 HB3 GLN A 50 30.915 -1.128 2.130 1.00 3.15 H new ATOM 0 HG2 GLN A 50 28.931 -2.462 3.149 1.00 74.55 H new ATOM 0 HG3 GLN A 50 27.920 -1.544 2.050 1.00 74.55 H new ATOM 0 HE21 GLN A 50 27.634 -2.288 0.024 1.00 4.51 H new ATOM 0 HE22 GLN A 50 28.624 -3.533 -0.744 1.00 4.51 H new ATOM 782 N GLN A 51 32.135 0.766 3.465 1.00 21.32 N ATOM 783 CA GLN A 51 33.508 0.950 3.918 1.00 51.13 C ATOM 784 C GLN A 51 33.544 1.408 5.373 1.00 20.31 C ATOM 785 O GLN A 51 34.557 1.257 6.055 1.00 40.21 O ATOM 786 CB GLN A 51 34.227 1.970 3.033 1.00 74.41 C ATOM 787 CG GLN A 51 34.121 3.399 3.540 1.00 34.13 C ATOM 788 CD GLN A 51 34.996 4.361 2.762 1.00 1.23 C ATOM 789 OE1 GLN A 51 34.478 4.862 1.646 1.00 4.53 O flip ATOM 790 NE2 GLN A 51 36.126 4.652 3.158 1.00 74.33 N flip ATOM 0 H GLN A 51 31.935 1.170 2.550 1.00 21.32 H new ATOM 0 HA GLN A 51 34.020 -0.010 3.845 1.00 51.13 H new ATOM 0 HB2 GLN A 51 35.280 1.697 2.960 1.00 74.41 H new ATOM 0 HB3 GLN A 51 33.814 1.919 2.026 1.00 74.41 H new ATOM 0 HG2 GLN A 51 33.083 3.726 3.478 1.00 34.13 H new ATOM 0 HG3 GLN A 51 34.402 3.429 4.593 1.00 34.13 H new ATOM 0 HE21 GLN A 51 36.485 4.244 4.021 1.00 74.33 H new ATOM 0 HE22 GLN A 51 36.703 5.301 2.623 1.00 74.33 H new ATOM 797 N GLU A 52 32.432 1.966 5.839 1.00 53.35 N ATOM 798 CA GLU A 52 32.339 2.447 7.214 1.00 13.01 C ATOM 799 C GLU A 52 31.663 1.412 8.107 1.00 25.01 C ATOM 800 O GLU A 52 32.103 1.161 9.229 1.00 51.30 O ATOM 801 CB GLU A 52 31.563 3.765 7.265 1.00 10.53 C ATOM 802 CG GLU A 52 30.054 3.583 7.264 1.00 74.13 C ATOM 803 CD GLU A 52 29.312 4.867 7.584 1.00 32.51 C ATOM 804 OE1 GLU A 52 29.891 5.732 8.274 1.00 23.33 O ATOM 805 OE2 GLU A 52 28.152 5.006 7.142 1.00 74.24 O ATOM 0 H GLU A 52 31.584 2.097 5.287 1.00 53.35 H new ATOM 0 HA GLU A 52 33.351 2.615 7.583 1.00 13.01 H new ATOM 0 HB2 GLU A 52 31.854 4.314 8.161 1.00 10.53 H new ATOM 0 HB3 GLU A 52 31.847 4.378 6.409 1.00 10.53 H new ATOM 0 HG2 GLU A 52 29.736 3.218 6.287 1.00 74.13 H new ATOM 0 HG3 GLU A 52 29.783 2.820 7.993 1.00 74.13 H new ATOM 810 N HIS A 53 30.590 0.812 7.601 1.00 24.01 N ATOM 811 CA HIS A 53 29.851 -0.197 8.352 1.00 74.24 C ATOM 812 C HIS A 53 30.221 -1.601 7.883 1.00 42.31 C ATOM 813 O HIS A 53 30.432 -2.501 8.696 1.00 4.14 O ATOM 814 CB HIS A 53 28.346 0.025 8.203 1.00 22.25 C ATOM 815 CG HIS A 53 27.876 1.335 8.753 1.00 51.25 C ATOM 816 ND1 HIS A 53 27.473 2.465 8.126 1.00 33.01 N flip ATOM 817 CD2 HIS A 53 27.782 1.594 10.104 1.00 52.20 C flip ATOM 818 CE1 HIS A 53 27.145 3.377 9.100 1.00 40.44 C flip ATOM 819 NE2 HIS A 53 27.341 2.826 10.284 1.00 62.25 N flip ATOM 0 H HIS A 53 30.213 1.007 6.674 1.00 24.01 H new ATOM 0 HA HIS A 53 30.120 -0.102 9.404 1.00 74.24 H new ATOM 0 HB2 HIS A 53 28.082 -0.032 7.147 1.00 22.25 H new ATOM 0 HB3 HIS A 53 27.816 -0.783 8.708 1.00 22.25 H new ATOM 0 HD1 HIS A 53 27.422 2.612 7.118 1.00 33.01 H new ATOM 0 HD2 HIS A 53 28.030 0.898 10.892 1.00 52.20 H new ATOM 0 HE1 HIS A 53 26.786 4.380 8.926 1.00 40.44 H new ATOM 826 N GLN A 54 30.295 -1.781 6.569 1.00 74.15 N ATOM 827 CA GLN A 54 30.636 -3.076 5.993 1.00 54.04 C ATOM 828 C GLN A 54 31.628 -3.822 6.880 1.00 2.03 C ATOM 829 O GLN A 54 31.650 -5.052 6.903 1.00 13.41 O ATOM 830 CB GLN A 54 31.224 -2.896 4.592 1.00 32.41 C ATOM 831 CG GLN A 54 32.695 -2.510 4.593 1.00 12.30 C ATOM 832 CD GLN A 54 33.599 -3.653 4.179 1.00 45.12 C ATOM 833 OE1 GLN A 54 33.247 -4.866 4.591 1.00 52.02 O flip ATOM 834 NE2 GLN A 54 34.603 -3.450 3.496 1.00 41.55 N flip ATOM 0 H GLN A 54 30.123 -1.046 5.883 1.00 74.15 H new ATOM 0 HA GLN A 54 29.722 -3.666 5.924 1.00 54.04 H new ATOM 0 HB2 GLN A 54 31.101 -3.824 4.034 1.00 32.41 H new ATOM 0 HB3 GLN A 54 30.656 -2.129 4.065 1.00 32.41 H new ATOM 0 HG2 GLN A 54 32.846 -1.669 3.916 1.00 12.30 H new ATOM 0 HG3 GLN A 54 32.977 -2.172 5.590 1.00 12.30 H new ATOM 0 HE21 GLN A 54 34.836 -2.502 3.201 1.00 41.55 H new ATOM 0 HE22 GLN A 54 35.202 -4.230 3.225 1.00 41.55 H new ATOM 841 N GLU A 55 32.446 -3.069 7.609 1.00 13.31 N ATOM 842 CA GLU A 55 33.439 -3.660 8.497 1.00 60.42 C ATOM 843 C GLU A 55 32.813 -4.743 9.370 1.00 63.42 C ATOM 844 O GLU A 55 33.378 -5.824 9.539 1.00 10.44 O ATOM 845 CB GLU A 55 34.074 -2.583 9.379 1.00 14.03 C ATOM 846 CG GLU A 55 34.084 -1.203 8.741 1.00 44.23 C ATOM 847 CD GLU A 55 34.996 -0.233 9.466 1.00 54.33 C ATOM 848 OE1 GLU A 55 36.205 -0.208 9.155 1.00 33.34 O ATOM 849 OE2 GLU A 55 34.500 0.502 10.346 1.00 75.03 O ATOM 0 H GLU A 55 32.440 -2.049 7.602 1.00 13.31 H new ATOM 0 HA GLU A 55 34.213 -4.117 7.880 1.00 60.42 H new ATOM 0 HB2 GLU A 55 33.533 -2.533 10.324 1.00 14.03 H new ATOM 0 HB3 GLU A 55 35.098 -2.874 9.613 1.00 14.03 H new ATOM 0 HG2 GLU A 55 34.403 -1.289 7.702 1.00 44.23 H new ATOM 0 HG3 GLU A 55 33.070 -0.804 8.731 1.00 44.23 H new ATOM 854 N PHE A 56 31.642 -4.445 9.924 1.00 33.42 N ATOM 855 CA PHE A 56 30.938 -5.392 10.780 1.00 40.32 C ATOM 856 C PHE A 56 30.033 -6.303 9.957 1.00 55.41 C ATOM 857 O PHE A 56 29.951 -7.505 10.205 1.00 64.41 O ATOM 858 CB PHE A 56 30.112 -4.646 11.830 1.00 32.42 C ATOM 859 CG PHE A 56 30.925 -4.148 12.991 1.00 14.15 C ATOM 860 CD1 PHE A 56 31.959 -3.247 12.792 1.00 53.12 C ATOM 861 CD2 PHE A 56 30.656 -4.581 14.278 1.00 52.52 C ATOM 862 CE1 PHE A 56 32.709 -2.786 13.858 1.00 54.13 C ATOM 863 CE2 PHE A 56 31.403 -4.123 15.347 1.00 42.43 C ATOM 864 CZ PHE A 56 32.431 -3.225 15.137 1.00 2.30 C ATOM 0 H PHE A 56 31.161 -3.555 9.795 1.00 33.42 H new ATOM 0 HA PHE A 56 31.682 -6.009 11.284 1.00 40.32 H new ATOM 0 HB2 PHE A 56 29.615 -3.800 11.355 1.00 32.42 H new ATOM 0 HB3 PHE A 56 29.330 -5.307 12.202 1.00 32.42 H new ATOM 0 HD1 PHE A 56 32.181 -2.901 11.793 1.00 53.12 H new ATOM 0 HD2 PHE A 56 29.854 -5.284 14.449 1.00 52.52 H new ATOM 0 HE1 PHE A 56 33.512 -2.083 13.690 1.00 54.13 H new ATOM 0 HE2 PHE A 56 31.183 -4.467 16.347 1.00 42.43 H new ATOM 0 HZ PHE A 56 33.016 -2.867 15.971 1.00 2.30 H new ATOM 873 N PHE A 57 29.353 -5.720 8.975 1.00 53.05 N ATOM 874 CA PHE A 57 28.451 -6.477 8.115 1.00 13.21 C ATOM 875 C PHE A 57 29.166 -7.678 7.502 1.00 4.33 C ATOM 876 O PHE A 57 28.786 -8.825 7.737 1.00 3.04 O ATOM 877 CB PHE A 57 27.896 -5.580 7.006 1.00 44.42 C ATOM 878 CG PHE A 57 27.209 -4.347 7.521 1.00 20.43 C ATOM 879 CD1 PHE A 57 26.584 -4.351 8.758 1.00 72.34 C ATOM 880 CD2 PHE A 57 27.188 -3.184 6.768 1.00 71.33 C ATOM 881 CE1 PHE A 57 25.951 -3.218 9.233 1.00 23.10 C ATOM 882 CE2 PHE A 57 26.557 -2.048 7.238 1.00 30.42 C ATOM 883 CZ PHE A 57 25.939 -2.065 8.473 1.00 31.03 C ATOM 0 H PHE A 57 29.410 -4.726 8.755 1.00 53.05 H new ATOM 0 HA PHE A 57 27.625 -6.840 8.727 1.00 13.21 H new ATOM 0 HB2 PHE A 57 28.712 -5.283 6.347 1.00 44.42 H new ATOM 0 HB3 PHE A 57 27.192 -6.154 6.403 1.00 44.42 H new ATOM 0 HD1 PHE A 57 26.592 -5.249 9.357 1.00 72.34 H new ATOM 0 HD2 PHE A 57 27.671 -3.165 5.802 1.00 71.33 H new ATOM 0 HE1 PHE A 57 25.466 -3.234 10.198 1.00 23.10 H new ATOM 0 HE2 PHE A 57 26.547 -1.148 6.641 1.00 30.42 H new ATOM 0 HZ PHE A 57 25.447 -1.178 8.844 1.00 31.03 H new ATOM 892 N SER A 58 30.201 -7.405 6.715 1.00 25.10 N ATOM 893 CA SER A 58 30.966 -8.463 6.064 1.00 5.40 C ATOM 894 C SER A 58 31.507 -9.452 7.092 1.00 31.01 C ATOM 895 O SER A 58 31.479 -10.664 6.877 1.00 0.22 O ATOM 896 CB SER A 58 32.120 -7.864 5.258 1.00 0.00 C ATOM 897 OG SER A 58 32.677 -8.823 4.375 1.00 53.43 O ATOM 0 H SER A 58 30.530 -6.461 6.512 1.00 25.10 H new ATOM 0 HA SER A 58 30.299 -8.997 5.387 1.00 5.40 H new ATOM 0 HB2 SER A 58 31.763 -7.005 4.689 1.00 0.00 H new ATOM 0 HB3 SER A 58 32.891 -7.499 5.937 1.00 0.00 H new ATOM 0 HG SER A 58 32.096 -9.611 4.340 1.00 53.43 H new ATOM 902 N SER A 59 32.000 -8.926 8.208 1.00 22.42 N ATOM 903 CA SER A 59 32.552 -9.762 9.269 1.00 34.33 C ATOM 904 C SER A 59 31.570 -10.862 9.660 1.00 54.14 C ATOM 905 O SER A 59 31.962 -12.005 9.897 1.00 33.41 O ATOM 906 CB SER A 59 32.896 -8.910 10.491 1.00 42.42 C ATOM 907 OG SER A 59 32.770 -9.659 11.687 1.00 23.30 O ATOM 0 H SER A 59 32.029 -7.925 8.402 1.00 22.42 H new ATOM 0 HA SER A 59 33.462 -10.229 8.894 1.00 34.33 H new ATOM 0 HB2 SER A 59 33.915 -8.533 10.400 1.00 42.42 H new ATOM 0 HB3 SER A 59 32.237 -8.042 10.530 1.00 42.42 H new ATOM 0 HG SER A 59 32.997 -9.092 12.453 1.00 23.30 H new ATOM 912 N PHE A 60 30.291 -10.507 9.726 1.00 64.55 N ATOM 913 CA PHE A 60 29.251 -11.462 10.091 1.00 24.40 C ATOM 914 C PHE A 60 28.794 -12.259 8.872 1.00 71.01 C ATOM 915 O PHE A 60 28.576 -13.469 8.953 1.00 60.34 O ATOM 916 CB PHE A 60 28.059 -10.737 10.716 1.00 45.42 C ATOM 917 CG PHE A 60 26.815 -11.576 10.785 1.00 10.13 C ATOM 918 CD1 PHE A 60 26.159 -11.961 9.626 1.00 5.34 C ATOM 919 CD2 PHE A 60 26.301 -11.979 12.007 1.00 21.35 C ATOM 920 CE1 PHE A 60 25.014 -12.733 9.685 1.00 31.25 C ATOM 921 CE2 PHE A 60 25.156 -12.752 12.071 1.00 51.24 C ATOM 922 CZ PHE A 60 24.511 -13.128 10.909 1.00 72.25 C ATOM 0 H PHE A 60 29.950 -9.566 9.532 1.00 64.55 H new ATOM 0 HA PHE A 60 29.669 -12.155 10.822 1.00 24.40 H new ATOM 0 HB2 PHE A 60 28.327 -10.415 11.722 1.00 45.42 H new ATOM 0 HB3 PHE A 60 27.849 -9.837 10.139 1.00 45.42 H new ATOM 0 HD1 PHE A 60 26.547 -11.654 8.666 1.00 5.34 H new ATOM 0 HD2 PHE A 60 26.800 -11.686 12.919 1.00 21.35 H new ATOM 0 HE1 PHE A 60 24.513 -13.027 8.775 1.00 31.25 H new ATOM 0 HE2 PHE A 60 24.766 -13.062 13.029 1.00 51.24 H new ATOM 0 HZ PHE A 60 23.615 -13.730 10.957 1.00 72.25 H new ATOM 931 N CYS A 61 28.649 -11.572 7.744 1.00 43.13 N ATOM 932 CA CYS A 61 28.217 -12.214 6.509 1.00 24.25 C ATOM 933 C CYS A 61 28.905 -13.562 6.325 1.00 60.14 C ATOM 934 O CYS A 61 28.269 -14.552 5.963 1.00 54.43 O ATOM 935 CB CYS A 61 28.510 -11.310 5.310 1.00 63.33 C ATOM 936 SG CYS A 61 30.150 -11.554 4.587 1.00 13.23 S ATOM 0 H CYS A 61 28.824 -10.571 7.660 1.00 43.13 H new ATOM 0 HA CYS A 61 27.142 -12.382 6.574 1.00 24.25 H new ATOM 0 HB2 CYS A 61 27.756 -11.486 4.543 1.00 63.33 H new ATOM 0 HB3 CYS A 61 28.412 -10.270 5.620 1.00 63.33 H new ATOM 0 HG CYS A 61 31.060 -11.271 5.471 1.00 13.23 H new ATOM 941 N GLU A 62 30.211 -13.593 6.576 1.00 55.21 N ATOM 942 CA GLU A 62 30.987 -14.820 6.436 1.00 14.32 C ATOM 943 C GLU A 62 30.946 -15.639 7.723 1.00 51.24 C ATOM 944 O GLU A 62 31.914 -16.312 8.073 1.00 63.35 O ATOM 945 CB GLU A 62 32.436 -14.494 6.071 1.00 52.33 C ATOM 946 CG GLU A 62 33.208 -13.817 7.192 1.00 40.04 C ATOM 947 CD GLU A 62 34.675 -13.626 6.858 1.00 64.32 C ATOM 948 OE1 GLU A 62 34.983 -12.747 6.025 1.00 61.44 O ATOM 949 OE2 GLU A 62 35.513 -14.355 7.427 1.00 41.15 O ATOM 0 H GLU A 62 30.753 -12.783 6.877 1.00 55.21 H new ATOM 0 HA GLU A 62 30.543 -15.412 5.635 1.00 14.32 H new ATOM 0 HB2 GLU A 62 32.948 -15.415 5.793 1.00 52.33 H new ATOM 0 HB3 GLU A 62 32.444 -13.848 5.193 1.00 52.33 H new ATOM 0 HG2 GLU A 62 32.758 -12.847 7.403 1.00 40.04 H new ATOM 0 HG3 GLU A 62 33.121 -14.414 8.100 1.00 40.04 H new ATOM 954 N SER A 63 29.817 -15.575 8.423 1.00 73.23 N ATOM 955 CA SER A 63 29.651 -16.307 9.673 1.00 22.13 C ATOM 956 C SER A 63 28.661 -17.456 9.502 1.00 50.02 C ATOM 957 O SER A 63 28.980 -18.611 9.785 1.00 51.14 O ATOM 958 CB SER A 63 29.171 -15.366 10.780 1.00 33.23 C ATOM 959 OG SER A 63 29.092 -16.039 12.023 1.00 44.23 O ATOM 0 H SER A 63 29.005 -15.024 8.146 1.00 73.23 H new ATOM 0 HA SER A 63 30.619 -16.722 9.953 1.00 22.13 H new ATOM 0 HB2 SER A 63 29.853 -14.520 10.864 1.00 33.23 H new ATOM 0 HB3 SER A 63 28.193 -14.962 10.519 1.00 33.23 H new ATOM 0 HG SER A 63 28.785 -15.415 12.714 1.00 44.23 H new ATOM 964 N ARG A 64 27.460 -17.130 9.038 1.00 54.45 N ATOM 965 CA ARG A 64 26.422 -18.133 8.830 1.00 54.41 C ATOM 966 C ARG A 64 26.063 -18.245 7.351 1.00 45.04 C ATOM 967 O ARG A 64 25.363 -19.170 6.941 1.00 13.01 O ATOM 968 CB ARG A 64 25.175 -17.783 9.644 1.00 21.21 C ATOM 969 CG ARG A 64 25.482 -17.313 11.057 1.00 4.23 C ATOM 970 CD ARG A 64 26.436 -18.263 11.765 1.00 43.50 C ATOM 971 NE ARG A 64 25.749 -19.444 12.282 1.00 10.45 N ATOM 972 CZ ARG A 64 26.346 -20.380 13.012 1.00 32.35 C ATOM 973 NH1 ARG A 64 27.633 -20.274 13.309 1.00 14.04 N ATOM 974 NH2 ARG A 64 25.653 -21.426 13.445 1.00 62.13 N ATOM 0 H ARG A 64 27.181 -16.179 8.799 1.00 54.45 H new ATOM 0 HA ARG A 64 26.808 -19.095 9.166 1.00 54.41 H new ATOM 0 HB2 ARG A 64 24.619 -17.003 9.124 1.00 21.21 H new ATOM 0 HB3 ARG A 64 24.527 -18.658 9.694 1.00 21.21 H new ATOM 0 HG2 ARG A 64 25.919 -16.315 11.023 1.00 4.23 H new ATOM 0 HG3 ARG A 64 24.555 -17.236 11.625 1.00 4.23 H new ATOM 0 HD2 ARG A 64 27.219 -18.573 11.073 1.00 43.50 H new ATOM 0 HD3 ARG A 64 26.926 -17.740 12.586 1.00 43.50 H new ATOM 0 HE ARG A 64 24.757 -19.556 12.071 1.00 10.45 H new ATOM 0 HH11 ARG A 64 28.169 -19.472 12.977 1.00 14.04 H new ATOM 0 HH12 ARG A 64 28.088 -20.994 13.870 1.00 14.04 H new ATOM 0 HH21 ARG A 64 24.662 -21.511 13.217 1.00 62.13 H new ATOM 0 HH22 ARG A 64 26.111 -22.145 14.005 1.00 62.13 H new ATOM 985 N GLY A 65 26.548 -17.297 6.556 1.00 54.44 N ATOM 986 CA GLY A 65 26.267 -17.307 5.133 1.00 11.15 C ATOM 987 C GLY A 65 24.852 -16.861 4.817 1.00 61.42 C ATOM 988 O GLY A 65 24.386 -17.006 3.688 1.00 53.10 O ATOM 0 H GLY A 65 27.131 -16.522 6.872 1.00 54.44 H new ATOM 0 HA2 GLY A 65 26.973 -16.653 4.622 1.00 11.15 H new ATOM 0 HA3 GLY A 65 26.423 -18.312 4.742 1.00 11.15 H new ATOM 992 N ASN A 66 24.167 -16.319 5.819 1.00 25.30 N ATOM 993 CA ASN A 66 22.796 -15.854 5.644 1.00 23.22 C ATOM 994 C ASN A 66 22.771 -14.450 5.047 1.00 3.43 C ATOM 995 O ASN A 66 21.871 -13.660 5.332 1.00 45.51 O ATOM 996 CB ASN A 66 22.057 -15.865 6.983 1.00 2.21 C ATOM 997 CG ASN A 66 22.632 -16.879 7.953 1.00 3.23 C ATOM 998 OD1 ASN A 66 23.306 -17.827 7.550 1.00 74.34 O ATOM 999 ND2 ASN A 66 22.364 -16.685 9.239 1.00 43.21 N ATOM 0 H ASN A 66 24.539 -16.191 6.760 1.00 25.30 H new ATOM 0 HA ASN A 66 22.293 -16.532 4.954 1.00 23.22 H new ATOM 0 HB2 ASN A 66 22.105 -14.872 7.429 1.00 2.21 H new ATOM 0 HB3 ASN A 66 21.004 -16.087 6.812 1.00 2.21 H new ATOM 0 HD21 ASN A 66 22.721 -17.336 9.938 1.00 43.21 H new ATOM 0 HD22 ASN A 66 21.801 -15.885 9.528 1.00 43.21 H new ATOM 1005 N ARG A 67 23.764 -14.148 4.218 1.00 35.40 N ATOM 1006 CA ARG A 67 23.857 -12.839 3.582 1.00 11.53 C ATOM 1007 C ARG A 67 22.468 -12.267 3.313 1.00 13.14 C ATOM 1008 O ARG A 67 22.259 -11.055 3.386 1.00 31.30 O ATOM 1009 CB ARG A 67 24.640 -12.939 2.272 1.00 74.34 C ATOM 1010 CG ARG A 67 23.929 -13.742 1.196 1.00 73.40 C ATOM 1011 CD ARG A 67 23.877 -15.221 1.546 1.00 61.24 C ATOM 1012 NE ARG A 67 23.388 -16.030 0.434 1.00 24.41 N ATOM 1013 CZ ARG A 67 22.806 -17.215 0.587 1.00 74.50 C ATOM 1014 NH1 ARG A 67 22.642 -17.724 1.800 1.00 1.14 N ATOM 1015 NH2 ARG A 67 22.387 -17.891 -0.475 1.00 62.20 N ATOM 0 H ARG A 67 24.516 -14.792 3.971 1.00 35.40 H new ATOM 0 HA ARG A 67 24.383 -12.169 4.262 1.00 11.53 H new ATOM 0 HB2 ARG A 67 24.832 -11.934 1.896 1.00 74.34 H new ATOM 0 HB3 ARG A 67 25.610 -13.395 2.472 1.00 74.34 H new ATOM 0 HG2 ARG A 67 22.916 -13.362 1.067 1.00 73.40 H new ATOM 0 HG3 ARG A 67 24.442 -13.610 0.244 1.00 73.40 H new ATOM 0 HD2 ARG A 67 24.873 -15.561 1.831 1.00 61.24 H new ATOM 0 HD3 ARG A 67 23.230 -15.366 2.411 1.00 61.24 H new ATOM 0 HE ARG A 67 23.499 -15.666 -0.512 1.00 24.41 H new ATOM 0 HH11 ARG A 67 22.963 -17.206 2.618 1.00 1.14 H new ATOM 0 HH12 ARG A 67 22.195 -18.634 1.915 1.00 1.14 H new ATOM 0 HH21 ARG A 67 22.512 -17.501 -1.409 1.00 62.20 H new ATOM 0 HH22 ARG A 67 21.940 -18.800 -0.357 1.00 62.20 H new ATOM 1026 N LEU A 68 21.522 -13.145 3.000 1.00 21.24 N ATOM 1027 CA LEU A 68 20.153 -12.727 2.718 1.00 43.43 C ATOM 1028 C LEU A 68 19.401 -12.419 4.010 1.00 52.32 C ATOM 1029 O LEU A 68 18.797 -11.356 4.149 1.00 23.31 O ATOM 1030 CB LEU A 68 19.417 -13.816 1.935 1.00 11.12 C ATOM 1031 CG LEU A 68 17.893 -13.821 2.063 1.00 60.33 C ATOM 1032 CD1 LEU A 68 17.269 -12.880 1.044 1.00 23.41 C ATOM 1033 CD2 LEU A 68 17.350 -15.232 1.891 1.00 2.34 C ATOM 0 H LEU A 68 21.677 -14.151 2.935 1.00 21.24 H new ATOM 0 HA LEU A 68 20.193 -11.819 2.116 1.00 43.43 H new ATOM 0 HB2 LEU A 68 19.673 -13.713 0.880 1.00 11.12 H new ATOM 0 HB3 LEU A 68 19.792 -14.786 2.261 1.00 11.12 H new ATOM 0 HG LEU A 68 17.629 -13.470 3.060 1.00 60.33 H new ATOM 0 HD11 LEU A 68 16.184 -12.897 1.150 1.00 23.41 H new ATOM 0 HD12 LEU A 68 17.635 -11.867 1.212 1.00 23.41 H new ATOM 0 HD13 LEU A 68 17.540 -13.201 0.038 1.00 23.41 H new ATOM 0 HD21 LEU A 68 16.264 -15.218 1.985 1.00 2.34 H new ATOM 0 HD22 LEU A 68 17.624 -15.610 0.906 1.00 2.34 H new ATOM 0 HD23 LEU A 68 17.772 -15.880 2.659 1.00 2.34 H new ATOM 1044 N GLU A 69 19.446 -13.355 4.953 1.00 21.05 N ATOM 1045 CA GLU A 69 18.770 -13.183 6.233 1.00 55.23 C ATOM 1046 C GLU A 69 19.127 -11.837 6.859 1.00 1.32 C ATOM 1047 O GLU A 69 18.300 -11.209 7.521 1.00 12.41 O ATOM 1048 CB GLU A 69 19.143 -14.317 7.190 1.00 35.24 C ATOM 1049 CG GLU A 69 18.667 -15.684 6.728 1.00 54.33 C ATOM 1050 CD GLU A 69 18.878 -16.759 7.776 1.00 42.22 C ATOM 1051 OE1 GLU A 69 18.926 -16.417 8.977 1.00 22.34 O ATOM 1052 OE2 GLU A 69 18.994 -17.943 7.395 1.00 22.23 O ATOM 0 H GLU A 69 19.944 -14.240 4.854 1.00 21.05 H new ATOM 0 HA GLU A 69 17.695 -13.209 6.053 1.00 55.23 H new ATOM 0 HB2 GLU A 69 20.226 -14.340 7.309 1.00 35.24 H new ATOM 0 HB3 GLU A 69 18.719 -14.107 8.172 1.00 35.24 H new ATOM 0 HG2 GLU A 69 17.608 -15.630 6.476 1.00 54.33 H new ATOM 0 HG3 GLU A 69 19.198 -15.961 5.817 1.00 54.33 H new ATOM 1057 N LEU A 70 20.363 -11.400 6.644 1.00 4.23 N ATOM 1058 CA LEU A 70 20.831 -10.129 7.186 1.00 24.22 C ATOM 1059 C LEU A 70 20.295 -8.958 6.369 1.00 34.21 C ATOM 1060 O LEU A 70 19.963 -7.906 6.915 1.00 51.43 O ATOM 1061 CB LEU A 70 22.360 -10.094 7.208 1.00 52.30 C ATOM 1062 CG LEU A 70 23.050 -11.312 7.823 1.00 73.31 C ATOM 1063 CD1 LEU A 70 22.088 -12.074 8.720 1.00 63.43 C ATOM 1064 CD2 LEU A 70 23.599 -12.220 6.733 1.00 31.40 C ATOM 0 H LEU A 70 21.059 -11.907 6.098 1.00 4.23 H new ATOM 0 HA LEU A 70 20.457 -10.037 8.206 1.00 24.22 H new ATOM 0 HB2 LEU A 70 22.716 -9.978 6.184 1.00 52.30 H new ATOM 0 HB3 LEU A 70 22.675 -9.207 7.757 1.00 52.30 H new ATOM 0 HG LEU A 70 23.884 -10.964 8.433 1.00 73.31 H new ATOM 0 HD11 LEU A 70 22.597 -12.937 9.149 1.00 63.43 H new ATOM 0 HD12 LEU A 70 21.743 -11.421 9.522 1.00 63.43 H new ATOM 0 HD13 LEU A 70 21.233 -12.411 8.134 1.00 63.43 H new ATOM 0 HD21 LEU A 70 24.087 -13.082 7.189 1.00 31.40 H new ATOM 0 HD22 LEU A 70 22.782 -12.560 6.097 1.00 31.40 H new ATOM 0 HD23 LEU A 70 24.322 -11.670 6.131 1.00 31.40 H new ATOM 1075 N VAL A 71 20.212 -9.149 5.056 1.00 0.43 N ATOM 1076 CA VAL A 71 19.713 -8.110 4.163 1.00 15.45 C ATOM 1077 C VAL A 71 18.283 -7.719 4.518 1.00 52.42 C ATOM 1078 O VAL A 71 17.947 -6.535 4.580 1.00 64.45 O ATOM 1079 CB VAL A 71 19.758 -8.565 2.692 1.00 13.02 C ATOM 1080 CG1 VAL A 71 18.375 -8.988 2.221 1.00 72.24 C ATOM 1081 CG2 VAL A 71 20.316 -7.458 1.809 1.00 2.51 C ATOM 0 H VAL A 71 20.484 -10.013 4.587 1.00 0.43 H new ATOM 0 HA VAL A 71 20.365 -7.246 4.289 1.00 15.45 H new ATOM 0 HB VAL A 71 20.420 -9.427 2.617 1.00 13.02 H new ATOM 0 HG11 VAL A 71 18.427 -9.306 1.180 1.00 72.24 H new ATOM 0 HG12 VAL A 71 18.018 -9.815 2.836 1.00 72.24 H new ATOM 0 HG13 VAL A 71 17.687 -8.147 2.310 1.00 72.24 H new ATOM 0 HG21 VAL A 71 20.341 -7.796 0.773 1.00 2.51 H new ATOM 0 HG22 VAL A 71 19.681 -6.575 1.887 1.00 2.51 H new ATOM 0 HG23 VAL A 71 21.326 -7.208 2.133 1.00 2.51 H new ATOM 1091 N LYS A 72 17.442 -8.721 4.752 1.00 44.12 N ATOM 1092 CA LYS A 72 16.047 -8.483 5.104 1.00 65.44 C ATOM 1093 C LYS A 72 15.929 -7.950 6.527 1.00 52.42 C ATOM 1094 O LYS A 72 15.179 -7.007 6.786 1.00 23.53 O ATOM 1095 CB LYS A 72 15.238 -9.775 4.964 1.00 73.21 C ATOM 1096 CG LYS A 72 16.053 -11.034 5.203 1.00 73.35 C ATOM 1097 CD LYS A 72 15.165 -12.217 5.549 1.00 73.12 C ATOM 1098 CE LYS A 72 14.655 -12.915 4.297 1.00 3.01 C ATOM 1099 NZ LYS A 72 13.662 -13.976 4.621 1.00 60.42 N ATOM 0 H LYS A 72 17.702 -9.706 4.704 1.00 44.12 H new ATOM 0 HA LYS A 72 15.648 -7.734 4.420 1.00 65.44 H new ATOM 0 HB2 LYS A 72 14.407 -9.751 5.669 1.00 73.21 H new ATOM 0 HB3 LYS A 72 14.806 -9.817 3.964 1.00 73.21 H new ATOM 0 HG2 LYS A 72 16.637 -11.265 4.312 1.00 73.35 H new ATOM 0 HG3 LYS A 72 16.762 -10.861 6.013 1.00 73.35 H new ATOM 0 HD2 LYS A 72 15.723 -12.926 6.161 1.00 73.12 H new ATOM 0 HD3 LYS A 72 14.320 -11.876 6.147 1.00 73.12 H new ATOM 0 HE2 LYS A 72 14.199 -12.181 3.632 1.00 3.01 H new ATOM 0 HE3 LYS A 72 15.494 -13.355 3.759 1.00 3.01 H new ATOM 0 HZ1 LYS A 72 13.338 -14.428 3.742 1.00 60.42 H new ATOM 0 HZ2 LYS A 72 14.104 -14.689 5.235 1.00 60.42 H new ATOM 0 HZ3 LYS A 72 12.849 -13.552 5.112 1.00 60.42 H new ATOM 1109 N GLN A 73 16.673 -8.556 7.446 1.00 51.43 N ATOM 1110 CA GLN A 73 16.651 -8.139 8.843 1.00 2.11 C ATOM 1111 C GLN A 73 16.972 -6.654 8.974 1.00 13.22 C ATOM 1112 O GLN A 73 16.252 -5.909 9.638 1.00 74.44 O ATOM 1113 CB GLN A 73 17.649 -8.962 9.659 1.00 43.13 C ATOM 1114 CG GLN A 73 17.021 -10.155 10.364 1.00 35.42 C ATOM 1115 CD GLN A 73 15.909 -10.791 9.554 1.00 65.31 C ATOM 1116 OE1 GLN A 73 14.746 -10.402 9.662 1.00 43.43 O ATOM 1117 NE2 GLN A 73 16.261 -11.776 8.736 1.00 45.41 N ATOM 0 H GLN A 73 17.298 -9.337 7.249 1.00 51.43 H new ATOM 0 HA GLN A 73 15.647 -8.310 9.230 1.00 2.11 H new ATOM 0 HB2 GLN A 73 18.441 -9.316 8.999 1.00 43.13 H new ATOM 0 HB3 GLN A 73 18.118 -8.317 10.402 1.00 43.13 H new ATOM 0 HG2 GLN A 73 17.791 -10.900 10.565 1.00 35.42 H new ATOM 0 HG3 GLN A 73 16.626 -9.836 11.329 1.00 35.42 H new ATOM 0 HE21 GLN A 73 17.237 -12.066 8.678 1.00 45.41 H new ATOM 0 HE22 GLN A 73 15.555 -12.242 8.166 1.00 45.41 H new ATOM 1124 N MET A 74 18.059 -6.230 8.336 1.00 22.13 N ATOM 1125 CA MET A 74 18.475 -4.833 8.380 1.00 3.21 C ATOM 1126 C MET A 74 17.368 -3.920 7.863 1.00 42.03 C ATOM 1127 O MET A 74 16.945 -2.992 8.551 1.00 54.22 O ATOM 1128 CB MET A 74 19.747 -4.632 7.554 1.00 15.41 C ATOM 1129 CG MET A 74 20.932 -5.438 8.056 1.00 44.11 C ATOM 1130 SD MET A 74 22.085 -4.448 9.026 1.00 73.32 S ATOM 1131 CE MET A 74 22.744 -3.362 7.763 1.00 43.35 C ATOM 0 H MET A 74 18.667 -6.834 7.783 1.00 22.13 H new ATOM 0 HA MET A 74 18.680 -4.573 9.418 1.00 3.21 H new ATOM 0 HB2 MET A 74 19.545 -4.906 6.518 1.00 15.41 H new ATOM 0 HB3 MET A 74 20.010 -3.574 7.559 1.00 15.41 H new ATOM 0 HG2 MET A 74 20.571 -6.267 8.664 1.00 44.11 H new ATOM 0 HG3 MET A 74 21.458 -5.872 7.205 1.00 44.11 H new ATOM 0 HE1 MET A 74 23.806 -3.565 7.627 1.00 43.35 H new ATOM 0 HE2 MET A 74 22.219 -3.535 6.824 1.00 43.35 H new ATOM 0 HE3 MET A 74 22.609 -2.324 8.068 1.00 43.35 H new ATOM 1139 N ALA A 75 16.904 -4.189 6.647 1.00 11.22 N ATOM 1140 CA ALA A 75 15.846 -3.392 6.040 1.00 2.14 C ATOM 1141 C ALA A 75 14.651 -3.260 6.977 1.00 41.41 C ATOM 1142 O ALA A 75 13.848 -2.336 6.848 1.00 2.44 O ATOM 1143 CB ALA A 75 15.416 -4.007 4.716 1.00 4.13 C ATOM 0 H ALA A 75 17.244 -4.953 6.063 1.00 11.22 H new ATOM 0 HA ALA A 75 16.239 -2.393 5.854 1.00 2.14 H new ATOM 0 HB1 ALA A 75 14.625 -3.401 4.273 1.00 4.13 H new ATOM 0 HB2 ALA A 75 16.268 -4.043 4.038 1.00 4.13 H new ATOM 0 HB3 ALA A 75 15.046 -5.018 4.887 1.00 4.13 H new ATOM 1149 N ASP A 76 14.539 -4.190 7.920 1.00 11.24 N ATOM 1150 CA ASP A 76 13.442 -4.176 8.881 1.00 20.05 C ATOM 1151 C ASP A 76 13.740 -3.224 10.034 1.00 20.11 C ATOM 1152 O ASP A 76 12.830 -2.648 10.630 1.00 1.11 O ATOM 1153 CB ASP A 76 13.189 -5.586 9.418 1.00 43.15 C ATOM 1154 CG ASP A 76 11.719 -5.858 9.664 1.00 12.23 C ATOM 1155 OD1 ASP A 76 10.899 -4.943 9.433 1.00 33.54 O ATOM 1156 OD2 ASP A 76 11.385 -6.984 10.088 1.00 74.44 O ATOM 0 H ASP A 76 15.194 -4.963 8.039 1.00 11.24 H new ATOM 0 HA ASP A 76 12.547 -3.825 8.368 1.00 20.05 H new ATOM 0 HB2 ASP A 76 13.577 -6.317 8.708 1.00 43.15 H new ATOM 0 HB3 ASP A 76 13.741 -5.722 10.348 1.00 43.15 H new ATOM 1160 N LYS A 77 15.022 -3.064 10.345 1.00 42.02 N ATOM 1161 CA LYS A 77 15.443 -2.181 11.428 1.00 3.14 C ATOM 1162 C LYS A 77 15.469 -0.729 10.965 1.00 75.45 C ATOM 1163 O LYS A 77 14.941 0.158 11.637 1.00 74.12 O ATOM 1164 CB LYS A 77 16.825 -2.592 11.939 1.00 41.12 C ATOM 1165 CG LYS A 77 17.970 -1.889 11.231 1.00 13.43 C ATOM 1166 CD LYS A 77 19.305 -2.198 11.886 1.00 11.43 C ATOM 1167 CE LYS A 77 19.484 -3.691 12.109 1.00 72.41 C ATOM 1168 NZ LYS A 77 20.740 -3.995 12.850 1.00 22.15 N ATOM 0 H LYS A 77 15.788 -3.534 9.863 1.00 42.02 H new ATOM 0 HA LYS A 77 14.722 -2.271 12.240 1.00 3.14 H new ATOM 0 HB2 LYS A 77 16.885 -2.382 13.007 1.00 41.12 H new ATOM 0 HB3 LYS A 77 16.942 -3.669 11.819 1.00 41.12 H new ATOM 0 HG2 LYS A 77 17.997 -2.197 10.186 1.00 13.43 H new ATOM 0 HG3 LYS A 77 17.799 -0.813 11.242 1.00 13.43 H new ATOM 0 HD2 LYS A 77 20.114 -1.823 11.259 1.00 11.43 H new ATOM 0 HD3 LYS A 77 19.373 -1.676 12.840 1.00 11.43 H new ATOM 0 HE2 LYS A 77 18.631 -4.080 12.665 1.00 72.41 H new ATOM 0 HE3 LYS A 77 19.497 -4.203 11.147 1.00 72.41 H new ATOM 0 HZ1 LYS A 77 20.825 -5.023 12.982 1.00 22.15 H new ATOM 0 HZ2 LYS A 77 21.556 -3.647 12.307 1.00 22.15 H new ATOM 0 HZ3 LYS A 77 20.717 -3.528 13.779 1.00 22.15 H new ATOM 1178 N LEU A 78 16.089 -0.490 9.814 1.00 25.32 N ATOM 1179 CA LEU A 78 16.185 0.856 9.261 1.00 11.33 C ATOM 1180 C LEU A 78 14.906 1.231 8.518 1.00 43.51 C ATOM 1181 O LEU A 78 14.207 2.170 8.901 1.00 14.54 O ATOM 1182 CB LEU A 78 17.384 0.957 8.317 1.00 0.12 C ATOM 1183 CG LEU A 78 17.825 -0.347 7.650 1.00 33.21 C ATOM 1184 CD1 LEU A 78 18.239 -0.095 6.208 1.00 2.54 C ATOM 1185 CD2 LEU A 78 18.965 -0.985 8.429 1.00 2.10 C ATOM 0 H LEU A 78 16.533 -1.212 9.246 1.00 25.32 H new ATOM 0 HA LEU A 78 16.322 1.553 10.088 1.00 11.33 H new ATOM 0 HB2 LEU A 78 17.146 1.679 7.536 1.00 0.12 H new ATOM 0 HB3 LEU A 78 18.229 1.359 8.876 1.00 0.12 H new ATOM 0 HG LEU A 78 16.981 -1.036 7.650 1.00 33.21 H new ATOM 0 HD11 LEU A 78 18.550 -1.034 5.749 1.00 2.54 H new ATOM 0 HD12 LEU A 78 17.396 0.318 5.654 1.00 2.54 H new ATOM 0 HD13 LEU A 78 19.069 0.612 6.186 1.00 2.54 H new ATOM 0 HD21 LEU A 78 19.266 -1.912 7.940 1.00 2.10 H new ATOM 0 HD22 LEU A 78 19.812 -0.300 8.461 1.00 2.10 H new ATOM 0 HD23 LEU A 78 18.635 -1.201 9.445 1.00 2.10 H new ATOM 1196 N LEU A 79 14.606 0.492 7.456 1.00 23.01 N ATOM 1197 CA LEU A 79 13.409 0.745 6.661 1.00 61.21 C ATOM 1198 C LEU A 79 12.183 0.101 7.300 1.00 62.44 C ATOM 1199 O LEU A 79 12.291 -0.918 7.984 1.00 54.22 O ATOM 1200 CB LEU A 79 13.597 0.213 5.239 1.00 5.13 C ATOM 1201 CG LEU A 79 14.653 0.922 4.391 1.00 62.40 C ATOM 1202 CD1 LEU A 79 14.002 1.936 3.465 1.00 53.42 C ATOM 1203 CD2 LEU A 79 15.688 1.595 5.281 1.00 33.21 C ATOM 0 H LEU A 79 15.175 -0.287 7.125 1.00 23.01 H new ATOM 0 HA LEU A 79 13.250 1.823 6.622 1.00 61.21 H new ATOM 0 HB2 LEU A 79 13.858 -0.844 5.299 1.00 5.13 H new ATOM 0 HB3 LEU A 79 12.641 0.276 4.720 1.00 5.13 H new ATOM 0 HG LEU A 79 15.160 0.176 3.779 1.00 62.40 H new ATOM 0 HD11 LEU A 79 14.770 2.430 2.870 1.00 53.42 H new ATOM 0 HD12 LEU A 79 13.301 1.427 2.803 1.00 53.42 H new ATOM 0 HD13 LEU A 79 13.468 2.679 4.057 1.00 53.42 H new ATOM 0 HD21 LEU A 79 16.432 2.095 4.660 1.00 33.21 H new ATOM 0 HD22 LEU A 79 15.197 2.329 5.920 1.00 33.21 H new ATOM 0 HD23 LEU A 79 16.178 0.844 5.901 1.00 33.21 H new ATOM 1214 N SER A 80 11.019 0.699 7.071 1.00 73.31 N ATOM 1215 CA SER A 80 9.773 0.184 7.625 1.00 13.34 C ATOM 1216 C SER A 80 8.572 0.711 6.845 1.00 70.22 C ATOM 1217 O SER A 80 8.726 1.413 5.845 1.00 61.05 O ATOM 1218 CB SER A 80 9.647 0.572 9.099 1.00 53.15 C ATOM 1219 OG SER A 80 9.336 -0.554 9.900 1.00 25.24 O ATOM 0 H SER A 80 10.913 1.541 6.505 1.00 73.31 H new ATOM 0 HA SER A 80 9.790 -0.903 7.542 1.00 13.34 H new ATOM 0 HB2 SER A 80 10.581 1.018 9.441 1.00 53.15 H new ATOM 0 HB3 SER A 80 8.871 1.329 9.214 1.00 53.15 H new ATOM 0 HG SER A 80 9.263 -0.278 10.838 1.00 25.24 H new ATOM 1224 N LYS A 81 7.375 0.367 7.309 1.00 71.14 N ATOM 1225 CA LYS A 81 6.147 0.804 6.657 1.00 15.31 C ATOM 1226 C LYS A 81 5.519 1.975 7.408 1.00 71.54 C ATOM 1227 O LYS A 81 5.079 2.950 6.800 1.00 61.13 O ATOM 1228 CB LYS A 81 5.150 -0.354 6.573 1.00 34.15 C ATOM 1229 CG LYS A 81 5.356 -1.414 7.640 1.00 52.25 C ATOM 1230 CD LYS A 81 4.096 -2.233 7.864 1.00 55.33 C ATOM 1231 CE LYS A 81 4.086 -3.487 7.004 1.00 4.30 C ATOM 1232 NZ LYS A 81 3.465 -3.242 5.673 1.00 41.24 N ATOM 0 H LYS A 81 7.230 -0.214 8.135 1.00 71.14 H new ATOM 0 HA LYS A 81 6.398 1.134 5.649 1.00 15.31 H new ATOM 0 HB2 LYS A 81 4.138 0.042 6.657 1.00 34.15 H new ATOM 0 HB3 LYS A 81 5.229 -0.820 5.591 1.00 34.15 H new ATOM 0 HG2 LYS A 81 6.172 -2.074 7.346 1.00 52.25 H new ATOM 0 HG3 LYS A 81 5.652 -0.938 8.575 1.00 52.25 H new ATOM 0 HD2 LYS A 81 4.024 -2.511 8.915 1.00 55.33 H new ATOM 0 HD3 LYS A 81 3.220 -1.626 7.634 1.00 55.33 H new ATOM 0 HE2 LYS A 81 5.107 -3.842 6.868 1.00 4.30 H new ATOM 0 HE3 LYS A 81 3.540 -4.277 7.520 1.00 4.30 H new ATOM 0 HZ1 LYS A 81 3.292 -4.151 5.198 1.00 41.24 H new ATOM 0 HZ2 LYS A 81 2.563 -2.739 5.798 1.00 41.24 H new ATOM 0 HZ3 LYS A 81 4.106 -2.665 5.092 1.00 41.24 H new ATOM 1242 N ASP A 82 5.484 1.871 8.732 1.00 50.21 N ATOM 1243 CA ASP A 82 4.913 2.923 9.566 1.00 22.51 C ATOM 1244 C ASP A 82 5.987 3.919 9.994 1.00 12.05 C ATOM 1245 O ASP A 82 5.677 5.007 10.477 1.00 53.11 O ATOM 1246 CB ASP A 82 4.242 2.316 10.799 1.00 2.55 C ATOM 1247 CG ASP A 82 2.741 2.533 10.806 1.00 52.35 C ATOM 1248 OD1 ASP A 82 2.041 1.853 10.028 1.00 2.52 O ATOM 1249 OD2 ASP A 82 2.268 3.384 11.589 1.00 50.21 O ATOM 0 H ASP A 82 5.844 1.070 9.251 1.00 50.21 H new ATOM 0 HA ASP A 82 4.164 3.454 8.978 1.00 22.51 H new ATOM 0 HB2 ASP A 82 4.452 1.247 10.834 1.00 2.55 H new ATOM 0 HB3 ASP A 82 4.674 2.756 11.698 1.00 2.55 H new ATOM 1253 N GLN A 83 7.246 3.537 9.814 1.00 74.11 N ATOM 1254 CA GLN A 83 8.365 4.397 10.183 1.00 51.23 C ATOM 1255 C GLN A 83 8.742 5.324 9.034 1.00 33.55 C ATOM 1256 O GLN A 83 8.969 4.874 7.910 1.00 33.00 O ATOM 1257 CB GLN A 83 9.573 3.552 10.590 1.00 61.14 C ATOM 1258 CG GLN A 83 9.324 2.685 11.814 1.00 53.24 C ATOM 1259 CD GLN A 83 7.849 2.509 12.115 1.00 11.51 C ATOM 1260 OE1 GLN A 83 7.199 1.610 11.385 1.00 22.34 O flip ATOM 1261 NE2 GLN A 83 7.299 3.175 12.994 1.00 42.43 N flip ATOM 0 H GLN A 83 7.518 2.638 9.415 1.00 74.11 H new ATOM 0 HA GLN A 83 8.056 5.008 11.031 1.00 51.23 H new ATOM 0 HB2 GLN A 83 9.857 2.913 9.754 1.00 61.14 H new ATOM 0 HB3 GLN A 83 10.418 4.212 10.788 1.00 61.14 H new ATOM 0 HG2 GLN A 83 9.779 1.706 11.660 1.00 53.24 H new ATOM 0 HG3 GLN A 83 9.816 3.132 12.678 1.00 53.24 H new ATOM 0 HE21 GLN A 83 7.837 3.855 13.531 1.00 42.43 H new ATOM 0 HE22 GLN A 83 6.305 3.046 13.185 1.00 42.43 H new ATOM 1268 N ASP A 84 8.808 6.620 9.320 1.00 22.01 N ATOM 1269 CA ASP A 84 9.158 7.611 8.309 1.00 60.33 C ATOM 1270 C ASP A 84 10.565 7.364 7.771 1.00 42.44 C ATOM 1271 O ASP A 84 11.506 8.081 8.114 1.00 64.50 O ATOM 1272 CB ASP A 84 9.062 9.021 8.892 1.00 10.10 C ATOM 1273 CG ASP A 84 8.875 10.079 7.821 1.00 24.30 C ATOM 1274 OD1 ASP A 84 9.340 9.858 6.684 1.00 12.21 O ATOM 1275 OD2 ASP A 84 8.264 11.126 8.121 1.00 2.01 O ATOM 0 H ASP A 84 8.623 7.009 10.245 1.00 22.01 H new ATOM 0 HA ASP A 84 8.451 7.519 7.484 1.00 60.33 H new ATOM 0 HB2 ASP A 84 8.228 9.066 9.592 1.00 10.10 H new ATOM 0 HB3 ASP A 84 9.967 9.239 9.460 1.00 10.10 H new ATOM 1279 N PHE A 85 10.701 6.345 6.929 1.00 41.43 N ATOM 1280 CA PHE A 85 11.992 6.003 6.346 1.00 61.25 C ATOM 1281 C PHE A 85 12.561 7.178 5.555 1.00 65.25 C ATOM 1282 O PHE A 85 11.922 7.688 4.636 1.00 42.54 O ATOM 1283 CB PHE A 85 11.857 4.778 5.438 1.00 54.14 C ATOM 1284 CG PHE A 85 11.237 5.088 4.106 1.00 22.40 C ATOM 1285 CD1 PHE A 85 10.196 5.995 4.005 1.00 15.52 C ATOM 1286 CD2 PHE A 85 11.695 4.469 2.953 1.00 23.01 C ATOM 1287 CE1 PHE A 85 9.623 6.282 2.781 1.00 15.24 C ATOM 1288 CE2 PHE A 85 11.125 4.751 1.726 1.00 30.43 C ATOM 1289 CZ PHE A 85 10.088 5.658 1.640 1.00 13.03 C ATOM 0 H PHE A 85 9.933 5.742 6.635 1.00 41.43 H new ATOM 0 HA PHE A 85 12.679 5.770 7.159 1.00 61.25 H new ATOM 0 HB2 PHE A 85 12.844 4.343 5.279 1.00 54.14 H new ATOM 0 HB3 PHE A 85 11.254 4.024 5.944 1.00 54.14 H new ATOM 0 HD1 PHE A 85 9.827 6.484 4.894 1.00 15.52 H new ATOM 0 HD2 PHE A 85 12.506 3.759 3.014 1.00 23.01 H new ATOM 0 HE1 PHE A 85 8.813 6.993 2.717 1.00 15.24 H new ATOM 0 HE2 PHE A 85 11.491 4.262 0.835 1.00 30.43 H new ATOM 0 HZ PHE A 85 9.641 5.879 0.682 1.00 13.03 H new ATOM 1298 N SER A 86 13.767 7.601 5.921 1.00 70.31 N ATOM 1299 CA SER A 86 14.421 8.718 5.249 1.00 63.02 C ATOM 1300 C SER A 86 15.246 8.230 4.063 1.00 31.31 C ATOM 1301 O SER A 86 15.388 7.027 3.844 1.00 22.45 O ATOM 1302 CB SER A 86 15.317 9.476 6.231 1.00 22.55 C ATOM 1303 OG SER A 86 15.846 10.649 5.637 1.00 1.04 O ATOM 0 H SER A 86 14.311 7.187 6.679 1.00 70.31 H new ATOM 0 HA SER A 86 13.648 9.391 4.879 1.00 63.02 H new ATOM 0 HB2 SER A 86 14.745 9.741 7.120 1.00 22.55 H new ATOM 0 HB3 SER A 86 16.132 8.830 6.557 1.00 22.55 H new ATOM 0 HG SER A 86 16.414 11.116 6.285 1.00 1.04 H new ATOM 1308 N TRP A 87 15.788 9.173 3.300 1.00 11.35 N ATOM 1309 CA TRP A 87 16.599 8.840 2.134 1.00 51.41 C ATOM 1310 C TRP A 87 17.886 8.137 2.549 1.00 1.22 C ATOM 1311 O TRP A 87 18.373 7.249 1.848 1.00 54.53 O ATOM 1312 CB TRP A 87 16.928 10.105 1.339 1.00 5.04 C ATOM 1313 CG TRP A 87 15.961 10.375 0.226 1.00 10.32 C ATOM 1314 CD1 TRP A 87 15.197 11.494 0.057 1.00 13.45 C ATOM 1315 CD2 TRP A 87 15.654 9.507 -0.871 1.00 13.52 C ATOM 1316 NE1 TRP A 87 14.433 11.376 -1.079 1.00 21.25 N ATOM 1317 CE2 TRP A 87 14.695 10.166 -1.667 1.00 54.43 C ATOM 1318 CE3 TRP A 87 16.096 8.241 -1.260 1.00 21.02 C ATOM 1319 CZ2 TRP A 87 14.173 9.598 -2.826 1.00 22.13 C ATOM 1320 CZ3 TRP A 87 15.576 7.678 -2.411 1.00 64.23 C ATOM 1321 CH2 TRP A 87 14.624 8.356 -3.183 1.00 0.30 C ATOM 0 H TRP A 87 15.681 10.173 3.468 1.00 11.35 H new ATOM 0 HA TRP A 87 16.024 8.162 1.504 1.00 51.41 H new ATOM 0 HB2 TRP A 87 16.939 10.959 2.016 1.00 5.04 H new ATOM 0 HB3 TRP A 87 17.932 10.014 0.924 1.00 5.04 H new ATOM 0 HD1 TRP A 87 15.194 12.347 0.719 1.00 13.45 H new ATOM 0 HE1 TRP A 87 13.777 12.075 -1.428 1.00 21.25 H new ATOM 0 HE3 TRP A 87 16.831 7.711 -0.672 1.00 21.02 H new ATOM 0 HZ2 TRP A 87 13.438 10.119 -3.422 1.00 22.13 H new ATOM 0 HZ3 TRP A 87 15.910 6.698 -2.720 1.00 64.23 H new ATOM 0 HH2 TRP A 87 14.238 7.890 -4.077 1.00 0.30 H new ATOM 1331 N SER A 88 18.433 8.538 3.693 1.00 11.32 N ATOM 1332 CA SER A 88 19.666 7.948 4.199 1.00 72.13 C ATOM 1333 C SER A 88 19.528 6.435 4.334 1.00 64.25 C ATOM 1334 O SER A 88 20.493 5.695 4.146 1.00 24.32 O ATOM 1335 CB SER A 88 20.032 8.561 5.552 1.00 13.43 C ATOM 1336 OG SER A 88 21.367 8.247 5.910 1.00 51.41 O ATOM 0 H SER A 88 18.041 9.269 4.286 1.00 11.32 H new ATOM 0 HA SER A 88 20.462 8.161 3.485 1.00 72.13 H new ATOM 0 HB2 SER A 88 19.908 9.643 5.510 1.00 13.43 H new ATOM 0 HB3 SER A 88 19.350 8.192 6.318 1.00 13.43 H new ATOM 0 HG SER A 88 21.577 8.652 6.778 1.00 51.41 H new ATOM 1341 N GLN A 89 18.322 5.983 4.662 1.00 75.12 N ATOM 1342 CA GLN A 89 18.058 4.558 4.823 1.00 54.31 C ATOM 1343 C GLN A 89 18.040 3.852 3.472 1.00 1.21 C ATOM 1344 O GLN A 89 18.611 2.772 3.316 1.00 34.41 O ATOM 1345 CB GLN A 89 16.725 4.344 5.543 1.00 60.22 C ATOM 1346 CG GLN A 89 16.292 5.530 6.388 1.00 14.03 C ATOM 1347 CD GLN A 89 15.687 5.113 7.714 1.00 23.11 C ATOM 1348 OE1 GLN A 89 14.637 5.615 8.117 1.00 74.43 O ATOM 1349 NE2 GLN A 89 16.347 4.188 8.401 1.00 60.40 N ATOM 0 H GLN A 89 17.512 6.583 4.821 1.00 75.12 H new ATOM 0 HA GLN A 89 18.860 4.130 5.424 1.00 54.31 H new ATOM 0 HB2 GLN A 89 15.952 4.134 4.804 1.00 60.22 H new ATOM 0 HB3 GLN A 89 16.804 3.464 6.181 1.00 60.22 H new ATOM 0 HG2 GLN A 89 17.152 6.173 6.572 1.00 14.03 H new ATOM 0 HG3 GLN A 89 15.565 6.121 5.831 1.00 14.03 H new ATOM 0 HE21 GLN A 89 17.214 3.799 8.030 1.00 60.40 H new ATOM 0 HE22 GLN A 89 15.987 3.867 9.300 1.00 60.40 H new ATOM 1356 N LEU A 90 17.379 4.467 2.497 1.00 13.01 N ATOM 1357 CA LEU A 90 17.285 3.897 1.158 1.00 63.31 C ATOM 1358 C LEU A 90 18.669 3.564 0.609 1.00 50.23 C ATOM 1359 O LEU A 90 18.944 2.423 0.237 1.00 44.51 O ATOM 1360 CB LEU A 90 16.572 4.869 0.217 1.00 33.33 C ATOM 1361 CG LEU A 90 15.242 5.435 0.718 1.00 62.20 C ATOM 1362 CD1 LEU A 90 14.403 5.935 -0.447 1.00 11.44 C ATOM 1363 CD2 LEU A 90 14.481 4.383 1.513 1.00 71.23 C ATOM 0 H LEU A 90 16.900 5.361 2.609 1.00 13.01 H new ATOM 0 HA LEU A 90 16.708 2.974 1.223 1.00 63.31 H new ATOM 0 HB2 LEU A 90 17.244 5.702 0.011 1.00 33.33 H new ATOM 0 HB3 LEU A 90 16.394 4.361 -0.731 1.00 33.33 H new ATOM 0 HG LEU A 90 15.452 6.278 1.376 1.00 62.20 H new ATOM 0 HD11 LEU A 90 13.461 6.334 -0.072 1.00 11.44 H new ATOM 0 HD12 LEU A 90 14.945 6.720 -0.975 1.00 11.44 H new ATOM 0 HD13 LEU A 90 14.201 5.110 -1.130 1.00 11.44 H new ATOM 0 HD21 LEU A 90 13.537 4.803 1.862 1.00 71.23 H new ATOM 0 HD22 LEU A 90 14.282 3.520 0.877 1.00 71.23 H new ATOM 0 HD23 LEU A 90 15.078 4.072 2.370 1.00 71.23 H new ATOM 1374 N VAL A 91 19.539 4.568 0.565 1.00 52.13 N ATOM 1375 CA VAL A 91 20.896 4.382 0.066 1.00 63.34 C ATOM 1376 C VAL A 91 21.659 3.366 0.910 1.00 3.42 C ATOM 1377 O VAL A 91 22.526 2.652 0.408 1.00 11.00 O ATOM 1378 CB VAL A 91 21.677 5.709 0.052 1.00 41.01 C ATOM 1379 CG1 VAL A 91 21.112 6.650 -1.001 1.00 13.42 C ATOM 1380 CG2 VAL A 91 21.649 6.358 1.428 1.00 43.41 C ATOM 0 H VAL A 91 19.328 5.519 0.869 1.00 52.13 H new ATOM 0 HA VAL A 91 20.808 4.010 -0.955 1.00 63.34 H new ATOM 0 HB VAL A 91 22.715 5.497 -0.204 1.00 41.01 H new ATOM 0 HG11 VAL A 91 21.676 7.582 -0.996 1.00 13.42 H new ATOM 0 HG12 VAL A 91 21.189 6.185 -1.984 1.00 13.42 H new ATOM 0 HG13 VAL A 91 20.065 6.858 -0.779 1.00 13.42 H new ATOM 0 HG21 VAL A 91 22.206 7.295 1.400 1.00 43.41 H new ATOM 0 HG22 VAL A 91 20.617 6.558 1.715 1.00 43.41 H new ATOM 0 HG23 VAL A 91 22.105 5.687 2.156 1.00 43.41 H new ATOM 1390 N MET A 92 21.326 3.306 2.196 1.00 72.31 N ATOM 1391 CA MET A 92 21.978 2.376 3.110 1.00 70.34 C ATOM 1392 C MET A 92 21.676 0.931 2.723 1.00 71.11 C ATOM 1393 O MET A 92 22.560 0.074 2.743 1.00 73.33 O ATOM 1394 CB MET A 92 21.523 2.637 4.547 1.00 72.35 C ATOM 1395 CG MET A 92 22.561 2.257 5.591 1.00 54.33 C ATOM 1396 SD MET A 92 23.122 0.551 5.427 1.00 11.51 S ATOM 1397 CE MET A 92 21.562 -0.326 5.511 1.00 60.42 C ATOM 0 H MET A 92 20.609 3.890 2.628 1.00 72.31 H new ATOM 0 HA MET A 92 23.054 2.534 3.043 1.00 70.34 H new ATOM 0 HB2 MET A 92 21.280 3.694 4.656 1.00 72.35 H new ATOM 0 HB3 MET A 92 20.607 2.078 4.737 1.00 72.35 H new ATOM 0 HG2 MET A 92 23.417 2.926 5.506 1.00 54.33 H new ATOM 0 HG3 MET A 92 22.140 2.402 6.586 1.00 54.33 H new ATOM 0 HE1 MET A 92 21.715 -1.368 5.231 1.00 60.42 H new ATOM 0 HE2 MET A 92 21.171 -0.277 6.527 1.00 60.42 H new ATOM 0 HE3 MET A 92 20.849 0.133 4.826 1.00 60.42 H new ATOM 1405 N LEU A 93 20.422 0.669 2.372 1.00 65.41 N ATOM 1406 CA LEU A 93 20.003 -0.673 1.980 1.00 45.32 C ATOM 1407 C LEU A 93 20.818 -1.173 0.792 1.00 62.20 C ATOM 1408 O LEU A 93 21.279 -2.315 0.779 1.00 74.32 O ATOM 1409 CB LEU A 93 18.513 -0.681 1.632 1.00 64.42 C ATOM 1410 CG LEU A 93 17.558 -1.028 2.775 1.00 21.23 C ATOM 1411 CD1 LEU A 93 16.168 -1.326 2.236 1.00 25.53 C ATOM 1412 CD2 LEU A 93 18.088 -2.211 3.573 1.00 33.21 C ATOM 0 H LEU A 93 19.678 1.367 2.351 1.00 65.41 H new ATOM 0 HA LEU A 93 20.177 -1.342 2.822 1.00 45.32 H new ATOM 0 HB2 LEU A 93 18.245 0.303 1.248 1.00 64.42 H new ATOM 0 HB3 LEU A 93 18.353 -1.394 0.823 1.00 64.42 H new ATOM 0 HG LEU A 93 17.491 -0.168 3.441 1.00 21.23 H new ATOM 0 HD11 LEU A 93 15.502 -1.571 3.063 1.00 25.53 H new ATOM 0 HD12 LEU A 93 15.787 -0.451 1.710 1.00 25.53 H new ATOM 0 HD13 LEU A 93 16.218 -2.170 1.548 1.00 25.53 H new ATOM 0 HD21 LEU A 93 17.396 -2.444 4.382 1.00 33.21 H new ATOM 0 HD22 LEU A 93 18.185 -3.077 2.918 1.00 33.21 H new ATOM 0 HD23 LEU A 93 19.063 -1.961 3.991 1.00 33.21 H new ATOM 1423 N LEU A 94 20.992 -0.312 -0.204 1.00 72.34 N ATOM 1424 CA LEU A 94 21.755 -0.665 -1.396 1.00 14.33 C ATOM 1425 C LEU A 94 23.190 -1.034 -1.036 1.00 53.02 C ATOM 1426 O LEU A 94 23.756 -1.977 -1.587 1.00 3.34 O ATOM 1427 CB LEU A 94 21.749 0.497 -2.391 1.00 31.33 C ATOM 1428 CG LEU A 94 20.403 0.816 -3.044 1.00 50.23 C ATOM 1429 CD1 LEU A 94 19.365 -0.229 -2.663 1.00 13.04 C ATOM 1430 CD2 LEU A 94 19.932 2.207 -2.643 1.00 72.52 C ATOM 0 H LEU A 94 20.615 0.636 -0.210 1.00 72.34 H new ATOM 0 HA LEU A 94 21.282 -1.533 -1.856 1.00 14.33 H new ATOM 0 HB2 LEU A 94 22.101 1.391 -1.877 1.00 31.33 H new ATOM 0 HB3 LEU A 94 22.469 0.278 -3.179 1.00 31.33 H new ATOM 0 HG LEU A 94 20.532 0.795 -4.126 1.00 50.23 H new ATOM 0 HD11 LEU A 94 18.414 0.014 -3.136 1.00 13.04 H new ATOM 0 HD12 LEU A 94 19.697 -1.211 -2.999 1.00 13.04 H new ATOM 0 HD13 LEU A 94 19.239 -0.239 -1.580 1.00 13.04 H new ATOM 0 HD21 LEU A 94 18.973 2.417 -3.117 1.00 72.52 H new ATOM 0 HD22 LEU A 94 19.820 2.255 -1.560 1.00 72.52 H new ATOM 0 HD23 LEU A 94 20.665 2.946 -2.965 1.00 72.52 H new ATOM 1441 N ALA A 95 23.773 -0.284 -0.106 1.00 42.22 N ATOM 1442 CA ALA A 95 25.141 -0.535 0.331 1.00 3.43 C ATOM 1443 C ALA A 95 25.260 -1.897 1.007 1.00 13.31 C ATOM 1444 O ALA A 95 26.034 -2.750 0.575 1.00 2.34 O ATOM 1445 CB ALA A 95 25.604 0.567 1.273 1.00 71.10 C ATOM 0 H ALA A 95 23.319 0.502 0.359 1.00 42.22 H new ATOM 0 HA ALA A 95 25.783 -0.539 -0.550 1.00 3.43 H new ATOM 0 HB1 ALA A 95 26.627 0.367 1.592 1.00 71.10 H new ATOM 0 HB2 ALA A 95 25.565 1.527 0.757 1.00 71.10 H new ATOM 0 HB3 ALA A 95 24.952 0.598 2.146 1.00 71.10 H new ATOM 1451 N PHE A 96 24.489 -2.092 2.072 1.00 4.24 N ATOM 1452 CA PHE A 96 24.509 -3.350 2.810 1.00 32.23 C ATOM 1453 C PHE A 96 24.292 -4.534 1.871 1.00 3.51 C ATOM 1454 O PHE A 96 25.138 -5.420 1.766 1.00 63.02 O ATOM 1455 CB PHE A 96 23.436 -3.344 3.900 1.00 2.25 C ATOM 1456 CG PHE A 96 23.494 -4.542 4.805 1.00 15.34 C ATOM 1457 CD1 PHE A 96 24.388 -4.585 5.862 1.00 74.34 C ATOM 1458 CD2 PHE A 96 22.653 -5.624 4.599 1.00 72.32 C ATOM 1459 CE1 PHE A 96 24.444 -5.685 6.696 1.00 71.41 C ATOM 1460 CE2 PHE A 96 22.705 -6.728 5.429 1.00 41.43 C ATOM 1461 CZ PHE A 96 23.601 -6.757 6.481 1.00 22.53 C ATOM 0 H PHE A 96 23.843 -1.395 2.443 1.00 4.24 H new ATOM 0 HA PHE A 96 25.489 -3.454 3.277 1.00 32.23 H new ATOM 0 HB2 PHE A 96 23.544 -2.440 4.500 1.00 2.25 H new ATOM 0 HB3 PHE A 96 22.453 -3.300 3.431 1.00 2.25 H new ATOM 0 HD1 PHE A 96 25.049 -3.749 6.036 1.00 74.34 H new ATOM 0 HD2 PHE A 96 21.949 -5.604 3.780 1.00 72.32 H new ATOM 0 HE1 PHE A 96 25.147 -5.706 7.516 1.00 71.41 H new ATOM 0 HE2 PHE A 96 22.047 -7.566 5.256 1.00 41.43 H new ATOM 0 HZ PHE A 96 23.642 -7.617 7.134 1.00 22.53 H new ATOM 1470 N ALA A 97 23.148 -4.541 1.193 1.00 72.23 N ATOM 1471 CA ALA A 97 22.819 -5.615 0.263 1.00 14.44 C ATOM 1472 C ALA A 97 24.056 -6.084 -0.494 1.00 75.40 C ATOM 1473 O ALA A 97 24.341 -7.279 -0.558 1.00 4.44 O ATOM 1474 CB ALA A 97 21.743 -5.157 -0.711 1.00 14.41 C ATOM 0 H ALA A 97 22.435 -3.816 1.270 1.00 72.23 H new ATOM 0 HA ALA A 97 22.438 -6.458 0.839 1.00 14.44 H new ATOM 0 HB1 ALA A 97 21.507 -5.968 -1.400 1.00 14.41 H new ATOM 0 HB2 ALA A 97 20.846 -4.878 -0.158 1.00 14.41 H new ATOM 0 HB3 ALA A 97 22.104 -4.297 -1.274 1.00 14.41 H new ATOM 1480 N GLY A 98 24.789 -5.135 -1.069 1.00 12.40 N ATOM 1481 CA GLY A 98 25.987 -5.471 -1.815 1.00 63.22 C ATOM 1482 C GLY A 98 27.106 -5.967 -0.922 1.00 65.14 C ATOM 1483 O GLY A 98 27.960 -6.742 -1.356 1.00 50.53 O ATOM 0 H GLY A 98 24.574 -4.139 -1.031 1.00 12.40 H new ATOM 0 HA2 GLY A 98 25.749 -6.237 -2.553 1.00 63.22 H new ATOM 0 HA3 GLY A 98 26.327 -4.593 -2.365 1.00 63.22 H new ATOM 1487 N THR A 99 27.105 -5.520 0.330 1.00 10.42 N ATOM 1488 CA THR A 99 28.129 -5.921 1.286 1.00 74.40 C ATOM 1489 C THR A 99 27.980 -7.389 1.669 1.00 10.24 C ATOM 1490 O THR A 99 28.949 -8.042 2.058 1.00 32.41 O ATOM 1491 CB THR A 99 28.073 -5.062 2.563 1.00 74.43 C ATOM 1492 OG1 THR A 99 29.396 -4.852 3.070 1.00 2.41 O ATOM 1493 CG2 THR A 99 27.215 -5.729 3.628 1.00 73.54 C ATOM 0 H THR A 99 26.406 -4.880 0.705 1.00 10.42 H new ATOM 0 HA THR A 99 29.092 -5.771 0.798 1.00 74.40 H new ATOM 0 HB THR A 99 27.625 -4.101 2.309 1.00 74.43 H new ATOM 0 HG1 THR A 99 30.014 -4.713 2.323 1.00 2.41 H new ATOM 0 HG21 THR A 99 27.191 -5.103 4.520 1.00 73.54 H new ATOM 0 HG22 THR A 99 26.201 -5.860 3.249 1.00 73.54 H new ATOM 0 HG23 THR A 99 27.637 -6.702 3.879 1.00 73.54 H new ATOM 1501 N LEU A 100 26.760 -7.904 1.557 1.00 33.50 N ATOM 1502 CA LEU A 100 26.484 -9.297 1.890 1.00 13.45 C ATOM 1503 C LEU A 100 26.804 -10.213 0.713 1.00 43.15 C ATOM 1504 O LEU A 100 27.484 -11.227 0.871 1.00 53.11 O ATOM 1505 CB LEU A 100 25.018 -9.463 2.296 1.00 64.20 C ATOM 1506 CG LEU A 100 24.368 -8.257 2.973 1.00 74.32 C ATOM 1507 CD1 LEU A 100 22.890 -8.514 3.217 1.00 11.53 C ATOM 1508 CD2 LEU A 100 25.078 -7.932 4.280 1.00 5.34 C ATOM 0 H LEU A 100 25.947 -7.378 1.238 1.00 33.50 H new ATOM 0 HA LEU A 100 27.122 -9.578 2.728 1.00 13.45 H new ATOM 0 HB2 LEU A 100 24.441 -9.709 1.405 1.00 64.20 H new ATOM 0 HB3 LEU A 100 24.943 -10.317 2.970 1.00 64.20 H new ATOM 0 HG LEU A 100 24.461 -7.398 2.309 1.00 74.32 H new ATOM 0 HD11 LEU A 100 22.444 -7.644 3.700 1.00 11.53 H new ATOM 0 HD12 LEU A 100 22.391 -8.697 2.266 1.00 11.53 H new ATOM 0 HD13 LEU A 100 22.774 -9.386 3.861 1.00 11.53 H new ATOM 0 HD21 LEU A 100 24.602 -7.071 4.748 1.00 5.34 H new ATOM 0 HD22 LEU A 100 25.017 -8.789 4.950 1.00 5.34 H new ATOM 0 HD23 LEU A 100 26.124 -7.703 4.078 1.00 5.34 H new ATOM 1519 N MET A 101 26.313 -9.847 -0.466 1.00 50.34 N ATOM 1520 CA MET A 101 26.551 -10.634 -1.670 1.00 2.42 C ATOM 1521 C MET A 101 27.913 -11.317 -1.613 1.00 40.03 C ATOM 1522 O MET A 101 28.948 -10.654 -1.547 1.00 25.14 O ATOM 1523 CB MET A 101 26.465 -9.744 -2.912 1.00 25.42 C ATOM 1524 CG MET A 101 27.442 -10.137 -4.009 1.00 52.52 C ATOM 1525 SD MET A 101 26.732 -9.982 -5.660 1.00 54.44 S ATOM 1526 CE MET A 101 25.227 -10.935 -5.472 1.00 42.14 C ATOM 0 H MET A 101 25.748 -9.011 -0.613 1.00 50.34 H new ATOM 0 HA MET A 101 25.781 -11.403 -1.729 1.00 2.42 H new ATOM 0 HB2 MET A 101 25.450 -9.784 -3.309 1.00 25.42 H new ATOM 0 HB3 MET A 101 26.653 -8.710 -2.622 1.00 25.42 H new ATOM 0 HG2 MET A 101 28.331 -9.510 -3.940 1.00 52.52 H new ATOM 0 HG3 MET A 101 27.764 -11.166 -3.851 1.00 52.52 H new ATOM 0 HE1 MET A 101 24.813 -11.160 -6.455 1.00 42.14 H new ATOM 0 HE2 MET A 101 25.449 -11.866 -4.950 1.00 42.14 H new ATOM 0 HE3 MET A 101 24.502 -10.360 -4.896 1.00 42.14 H new ATOM 1534 N ASN A 102 27.906 -12.646 -1.638 1.00 20.04 N ATOM 1535 CA ASN A 102 29.142 -13.419 -1.589 1.00 52.32 C ATOM 1536 C ASN A 102 29.585 -13.829 -2.989 1.00 13.25 C ATOM 1537 O ASN A 102 28.789 -13.821 -3.928 1.00 32.45 O ATOM 1538 CB ASN A 102 28.957 -14.661 -0.716 1.00 3.20 C ATOM 1539 CG ASN A 102 28.919 -15.940 -1.531 1.00 2.43 C ATOM 1540 OD1 ASN A 102 28.100 -15.952 -2.576 1.00 13.41 O flip ATOM 1541 ND2 ASN A 102 29.619 -16.906 -1.224 1.00 54.42 N flip ATOM 0 H ASN A 102 27.058 -13.210 -1.692 1.00 20.04 H new ATOM 0 HA ASN A 102 29.917 -12.789 -1.153 1.00 52.32 H new ATOM 0 HB2 ASN A 102 29.771 -14.718 0.007 1.00 3.20 H new ATOM 0 HB3 ASN A 102 28.032 -14.568 -0.148 1.00 3.20 H new ATOM 0 HD21 ASN A 102 30.234 -16.852 -0.412 1.00 54.42 H new ATOM 0 HD22 ASN A 102 29.583 -17.759 -1.782 1.00 54.42 H new ATOM 1817 N VAL A 121 26.283 -14.863 -7.800 1.00 4.25 N ATOM 1818 CA VAL A 121 25.939 -13.447 -7.843 1.00 23.21 C ATOM 1819 C VAL A 121 24.534 -13.239 -8.397 1.00 2.12 C ATOM 1820 O VAL A 121 23.776 -12.405 -7.902 1.00 52.22 O ATOM 1821 CB VAL A 121 26.941 -12.652 -8.702 1.00 63.12 C ATOM 1822 CG1 VAL A 121 27.485 -13.519 -9.826 1.00 22.52 C ATOM 1823 CG2 VAL A 121 26.287 -11.395 -9.255 1.00 52.32 C ATOM 0 HA VAL A 121 25.980 -13.080 -6.817 1.00 23.21 H new ATOM 0 HB VAL A 121 27.777 -12.351 -8.071 1.00 63.12 H new ATOM 0 HG11 VAL A 121 28.191 -12.941 -10.422 1.00 22.52 H new ATOM 0 HG12 VAL A 121 27.992 -14.387 -9.404 1.00 22.52 H new ATOM 0 HG13 VAL A 121 26.663 -13.852 -10.459 1.00 22.52 H new ATOM 0 HG21 VAL A 121 27.009 -10.845 -9.859 1.00 52.32 H new ATOM 0 HG22 VAL A 121 25.432 -11.671 -9.872 1.00 52.32 H new ATOM 0 HG23 VAL A 121 25.951 -10.767 -8.430 1.00 52.32 H new ATOM 1833 N THR A 122 24.191 -14.006 -9.429 1.00 55.43 N ATOM 1834 CA THR A 122 22.877 -13.905 -10.051 1.00 35.02 C ATOM 1835 C THR A 122 21.783 -14.388 -9.107 1.00 25.25 C ATOM 1836 O THR A 122 20.769 -13.715 -8.921 1.00 45.23 O ATOM 1837 CB THR A 122 22.811 -14.720 -11.356 1.00 24.35 C ATOM 1838 OG1 THR A 122 21.704 -14.283 -12.152 1.00 3.33 O ATOM 1839 CG2 THR A 122 22.674 -16.206 -11.060 1.00 52.51 C ATOM 0 H THR A 122 24.805 -14.703 -9.850 1.00 55.43 H new ATOM 0 HA THR A 122 22.715 -12.852 -10.280 1.00 35.02 H new ATOM 0 HB THR A 122 23.739 -14.559 -11.905 1.00 24.35 H new ATOM 0 HG1 THR A 122 21.671 -14.805 -12.981 1.00 3.33 H new ATOM 0 HG21 THR A 122 22.629 -16.761 -11.997 1.00 52.51 H new ATOM 0 HG22 THR A 122 23.533 -16.542 -10.480 1.00 52.51 H new ATOM 0 HG23 THR A 122 21.761 -16.381 -10.491 1.00 52.51 H new ATOM 1847 N ARG A 123 21.995 -15.558 -8.513 1.00 20.20 N ATOM 1848 CA ARG A 123 21.025 -16.132 -7.587 1.00 20.24 C ATOM 1849 C ARG A 123 20.905 -15.279 -6.328 1.00 70.53 C ATOM 1850 O ARG A 123 19.802 -14.956 -5.888 1.00 32.11 O ATOM 1851 CB ARG A 123 21.428 -17.559 -7.214 1.00 44.13 C ATOM 1852 CG ARG A 123 22.543 -17.628 -6.183 1.00 2.31 C ATOM 1853 CD ARG A 123 22.943 -19.065 -5.888 1.00 12.33 C ATOM 1854 NE ARG A 123 22.829 -19.385 -4.467 1.00 72.41 N ATOM 1855 CZ ARG A 123 21.679 -19.676 -3.869 1.00 54.51 C ATOM 1856 NH1 ARG A 123 20.550 -19.687 -4.565 1.00 53.34 N ATOM 1857 NH2 ARG A 123 21.657 -19.955 -2.573 1.00 51.22 N ATOM 0 H ARG A 123 22.829 -16.127 -8.656 1.00 20.20 H new ATOM 0 HA ARG A 123 20.055 -16.154 -8.083 1.00 20.24 H new ATOM 0 HB2 ARG A 123 20.555 -18.085 -6.828 1.00 44.13 H new ATOM 0 HB3 ARG A 123 21.744 -18.085 -8.115 1.00 44.13 H new ATOM 0 HG2 ARG A 123 23.410 -17.075 -6.546 1.00 2.31 H new ATOM 0 HG3 ARG A 123 22.219 -17.143 -5.262 1.00 2.31 H new ATOM 0 HD2 ARG A 123 22.312 -19.742 -6.464 1.00 12.33 H new ATOM 0 HD3 ARG A 123 23.970 -19.230 -6.215 1.00 12.33 H new ATOM 0 HE ARG A 123 23.679 -19.385 -3.903 1.00 72.41 H new ATOM 0 HH11 ARG A 123 20.563 -19.472 -5.562 1.00 53.34 H new ATOM 0 HH12 ARG A 123 19.668 -19.911 -4.103 1.00 53.34 H new ATOM 0 HH21 ARG A 123 22.523 -19.946 -2.035 1.00 51.22 H new ATOM 0 HH22 ARG A 123 20.774 -20.178 -2.114 1.00 51.22 H new ATOM 1868 N ASP A 124 22.048 -14.920 -5.753 1.00 44.51 N ATOM 1869 CA ASP A 124 22.071 -14.105 -4.544 1.00 14.33 C ATOM 1870 C ASP A 124 21.577 -12.691 -4.832 1.00 14.15 C ATOM 1871 O ASP A 124 21.023 -12.025 -3.957 1.00 41.53 O ATOM 1872 CB ASP A 124 23.485 -14.054 -3.964 1.00 20.50 C ATOM 1873 CG ASP A 124 23.925 -15.389 -3.396 1.00 44.31 C ATOM 1874 OD1 ASP A 124 23.132 -16.010 -2.658 1.00 41.42 O ATOM 1875 OD2 ASP A 124 25.062 -15.814 -3.688 1.00 73.13 O ATOM 0 H ASP A 124 22.970 -15.180 -6.104 1.00 44.51 H new ATOM 0 HA ASP A 124 21.403 -14.563 -3.815 1.00 14.33 H new ATOM 0 HB2 ASP A 124 24.183 -13.745 -4.742 1.00 20.50 H new ATOM 0 HB3 ASP A 124 23.526 -13.297 -3.180 1.00 20.50 H new ATOM 1879 N CYS A 125 21.781 -12.238 -6.064 1.00 12.22 N ATOM 1880 CA CYS A 125 21.357 -10.901 -6.468 1.00 25.31 C ATOM 1881 C CYS A 125 19.838 -10.823 -6.580 1.00 60.24 C ATOM 1882 O CYS A 125 19.228 -9.824 -6.196 1.00 34.04 O ATOM 1883 CB CYS A 125 21.999 -10.522 -7.804 1.00 50.52 C ATOM 1884 SG CYS A 125 21.247 -9.084 -8.602 1.00 53.15 S ATOM 0 H CYS A 125 22.237 -12.776 -6.801 1.00 12.22 H new ATOM 0 HA CYS A 125 21.683 -10.196 -5.703 1.00 25.31 H new ATOM 0 HB2 CYS A 125 23.058 -10.322 -7.642 1.00 50.52 H new ATOM 0 HB3 CYS A 125 21.935 -11.374 -8.480 1.00 50.52 H new ATOM 0 HG CYS A 125 21.859 -8.840 -9.723 1.00 53.15 H new ATOM 1889 N CYS A 126 19.234 -11.881 -7.108 1.00 63.32 N ATOM 1890 CA CYS A 126 17.785 -11.932 -7.273 1.00 50.23 C ATOM 1891 C CYS A 126 17.084 -11.946 -5.919 1.00 40.11 C ATOM 1892 O CYS A 126 16.072 -11.272 -5.724 1.00 20.24 O ATOM 1893 CB CYS A 126 17.386 -13.168 -8.081 1.00 52.32 C ATOM 1894 SG CYS A 126 15.685 -13.131 -8.694 1.00 73.22 S ATOM 0 H CYS A 126 19.725 -12.716 -7.429 1.00 63.32 H new ATOM 0 HA CYS A 126 17.474 -11.038 -7.813 1.00 50.23 H new ATOM 0 HB2 CYS A 126 18.064 -13.270 -8.928 1.00 52.32 H new ATOM 0 HB3 CYS A 126 17.518 -14.054 -7.459 1.00 52.32 H new ATOM 0 HG CYS A 126 15.442 -14.217 -9.366 1.00 73.22 H new ATOM 1899 N LEU A 127 17.628 -12.720 -4.986 1.00 1.42 N ATOM 1900 CA LEU A 127 17.053 -12.824 -3.649 1.00 50.22 C ATOM 1901 C LEU A 127 17.360 -11.577 -2.826 1.00 54.04 C ATOM 1902 O LEU A 127 16.455 -10.931 -2.297 1.00 2.14 O ATOM 1903 CB LEU A 127 17.593 -14.064 -2.935 1.00 25.42 C ATOM 1904 CG LEU A 127 19.114 -14.195 -2.875 1.00 64.34 C ATOM 1905 CD1 LEU A 127 19.665 -13.479 -1.652 1.00 53.41 C ATOM 1906 CD2 LEU A 127 19.524 -15.662 -2.864 1.00 14.10 C ATOM 0 H LEU A 127 18.465 -13.284 -5.130 1.00 1.42 H new ATOM 0 HA LEU A 127 15.972 -12.913 -3.752 1.00 50.22 H new ATOM 0 HB2 LEU A 127 17.208 -14.068 -1.915 1.00 25.42 H new ATOM 0 HB3 LEU A 127 17.192 -14.948 -3.431 1.00 25.42 H new ATOM 0 HG LEU A 127 19.534 -13.726 -3.765 1.00 64.34 H new ATOM 0 HD11 LEU A 127 20.750 -13.584 -1.627 1.00 53.41 H new ATOM 0 HD12 LEU A 127 19.404 -12.422 -1.701 1.00 53.41 H new ATOM 0 HD13 LEU A 127 19.237 -13.917 -0.750 1.00 53.41 H new ATOM 0 HD21 LEU A 127 20.611 -15.736 -2.821 1.00 14.10 H new ATOM 0 HD22 LEU A 127 19.092 -16.154 -1.992 1.00 14.10 H new ATOM 0 HD23 LEU A 127 19.163 -16.148 -3.771 1.00 14.10 H new ATOM 1917 N ILE A 128 18.642 -11.243 -2.723 1.00 62.11 N ATOM 1918 CA ILE A 128 19.068 -10.071 -1.967 1.00 22.41 C ATOM 1919 C ILE A 128 18.347 -8.816 -2.447 1.00 44.13 C ATOM 1920 O ILE A 128 17.826 -8.042 -1.644 1.00 4.24 O ATOM 1921 CB ILE A 128 20.589 -9.851 -2.079 1.00 4.42 C ATOM 1922 CG1 ILE A 128 21.109 -9.104 -0.849 1.00 23.12 C ATOM 1923 CG2 ILE A 128 20.920 -9.086 -3.351 1.00 54.25 C ATOM 1924 CD1 ILE A 128 22.551 -9.418 -0.518 1.00 72.31 C ATOM 0 H ILE A 128 19.404 -11.767 -3.153 1.00 62.11 H new ATOM 0 HA ILE A 128 18.812 -10.258 -0.924 1.00 22.41 H new ATOM 0 HB ILE A 128 21.081 -10.823 -2.125 1.00 4.42 H new ATOM 0 HG12 ILE A 128 21.008 -8.032 -1.015 1.00 23.12 H new ATOM 0 HG13 ILE A 128 20.485 -9.354 0.009 1.00 23.12 H new ATOM 0 HG21 ILE A 128 21.998 -8.938 -3.417 1.00 54.25 H new ATOM 0 HG22 ILE A 128 20.578 -9.654 -4.216 1.00 54.25 H new ATOM 0 HG23 ILE A 128 20.421 -8.117 -3.333 1.00 54.25 H new ATOM 0 HD11 ILE A 128 22.853 -8.854 0.364 1.00 72.31 H new ATOM 0 HD12 ILE A 128 22.655 -10.485 -0.320 1.00 72.31 H new ATOM 0 HD13 ILE A 128 23.186 -9.142 -1.360 1.00 72.31 H new ATOM 1935 N VAL A 129 18.320 -8.622 -3.760 1.00 33.35 N ATOM 1936 CA VAL A 129 17.660 -7.462 -4.348 1.00 32.23 C ATOM 1937 C VAL A 129 16.144 -7.590 -4.261 1.00 13.44 C ATOM 1938 O VAL A 129 15.433 -6.593 -4.134 1.00 32.13 O ATOM 1939 CB VAL A 129 18.064 -7.274 -5.823 1.00 51.33 C ATOM 1940 CG1 VAL A 129 17.489 -5.977 -6.373 1.00 0.15 C ATOM 1941 CG2 VAL A 129 19.578 -7.298 -5.968 1.00 44.12 C ATOM 0 H VAL A 129 18.747 -9.253 -4.438 1.00 33.35 H new ATOM 0 HA VAL A 129 17.982 -6.591 -3.777 1.00 32.23 H new ATOM 0 HB VAL A 129 17.653 -8.101 -6.402 1.00 51.33 H new ATOM 0 HG11 VAL A 129 17.785 -5.861 -7.416 1.00 0.15 H new ATOM 0 HG12 VAL A 129 16.401 -6.003 -6.305 1.00 0.15 H new ATOM 0 HG13 VAL A 129 17.868 -5.136 -5.793 1.00 0.15 H new ATOM 0 HG21 VAL A 129 19.845 -7.164 -7.016 1.00 44.12 H new ATOM 0 HG22 VAL A 129 20.013 -6.492 -5.377 1.00 44.12 H new ATOM 0 HG23 VAL A 129 19.962 -8.255 -5.615 1.00 44.12 H new ATOM 1951 N ASN A 130 15.654 -8.823 -4.328 1.00 32.01 N ATOM 1952 CA ASN A 130 14.220 -9.082 -4.257 1.00 54.04 C ATOM 1953 C ASN A 130 13.628 -8.509 -2.974 1.00 43.43 C ATOM 1954 O ASN A 130 12.601 -7.832 -2.999 1.00 3.54 O ATOM 1955 CB ASN A 130 13.949 -10.585 -4.331 1.00 4.34 C ATOM 1956 CG ASN A 130 12.649 -10.972 -3.649 1.00 63.44 C ATOM 1957 OD1 ASN A 130 11.585 -10.961 -4.266 1.00 25.44 O ATOM 1958 ND2 ASN A 130 12.733 -11.315 -2.369 1.00 62.33 N ATOM 0 H ASN A 130 16.229 -9.659 -4.431 1.00 32.01 H new ATOM 0 HA ASN A 130 13.744 -8.592 -5.106 1.00 54.04 H new ATOM 0 HB2 ASN A 130 13.914 -10.894 -5.376 1.00 4.34 H new ATOM 0 HB3 ASN A 130 14.775 -11.124 -3.866 1.00 4.34 H new ATOM 0 HD21 ASN A 130 11.893 -11.584 -1.857 1.00 62.33 H new ATOM 0 HD22 ASN A 130 13.638 -11.310 -1.898 1.00 62.33 H new ATOM 1964 N PHE A 131 14.283 -8.784 -1.851 1.00 62.44 N ATOM 1965 CA PHE A 131 13.823 -8.297 -0.556 1.00 5.21 C ATOM 1966 C PHE A 131 13.879 -6.773 -0.497 1.00 24.33 C ATOM 1967 O PHE A 131 12.875 -6.113 -0.223 1.00 61.45 O ATOM 1968 CB PHE A 131 14.670 -8.894 0.569 1.00 65.31 C ATOM 1969 CG PHE A 131 13.950 -8.971 1.885 1.00 74.03 C ATOM 1970 CD1 PHE A 131 13.213 -10.094 2.223 1.00 24.03 C ATOM 1971 CD2 PHE A 131 14.012 -7.920 2.786 1.00 60.12 C ATOM 1972 CE1 PHE A 131 12.549 -10.166 3.433 1.00 60.03 C ATOM 1973 CE2 PHE A 131 13.352 -7.987 3.998 1.00 12.31 C ATOM 1974 CZ PHE A 131 12.619 -9.112 4.322 1.00 64.23 C ATOM 0 H PHE A 131 15.136 -9.343 -1.812 1.00 62.44 H new ATOM 0 HA PHE A 131 12.787 -8.611 -0.426 1.00 5.21 H new ATOM 0 HB2 PHE A 131 14.990 -9.895 0.280 1.00 65.31 H new ATOM 0 HB3 PHE A 131 15.572 -8.294 0.692 1.00 65.31 H new ATOM 0 HD1 PHE A 131 13.157 -10.923 1.533 1.00 24.03 H new ATOM 0 HD2 PHE A 131 14.583 -7.038 2.538 1.00 60.12 H new ATOM 0 HE1 PHE A 131 11.976 -11.046 3.683 1.00 60.03 H new ATOM 0 HE2 PHE A 131 13.409 -7.161 4.691 1.00 12.31 H new ATOM 0 HZ PHE A 131 12.102 -9.167 5.269 1.00 64.23 H new ATOM 1983 N LEU A 132 15.059 -6.222 -0.755 1.00 53.41 N ATOM 1984 CA LEU A 132 15.248 -4.775 -0.731 1.00 41.14 C ATOM 1985 C LEU A 132 14.424 -4.099 -1.822 1.00 2.21 C ATOM 1986 O LEU A 132 14.046 -2.934 -1.697 1.00 73.51 O ATOM 1987 CB LEU A 132 16.729 -4.432 -0.909 1.00 42.54 C ATOM 1988 CG LEU A 132 17.588 -4.491 0.356 1.00 23.52 C ATOM 1989 CD1 LEU A 132 17.242 -5.723 1.178 1.00 12.34 C ATOM 1990 CD2 LEU A 132 19.067 -4.486 -0.004 1.00 42.40 C ATOM 0 H LEU A 132 15.899 -6.754 -0.983 1.00 53.41 H new ATOM 0 HA LEU A 132 14.908 -4.405 0.236 1.00 41.14 H new ATOM 0 HB2 LEU A 132 17.154 -5.115 -1.645 1.00 42.54 H new ATOM 0 HB3 LEU A 132 16.801 -3.428 -1.327 1.00 42.54 H new ATOM 0 HG LEU A 132 17.378 -3.607 0.958 1.00 23.52 H new ATOM 0 HD11 LEU A 132 17.862 -5.749 2.074 1.00 12.34 H new ATOM 0 HD12 LEU A 132 16.191 -5.685 1.465 1.00 12.34 H new ATOM 0 HD13 LEU A 132 17.424 -6.619 0.585 1.00 12.34 H new ATOM 0 HD21 LEU A 132 19.663 -4.528 0.907 1.00 42.40 H new ATOM 0 HD22 LEU A 132 19.293 -5.352 -0.626 1.00 42.40 H new ATOM 0 HD23 LEU A 132 19.305 -3.574 -0.551 1.00 42.40 H new ATOM 2001 N TYR A 133 14.146 -4.839 -2.890 1.00 73.04 N ATOM 2002 CA TYR A 133 13.366 -4.311 -4.003 1.00 64.23 C ATOM 2003 C TYR A 133 11.882 -4.259 -3.652 1.00 72.43 C ATOM 2004 O TYR A 133 11.176 -3.329 -4.037 1.00 13.14 O ATOM 2005 CB TYR A 133 13.576 -5.170 -5.252 1.00 41.35 C ATOM 2006 CG TYR A 133 12.615 -4.850 -6.375 1.00 71.14 C ATOM 2007 CD1 TYR A 133 11.392 -5.501 -6.476 1.00 70.15 C ATOM 2008 CD2 TYR A 133 12.931 -3.896 -7.334 1.00 51.12 C ATOM 2009 CE1 TYR A 133 10.512 -5.212 -7.500 1.00 32.22 C ATOM 2010 CE2 TYR A 133 12.057 -3.599 -8.362 1.00 24.03 C ATOM 2011 CZ TYR A 133 10.849 -4.261 -8.441 1.00 4.21 C ATOM 2012 OH TYR A 133 9.974 -3.969 -9.462 1.00 1.15 O ATOM 0 H TYR A 133 14.449 -5.806 -3.008 1.00 73.04 H new ATOM 0 HA TYR A 133 13.709 -3.296 -4.205 1.00 64.23 H new ATOM 0 HB2 TYR A 133 14.597 -5.034 -5.609 1.00 41.35 H new ATOM 0 HB3 TYR A 133 13.470 -6.221 -4.982 1.00 41.35 H new ATOM 0 HD1 TYR A 133 11.125 -6.246 -5.741 1.00 70.15 H new ATOM 0 HD2 TYR A 133 13.876 -3.377 -7.275 1.00 51.12 H new ATOM 0 HE1 TYR A 133 9.565 -5.728 -7.564 1.00 32.22 H new ATOM 0 HE2 TYR A 133 12.318 -2.854 -9.099 1.00 24.03 H new ATOM 0 HH TYR A 133 10.362 -3.277 -10.038 1.00 1.15 H new ATOM 2021 N ASN A 134 11.420 -5.264 -2.916 1.00 13.53 N ATOM 2022 CA ASN A 134 10.019 -5.333 -2.512 1.00 74.33 C ATOM 2023 C ASN A 134 9.731 -4.351 -1.382 1.00 43.44 C ATOM 2024 O ASN A 134 8.695 -3.683 -1.372 1.00 24.44 O ATOM 2025 CB ASN A 134 9.665 -6.754 -2.071 1.00 3.14 C ATOM 2026 CG ASN A 134 9.108 -7.591 -3.208 1.00 55.44 C ATOM 2027 OD1 ASN A 134 7.911 -7.554 -3.492 1.00 43.13 O ATOM 2028 ND2 ASN A 134 9.978 -8.350 -3.863 1.00 21.03 N ATOM 0 H ASN A 134 11.993 -6.041 -2.587 1.00 13.53 H new ATOM 0 HA ASN A 134 9.404 -5.062 -3.370 1.00 74.33 H new ATOM 0 HB2 ASN A 134 10.554 -7.239 -1.669 1.00 3.14 H new ATOM 0 HB3 ASN A 134 8.934 -6.709 -1.264 1.00 3.14 H new ATOM 0 HD21 ASN A 134 9.663 -8.935 -4.637 1.00 21.03 H new ATOM 0 HD22 ASN A 134 10.961 -8.348 -3.592 1.00 21.03 H new ATOM 2034 N LEU A 135 10.654 -4.266 -0.429 1.00 4.52 N ATOM 2035 CA LEU A 135 10.499 -3.364 0.707 1.00 62.42 C ATOM 2036 C LEU A 135 10.330 -1.922 0.240 1.00 22.34 C ATOM 2037 O LEU A 135 9.458 -1.199 0.723 1.00 61.22 O ATOM 2038 CB LEU A 135 11.709 -3.472 1.637 1.00 12.21 C ATOM 2039 CG LEU A 135 11.446 -4.081 3.015 1.00 14.54 C ATOM 2040 CD1 LEU A 135 12.728 -4.136 3.828 1.00 71.24 C ATOM 2041 CD2 LEU A 135 10.377 -3.286 3.753 1.00 63.10 C ATOM 0 H LEU A 135 11.517 -4.810 -0.421 1.00 4.52 H new ATOM 0 HA LEU A 135 9.601 -3.657 1.252 1.00 62.42 H new ATOM 0 HB2 LEU A 135 12.473 -4.069 1.138 1.00 12.21 H new ATOM 0 HB3 LEU A 135 12.125 -2.474 1.777 1.00 12.21 H new ATOM 0 HG LEU A 135 11.084 -5.100 2.878 1.00 14.54 H new ATOM 0 HD11 LEU A 135 12.521 -4.572 4.805 1.00 71.24 H new ATOM 0 HD12 LEU A 135 13.464 -4.748 3.306 1.00 71.24 H new ATOM 0 HD13 LEU A 135 13.121 -3.127 3.957 1.00 71.24 H new ATOM 0 HD21 LEU A 135 10.202 -3.733 4.732 1.00 63.10 H new ATOM 0 HD22 LEU A 135 10.711 -2.256 3.879 1.00 63.10 H new ATOM 0 HD23 LEU A 135 9.451 -3.299 3.177 1.00 63.10 H new ATOM 2052 N LEU A 136 11.166 -1.510 -0.707 1.00 65.54 N ATOM 2053 CA LEU A 136 11.108 -0.155 -1.243 1.00 64.14 C ATOM 2054 C LEU A 136 10.031 -0.040 -2.317 1.00 70.23 C ATOM 2055 O LEU A 136 9.528 1.049 -2.591 1.00 50.33 O ATOM 2056 CB LEU A 136 12.467 0.244 -1.822 1.00 31.31 C ATOM 2057 CG LEU A 136 12.821 -0.361 -3.181 1.00 23.35 C ATOM 2058 CD1 LEU A 136 12.054 0.338 -4.293 1.00 1.43 C ATOM 2059 CD2 LEU A 136 14.320 -0.275 -3.430 1.00 40.42 C ATOM 0 H LEU A 136 11.892 -2.095 -1.119 1.00 65.54 H new ATOM 0 HA LEU A 136 10.855 0.522 -0.427 1.00 64.14 H new ATOM 0 HB2 LEU A 136 12.497 1.330 -1.911 1.00 31.31 H new ATOM 0 HB3 LEU A 136 13.241 -0.039 -1.108 1.00 31.31 H new ATOM 0 HG LEU A 136 12.534 -1.412 -3.174 1.00 23.35 H new ATOM 0 HD11 LEU A 136 12.319 -0.106 -5.253 1.00 1.43 H new ATOM 0 HD12 LEU A 136 10.983 0.224 -4.124 1.00 1.43 H new ATOM 0 HD13 LEU A 136 12.309 1.398 -4.301 1.00 1.43 H new ATOM 0 HD21 LEU A 136 14.553 -0.710 -4.402 1.00 40.42 H new ATOM 0 HD22 LEU A 136 14.632 0.769 -3.416 1.00 40.42 H new ATOM 0 HD23 LEU A 136 14.850 -0.822 -2.651 1.00 40.42 H new ATOM 2070 N MET A 137 9.680 -1.171 -2.919 1.00 20.40 N ATOM 2071 CA MET A 137 8.660 -1.198 -3.960 1.00 30.23 C ATOM 2072 C MET A 137 7.304 -1.591 -3.383 1.00 11.43 C ATOM 2073 O MET A 137 6.437 -2.095 -4.096 1.00 50.32 O ATOM 2074 CB MET A 137 9.057 -2.174 -5.069 1.00 0.32 C ATOM 2075 CG MET A 137 8.217 -2.037 -6.328 1.00 34.33 C ATOM 2076 SD MET A 137 8.122 -0.336 -6.919 1.00 31.30 S ATOM 2077 CE MET A 137 9.795 0.223 -6.612 1.00 72.32 C ATOM 0 H MET A 137 10.087 -2.081 -2.704 1.00 20.40 H new ATOM 0 HA MET A 137 8.580 -0.195 -4.380 1.00 30.23 H new ATOM 0 HB2 MET A 137 10.105 -2.016 -5.323 1.00 0.32 H new ATOM 0 HB3 MET A 137 8.970 -3.193 -4.693 1.00 0.32 H new ATOM 0 HG2 MET A 137 8.639 -2.667 -7.112 1.00 34.33 H new ATOM 0 HG3 MET A 137 7.210 -2.405 -6.130 1.00 34.33 H new ATOM 0 HE1 MET A 137 10.103 0.902 -7.407 1.00 72.32 H new ATOM 0 HE2 MET A 137 9.835 0.743 -5.655 1.00 72.32 H new ATOM 0 HE3 MET A 137 10.467 -0.635 -6.588 1.00 72.32 H new ATOM 2085 N GLY A 138 7.128 -1.357 -2.086 1.00 4.33 N ATOM 2086 CA GLY A 138 5.874 -1.694 -1.435 1.00 34.10 C ATOM 2087 C GLY A 138 4.787 -0.674 -1.709 1.00 41.02 C ATOM 2088 O GLY A 138 5.074 0.476 -2.042 1.00 53.31 O ATOM 0 H GLY A 138 7.830 -0.941 -1.475 1.00 4.33 H new ATOM 0 HA2 GLY A 138 5.543 -2.674 -1.777 1.00 34.10 H new ATOM 0 HA3 GLY A 138 6.035 -1.769 -0.360 1.00 34.10 H new ATOM 2092 N ARG A 139 3.534 -1.096 -1.570 1.00 31.20 N ATOM 2093 CA ARG A 139 2.400 -0.211 -1.808 1.00 43.30 C ATOM 2094 C ARG A 139 2.557 1.095 -1.034 1.00 31.31 C ATOM 2095 O ARG A 139 2.503 2.180 -1.612 1.00 21.22 O ATOM 2096 CB ARG A 139 1.095 -0.901 -1.405 1.00 5.30 C ATOM 2097 CG ARG A 139 0.404 -1.617 -2.554 1.00 53.51 C ATOM 2098 CD ARG A 139 0.247 -0.707 -3.763 1.00 42.34 C ATOM 2099 NE ARG A 139 -0.953 -1.021 -4.532 1.00 24.12 N ATOM 2100 CZ ARG A 139 -1.572 -0.147 -5.318 1.00 62.02 C ATOM 2101 NH1 ARG A 139 -1.106 1.088 -5.437 1.00 25.51 N ATOM 2102 NH2 ARG A 139 -2.660 -0.509 -5.986 1.00 34.55 N ATOM 0 H ARG A 139 3.279 -2.044 -1.294 1.00 31.20 H new ATOM 0 HA ARG A 139 2.368 0.020 -2.873 1.00 43.30 H new ATOM 0 HB2 ARG A 139 1.304 -1.620 -0.613 1.00 5.30 H new ATOM 0 HB3 ARG A 139 0.414 -0.158 -0.989 1.00 5.30 H new ATOM 0 HG2 ARG A 139 0.980 -2.499 -2.833 1.00 53.51 H new ATOM 0 HG3 ARG A 139 -0.576 -1.966 -2.230 1.00 53.51 H new ATOM 0 HD2 ARG A 139 0.204 0.331 -3.432 1.00 42.34 H new ATOM 0 HD3 ARG A 139 1.123 -0.802 -4.404 1.00 42.34 H new ATOM 0 HE ARG A 139 -1.337 -1.963 -4.462 1.00 24.12 H new ATOM 0 HH11 ARG A 139 -0.270 1.369 -4.924 1.00 25.51 H new ATOM 0 HH12 ARG A 139 -1.583 1.757 -6.041 1.00 25.51 H new ATOM 0 HH21 ARG A 139 -3.021 -1.459 -5.896 1.00 34.55 H new ATOM 0 HH22 ARG A 139 -3.135 0.162 -6.589 1.00 34.55 H new ATOM 2113 N ARG A 140 2.751 0.981 0.275 1.00 1.31 N ATOM 2114 CA ARG A 140 2.913 2.153 1.128 1.00 62.43 C ATOM 2115 C ARG A 140 4.330 2.708 1.023 1.00 61.53 C ATOM 2116 O ARG A 140 4.527 3.919 0.909 1.00 21.41 O ATOM 2117 CB ARG A 140 2.599 1.798 2.582 1.00 50.44 C ATOM 2118 CG ARG A 140 2.839 0.336 2.919 1.00 62.03 C ATOM 2119 CD ARG A 140 2.707 0.078 4.412 1.00 20.13 C ATOM 2120 NE ARG A 140 1.399 -0.471 4.759 1.00 23.00 N ATOM 2121 CZ ARG A 140 0.844 -0.345 5.959 1.00 12.21 C ATOM 2122 NH1 ARG A 140 1.479 0.310 6.921 1.00 4.31 N ATOM 2123 NH2 ARG A 140 -0.350 -0.874 6.199 1.00 35.23 N ATOM 0 H ARG A 140 2.800 0.090 0.769 1.00 1.31 H new ATOM 0 HA ARG A 140 2.215 2.919 0.789 1.00 62.43 H new ATOM 0 HB2 ARG A 140 3.210 2.418 3.238 1.00 50.44 H new ATOM 0 HB3 ARG A 140 1.558 2.043 2.790 1.00 50.44 H new ATOM 0 HG2 ARG A 140 2.126 -0.285 2.377 1.00 62.03 H new ATOM 0 HG3 ARG A 140 3.834 0.043 2.585 1.00 62.03 H new ATOM 0 HD2 ARG A 140 3.487 -0.614 4.731 1.00 20.13 H new ATOM 0 HD3 ARG A 140 2.865 1.009 4.956 1.00 20.13 H new ATOM 0 HE ARG A 140 0.883 -0.979 4.040 1.00 23.00 H new ATOM 0 HH11 ARG A 140 2.396 0.719 6.740 1.00 4.31 H new ATOM 0 HH12 ARG A 140 1.051 0.405 7.842 1.00 4.31 H new ATOM 0 HH21 ARG A 140 -0.842 -1.378 5.461 1.00 35.23 H new ATOM 0 HH22 ARG A 140 -0.775 -0.776 7.121 1.00 35.23 H new ATOM 2134 N HIS A 141 5.315 1.816 1.065 1.00 32.45 N ATOM 2135 CA HIS A 141 6.715 2.217 0.974 1.00 13.12 C ATOM 2136 C HIS A 141 6.981 2.970 -0.327 1.00 62.11 C ATOM 2137 O HIS A 141 7.369 4.139 -0.310 1.00 22.00 O ATOM 2138 CB HIS A 141 7.625 0.992 1.063 1.00 34.31 C ATOM 2139 CG HIS A 141 7.416 0.180 2.304 1.00 30.30 C ATOM 2140 ND1 HIS A 141 7.212 -1.183 2.285 1.00 4.14 N ATOM 2141 CD2 HIS A 141 7.384 0.546 3.606 1.00 51.42 C ATOM 2142 CE1 HIS A 141 7.060 -1.620 3.523 1.00 24.50 C ATOM 2143 NE2 HIS A 141 7.161 -0.591 4.343 1.00 60.05 N ATOM 0 H HIS A 141 5.170 0.811 1.161 1.00 32.45 H new ATOM 0 HA HIS A 141 6.932 2.883 1.809 1.00 13.12 H new ATOM 0 HB2 HIS A 141 7.455 0.359 0.192 1.00 34.31 H new ATOM 0 HB3 HIS A 141 8.664 1.318 1.023 1.00 34.31 H new ATOM 0 HD1 HIS A 141 7.183 -1.763 1.447 1.00 4.14 H new ATOM 0 HD2 HIS A 141 7.510 1.546 3.994 1.00 51.42 H new ATOM 0 HE1 HIS A 141 6.883 -2.645 3.814 1.00 24.50 H new ATOM 2150 N ARG A 142 6.771 2.293 -1.451 1.00 21.10 N ATOM 2151 CA ARG A 142 6.990 2.897 -2.759 1.00 31.10 C ATOM 2152 C ARG A 142 6.282 4.245 -2.861 1.00 3.35 C ATOM 2153 O ARG A 142 6.891 5.254 -3.214 1.00 43.04 O ATOM 2154 CB ARG A 142 6.496 1.963 -3.865 1.00 53.12 C ATOM 2155 CG ARG A 142 7.245 2.126 -5.179 1.00 3.21 C ATOM 2156 CD ARG A 142 7.555 3.587 -5.466 1.00 23.15 C ATOM 2157 NE ARG A 142 8.515 3.738 -6.557 1.00 23.21 N ATOM 2158 CZ ARG A 142 9.828 3.615 -6.402 1.00 11.13 C ATOM 2159 NH1 ARG A 142 10.335 3.340 -5.208 1.00 21.21 N ATOM 2160 NH2 ARG A 142 10.637 3.767 -7.443 1.00 61.21 N ATOM 0 H ARG A 142 6.449 1.326 -1.482 1.00 21.10 H new ATOM 0 HA ARG A 142 8.061 3.059 -2.882 1.00 31.10 H new ATOM 0 HB2 ARG A 142 6.592 0.931 -3.527 1.00 53.12 H new ATOM 0 HB3 ARG A 142 5.435 2.145 -4.036 1.00 53.12 H new ATOM 0 HG2 ARG A 142 8.174 1.556 -5.143 1.00 3.21 H new ATOM 0 HG3 ARG A 142 6.649 1.713 -5.993 1.00 3.21 H new ATOM 0 HD2 ARG A 142 6.633 4.110 -5.719 1.00 23.15 H new ATOM 0 HD3 ARG A 142 7.952 4.057 -4.566 1.00 23.15 H new ATOM 0 HE ARG A 142 8.157 3.949 -7.488 1.00 23.21 H new ATOM 0 HH11 ARG A 142 9.716 3.222 -4.406 1.00 21.21 H new ATOM 0 HH12 ARG A 142 11.344 3.246 -5.092 1.00 21.21 H new ATOM 0 HH21 ARG A 142 10.250 3.978 -8.363 1.00 61.21 H new ATOM 0 HH22 ARG A 142 11.646 3.672 -7.323 1.00 61.21 H new ATOM 2171 N ALA A 143 4.989 4.252 -2.551 1.00 21.23 N ATOM 2172 CA ALA A 143 4.197 5.474 -2.607 1.00 12.44 C ATOM 2173 C ALA A 143 4.902 6.618 -1.888 1.00 52.44 C ATOM 2174 O ALA A 143 4.836 7.770 -2.318 1.00 5.11 O ATOM 2175 CB ALA A 143 2.819 5.238 -2.006 1.00 53.00 C ATOM 0 H ALA A 143 4.469 3.425 -2.259 1.00 21.23 H new ATOM 0 HA ALA A 143 4.081 5.755 -3.654 1.00 12.44 H new ATOM 0 HB1 ALA A 143 2.238 6.159 -2.054 1.00 53.00 H new ATOM 0 HB2 ALA A 143 2.307 4.456 -2.567 1.00 53.00 H new ATOM 0 HB3 ALA A 143 2.924 4.929 -0.966 1.00 53.00 H new ATOM 2181 N ARG A 144 5.576 6.294 -0.789 1.00 73.11 N ATOM 2182 CA ARG A 144 6.291 7.296 -0.008 1.00 62.44 C ATOM 2183 C ARG A 144 7.606 7.674 -0.684 1.00 71.35 C ATOM 2184 O ARG A 144 7.913 8.855 -0.852 1.00 33.21 O ATOM 2185 CB ARG A 144 6.563 6.775 1.404 1.00 65.23 C ATOM 2186 CG ARG A 144 6.597 7.866 2.461 1.00 65.12 C ATOM 2187 CD ARG A 144 5.210 8.429 2.724 1.00 14.00 C ATOM 2188 NE ARG A 144 5.206 9.382 3.832 1.00 72.30 N ATOM 2189 CZ ARG A 144 5.500 10.670 3.695 1.00 14.04 C ATOM 2190 NH1 ARG A 144 5.817 11.158 2.503 1.00 73.43 N ATOM 2191 NH2 ARG A 144 5.474 11.473 4.750 1.00 75.54 N ATOM 0 H ARG A 144 5.642 5.346 -0.420 1.00 73.11 H new ATOM 0 HA ARG A 144 5.665 8.186 0.055 1.00 62.44 H new ATOM 0 HB2 ARG A 144 5.794 6.049 1.668 1.00 65.23 H new ATOM 0 HB3 ARG A 144 7.516 6.246 1.409 1.00 65.23 H new ATOM 0 HG2 ARG A 144 7.010 7.465 3.387 1.00 65.12 H new ATOM 0 HG3 ARG A 144 7.261 8.667 2.137 1.00 65.12 H new ATOM 0 HD2 ARG A 144 4.841 8.919 1.823 1.00 14.00 H new ATOM 0 HD3 ARG A 144 4.523 7.612 2.946 1.00 14.00 H new ATOM 0 HE ARG A 144 4.964 9.039 4.762 1.00 72.30 H new ATOM 0 HH11 ARG A 144 5.835 10.544 1.689 1.00 73.43 H new ATOM 0 HH12 ARG A 144 6.042 12.148 2.401 1.00 73.43 H new ATOM 0 HH21 ARG A 144 5.228 11.102 5.668 1.00 75.54 H new ATOM 0 HH22 ARG A 144 5.700 12.462 4.644 1.00 75.54 H new ATOM 2202 N LEU A 145 8.380 6.666 -1.068 1.00 25.21 N ATOM 2203 CA LEU A 145 9.663 6.891 -1.725 1.00 73.03 C ATOM 2204 C LEU A 145 9.528 7.918 -2.844 1.00 50.42 C ATOM 2205 O LEU A 145 10.370 8.803 -2.992 1.00 20.12 O ATOM 2206 CB LEU A 145 10.209 5.577 -2.286 1.00 72.35 C ATOM 2207 CG LEU A 145 11.154 5.700 -3.483 1.00 44.44 C ATOM 2208 CD1 LEU A 145 10.371 5.999 -4.751 1.00 12.15 C ATOM 2209 CD2 LEU A 145 12.197 6.778 -3.230 1.00 32.31 C ATOM 0 H LEU A 145 8.142 5.683 -0.936 1.00 25.21 H new ATOM 0 HA LEU A 145 10.361 7.279 -0.983 1.00 73.03 H new ATOM 0 HB2 LEU A 145 10.734 5.054 -1.487 1.00 72.35 H new ATOM 0 HB3 LEU A 145 9.366 4.951 -2.577 1.00 72.35 H new ATOM 0 HG LEU A 145 11.670 4.749 -3.615 1.00 44.44 H new ATOM 0 HD11 LEU A 145 11.059 6.083 -5.592 1.00 12.15 H new ATOM 0 HD12 LEU A 145 9.663 5.192 -4.940 1.00 12.15 H new ATOM 0 HD13 LEU A 145 9.828 6.937 -4.631 1.00 12.15 H new ATOM 0 HD21 LEU A 145 12.861 6.852 -4.092 1.00 32.31 H new ATOM 0 HD22 LEU A 145 11.700 7.735 -3.072 1.00 32.31 H new ATOM 0 HD23 LEU A 145 12.779 6.521 -2.345 1.00 32.31 H new ATOM 2220 N GLU A 146 8.461 7.795 -3.629 1.00 65.04 N ATOM 2221 CA GLU A 146 8.216 8.714 -4.733 1.00 2.11 C ATOM 2222 C GLU A 146 7.566 10.002 -4.236 1.00 43.11 C ATOM 2223 O GLU A 146 7.762 11.071 -4.812 1.00 32.04 O ATOM 2224 CB GLU A 146 7.324 8.054 -5.787 1.00 23.11 C ATOM 2225 CG GLU A 146 6.220 7.193 -5.196 1.00 63.14 C ATOM 2226 CD GLU A 146 4.890 7.388 -5.896 1.00 34.14 C ATOM 2227 OE1 GLU A 146 4.755 6.938 -7.054 1.00 70.34 O ATOM 2228 OE2 GLU A 146 3.982 7.993 -5.288 1.00 62.22 O ATOM 0 H GLU A 146 7.754 7.068 -3.520 1.00 65.04 H new ATOM 0 HA GLU A 146 9.177 8.963 -5.184 1.00 2.11 H new ATOM 0 HB2 GLU A 146 6.876 8.829 -6.409 1.00 23.11 H new ATOM 0 HB3 GLU A 146 7.942 7.439 -6.441 1.00 23.11 H new ATOM 0 HG2 GLU A 146 6.509 6.144 -5.259 1.00 63.14 H new ATOM 0 HG3 GLU A 146 6.107 7.429 -4.138 1.00 63.14 H new ATOM 2233 N ALA A 147 6.791 9.890 -3.162 1.00 73.44 N ATOM 2234 CA ALA A 147 6.113 11.044 -2.585 1.00 71.43 C ATOM 2235 C ALA A 147 7.116 12.102 -2.135 1.00 24.53 C ATOM 2236 O ALA A 147 6.752 13.252 -1.885 1.00 24.04 O ATOM 2237 CB ALA A 147 5.238 10.614 -1.418 1.00 70.02 C ATOM 0 H ALA A 147 6.617 9.011 -2.674 1.00 73.44 H new ATOM 0 HA ALA A 147 5.480 11.485 -3.356 1.00 71.43 H new ATOM 0 HB1 ALA A 147 4.738 11.486 -0.997 1.00 70.02 H new ATOM 0 HB2 ALA A 147 4.491 9.901 -1.767 1.00 70.02 H new ATOM 0 HB3 ALA A 147 5.857 10.146 -0.652 1.00 70.02 H new ATOM 2243 N LEU A 148 8.380 11.706 -2.033 1.00 41.15 N ATOM 2244 CA LEU A 148 9.436 12.620 -1.612 1.00 64.31 C ATOM 2245 C LEU A 148 10.367 12.949 -2.775 1.00 64.13 C ATOM 2246 O LEU A 148 11.536 13.275 -2.575 1.00 64.24 O ATOM 2247 CB LEU A 148 10.237 12.009 -0.461 1.00 42.55 C ATOM 2248 CG LEU A 148 10.542 10.515 -0.574 1.00 74.34 C ATOM 2249 CD1 LEU A 148 11.983 10.296 -1.011 1.00 4.30 C ATOM 2250 CD2 LEU A 148 10.273 9.814 0.750 1.00 31.25 C ATOM 0 H LEU A 148 8.698 10.758 -2.236 1.00 41.15 H new ATOM 0 HA LEU A 148 8.969 13.544 -1.272 1.00 64.31 H new ATOM 0 HB2 LEU A 148 11.181 12.547 -0.376 1.00 42.55 H new ATOM 0 HB3 LEU A 148 9.690 12.178 0.466 1.00 42.55 H new ATOM 0 HG LEU A 148 9.885 10.086 -1.330 1.00 74.34 H new ATOM 0 HD11 LEU A 148 12.182 9.227 -1.086 1.00 4.30 H new ATOM 0 HD12 LEU A 148 12.144 10.764 -1.982 1.00 4.30 H new ATOM 0 HD13 LEU A 148 12.657 10.740 -0.278 1.00 4.30 H new ATOM 0 HD21 LEU A 148 10.495 8.752 0.651 1.00 31.25 H new ATOM 0 HD22 LEU A 148 10.905 10.246 1.526 1.00 31.25 H new ATOM 0 HD23 LEU A 148 9.225 9.941 1.023 1.00 31.25 H new ATOM 2261 N GLY A 149 9.838 12.864 -3.992 1.00 74.03 N ATOM 2262 CA GLY A 149 10.634 13.159 -5.169 1.00 44.30 C ATOM 2263 C GLY A 149 11.221 11.911 -5.799 1.00 25.21 C ATOM 2264 O GLY A 149 11.938 11.988 -6.795 1.00 1.13 O ATOM 0 H GLY A 149 8.873 12.596 -4.184 1.00 74.03 H new ATOM 0 HA2 GLY A 149 10.015 13.676 -5.902 1.00 44.30 H new ATOM 0 HA3 GLY A 149 11.441 13.839 -4.897 1.00 44.30 H new ATOM 2268 N GLY A 150 10.917 10.756 -5.214 1.00 21.13 N ATOM 2269 CA GLY A 150 11.430 9.502 -5.737 1.00 34.13 C ATOM 2270 C GLY A 150 12.919 9.556 -6.013 1.00 22.32 C ATOM 2271 O GLY A 150 13.590 10.523 -5.654 1.00 30.14 O ATOM 0 H GLY A 150 10.325 10.666 -4.388 1.00 21.13 H new ATOM 0 HA2 GLY A 150 11.224 8.703 -5.024 1.00 34.13 H new ATOM 0 HA3 GLY A 150 10.902 9.252 -6.657 1.00 34.13 H new ATOM 2275 N TRP A 151 13.438 8.513 -6.652 1.00 43.12 N ATOM 2276 CA TRP A 151 14.859 8.444 -6.974 1.00 25.13 C ATOM 2277 C TRP A 151 15.393 9.815 -7.375 1.00 60.13 C ATOM 2278 O TRP A 151 16.549 10.142 -7.108 1.00 42.14 O ATOM 2279 CB TRP A 151 15.098 7.440 -8.103 1.00 20.31 C ATOM 2280 CG TRP A 151 14.662 6.048 -7.762 1.00 64.55 C ATOM 2281 CD1 TRP A 151 13.848 5.238 -8.502 1.00 15.51 C ATOM 2282 CD2 TRP A 151 15.016 5.301 -6.593 1.00 25.20 C ATOM 2283 NE1 TRP A 151 13.674 4.035 -7.864 1.00 43.35 N ATOM 2284 CE2 TRP A 151 14.381 4.047 -6.690 1.00 32.02 C ATOM 2285 CE3 TRP A 151 15.810 5.568 -5.473 1.00 1.13 C ATOM 2286 CZ2 TRP A 151 14.516 3.066 -5.711 1.00 54.51 C ATOM 2287 CZ3 TRP A 151 15.941 4.595 -4.502 1.00 21.42 C ATOM 2288 CH2 TRP A 151 15.298 3.355 -4.626 1.00 14.34 C ATOM 0 H TRP A 151 12.896 7.704 -6.957 1.00 43.12 H new ATOM 0 HA TRP A 151 15.393 8.113 -6.083 1.00 25.13 H new ATOM 0 HB2 TRP A 151 14.565 7.772 -8.994 1.00 20.31 H new ATOM 0 HB3 TRP A 151 16.159 7.430 -8.352 1.00 20.31 H new ATOM 0 HD1 TRP A 151 13.406 5.505 -9.450 1.00 15.51 H new ATOM 0 HE1 TRP A 151 13.110 3.258 -8.208 1.00 43.35 H new ATOM 0 HE3 TRP A 151 16.312 6.519 -5.369 1.00 1.13 H new ATOM 0 HZ2 TRP A 151 14.021 2.111 -5.805 1.00 54.51 H new ATOM 0 HZ3 TRP A 151 16.549 4.792 -3.632 1.00 21.42 H new ATOM 0 HH2 TRP A 151 15.422 2.614 -3.850 1.00 14.34 H new ATOM 2298 N ASP A 152 14.545 10.612 -8.015 1.00 63.22 N ATOM 2299 CA ASP A 152 14.932 11.948 -8.450 1.00 72.10 C ATOM 2300 C ASP A 152 15.295 12.826 -7.256 1.00 63.41 C ATOM 2301 O ASP A 152 16.324 13.499 -7.258 1.00 44.34 O ATOM 2302 CB ASP A 152 13.800 12.596 -9.249 1.00 71.41 C ATOM 2303 CG ASP A 152 14.290 13.722 -10.139 1.00 70.11 C ATOM 2304 OD1 ASP A 152 14.466 14.848 -9.628 1.00 5.41 O ATOM 2305 OD2 ASP A 152 14.497 13.477 -11.346 1.00 11.12 O ATOM 0 H ASP A 152 13.585 10.356 -8.244 1.00 63.22 H new ATOM 0 HA ASP A 152 15.810 11.854 -9.089 1.00 72.10 H new ATOM 0 HB2 ASP A 152 13.312 11.838 -9.862 1.00 71.41 H new ATOM 0 HB3 ASP A 152 13.048 12.982 -8.561 1.00 71.41 H new ATOM 2309 N GLY A 153 14.440 12.812 -6.237 1.00 31.42 N ATOM 2310 CA GLY A 153 14.688 13.611 -5.052 1.00 43.24 C ATOM 2311 C GLY A 153 15.962 13.209 -4.337 1.00 51.10 C ATOM 2312 O GLY A 153 16.624 14.041 -3.716 1.00 21.41 O ATOM 0 H GLY A 153 13.581 12.262 -6.212 1.00 31.42 H new ATOM 0 HA2 GLY A 153 14.749 14.662 -5.333 1.00 43.24 H new ATOM 0 HA3 GLY A 153 13.845 13.512 -4.368 1.00 43.24 H new ATOM 2316 N PHE A 154 16.307 11.928 -4.421 1.00 14.03 N ATOM 2317 CA PHE A 154 17.510 11.416 -3.775 1.00 20.01 C ATOM 2318 C PHE A 154 18.765 11.982 -4.434 1.00 45.50 C ATOM 2319 O PHE A 154 19.634 12.538 -3.762 1.00 1.41 O ATOM 2320 CB PHE A 154 17.535 9.887 -3.835 1.00 53.31 C ATOM 2321 CG PHE A 154 18.916 9.306 -3.740 1.00 33.50 C ATOM 2322 CD1 PHE A 154 19.739 9.610 -2.668 1.00 5.24 C ATOM 2323 CD2 PHE A 154 19.394 8.456 -4.726 1.00 23.34 C ATOM 2324 CE1 PHE A 154 21.011 9.077 -2.578 1.00 3.45 C ATOM 2325 CE2 PHE A 154 20.664 7.920 -4.641 1.00 24.12 C ATOM 2326 CZ PHE A 154 21.474 8.231 -3.567 1.00 75.13 C ATOM 0 H PHE A 154 15.770 11.226 -4.930 1.00 14.03 H new ATOM 0 HA PHE A 154 17.494 11.732 -2.732 1.00 20.01 H new ATOM 0 HB2 PHE A 154 16.926 9.490 -3.023 1.00 53.31 H new ATOM 0 HB3 PHE A 154 17.075 9.560 -4.768 1.00 53.31 H new ATOM 0 HD1 PHE A 154 19.382 10.272 -1.893 1.00 5.24 H new ATOM 0 HD2 PHE A 154 18.766 8.210 -5.570 1.00 23.34 H new ATOM 0 HE1 PHE A 154 21.642 9.321 -1.736 1.00 3.45 H new ATOM 0 HE2 PHE A 154 21.024 7.258 -5.415 1.00 24.12 H new ATOM 0 HZ PHE A 154 22.468 7.814 -3.500 1.00 75.13 H new ATOM 2335 N CYS A 155 18.851 11.836 -5.751 1.00 15.43 N ATOM 2336 CA CYS A 155 19.999 12.331 -6.502 1.00 13.22 C ATOM 2337 C CYS A 155 20.272 13.796 -6.174 1.00 31.25 C ATOM 2338 O CYS A 155 21.424 14.215 -6.067 1.00 11.10 O ATOM 2339 CB CYS A 155 19.763 12.167 -8.004 1.00 3.34 C ATOM 2340 SG CYS A 155 18.783 13.493 -8.746 1.00 74.53 S ATOM 0 H CYS A 155 18.139 11.379 -6.321 1.00 15.43 H new ATOM 0 HA CYS A 155 20.871 11.744 -6.214 1.00 13.22 H new ATOM 0 HB2 CYS A 155 20.728 12.116 -8.509 1.00 3.34 H new ATOM 0 HB3 CYS A 155 19.260 11.216 -8.180 1.00 3.34 H new ATOM 0 HG CYS A 155 17.746 13.735 -8.001 1.00 74.53 H new ATOM 2345 N ARG A 156 19.202 14.571 -6.020 1.00 74.22 N ATOM 2346 CA ARG A 156 19.327 15.990 -5.709 1.00 40.31 C ATOM 2347 C ARG A 156 19.620 16.198 -4.226 1.00 64.33 C ATOM 2348 O ARG A 156 20.230 17.194 -3.837 1.00 63.00 O ATOM 2349 CB ARG A 156 18.046 16.732 -6.094 1.00 34.31 C ATOM 2350 CG ARG A 156 17.652 17.821 -5.109 1.00 22.43 C ATOM 2351 CD ARG A 156 17.127 17.231 -3.809 1.00 53.21 C ATOM 2352 NE ARG A 156 15.972 17.968 -3.302 1.00 64.41 N ATOM 2353 CZ ARG A 156 15.392 17.710 -2.135 1.00 12.00 C ATOM 2354 NH1 ARG A 156 15.856 16.740 -1.359 1.00 1.21 N ATOM 2355 NH2 ARG A 156 14.344 18.424 -1.742 1.00 22.41 N ATOM 0 H ARG A 156 18.241 14.240 -6.105 1.00 74.22 H new ATOM 0 HA ARG A 156 20.160 16.391 -6.286 1.00 40.31 H new ATOM 0 HB2 ARG A 156 18.177 17.177 -7.081 1.00 34.31 H new ATOM 0 HB3 ARG A 156 17.230 16.014 -6.173 1.00 34.31 H new ATOM 0 HG2 ARG A 156 18.514 18.454 -4.901 1.00 22.43 H new ATOM 0 HG3 ARG A 156 16.889 18.458 -5.555 1.00 22.43 H new ATOM 0 HD2 ARG A 156 16.851 16.189 -3.969 1.00 53.21 H new ATOM 0 HD3 ARG A 156 17.920 17.239 -3.061 1.00 53.21 H new ATOM 0 HE ARG A 156 15.590 18.721 -3.875 1.00 64.41 H new ATOM 0 HH11 ARG A 156 16.661 16.189 -1.657 1.00 1.21 H new ATOM 0 HH12 ARG A 156 15.408 16.545 -0.464 1.00 1.21 H new ATOM 0 HH21 ARG A 156 13.984 19.171 -2.336 1.00 22.41 H new ATOM 0 HH22 ARG A 156 13.899 18.226 -0.846 1.00 22.41 H new ATOM 2366 N PHE A 157 19.182 15.251 -3.403 1.00 71.03 N ATOM 2367 CA PHE A 157 19.397 15.331 -1.963 1.00 24.04 C ATOM 2368 C PHE A 157 20.873 15.158 -1.622 1.00 70.32 C ATOM 2369 O PHE A 157 21.423 15.892 -0.801 1.00 54.41 O ATOM 2370 CB PHE A 157 18.567 14.264 -1.243 1.00 71.43 C ATOM 2371 CG PHE A 157 18.750 14.269 0.248 1.00 12.02 C ATOM 2372 CD1 PHE A 157 19.283 15.375 0.890 1.00 43.02 C ATOM 2373 CD2 PHE A 157 18.388 13.168 1.007 1.00 3.41 C ATOM 2374 CE1 PHE A 157 19.452 15.383 2.263 1.00 31.21 C ATOM 2375 CE2 PHE A 157 18.554 13.170 2.380 1.00 13.14 C ATOM 2376 CZ PHE A 157 19.087 14.279 3.007 1.00 65.03 C ATOM 0 H PHE A 157 18.676 14.420 -3.709 1.00 71.03 H new ATOM 0 HA PHE A 157 19.079 16.318 -1.628 1.00 24.04 H new ATOM 0 HB2 PHE A 157 17.513 14.419 -1.472 1.00 71.43 H new ATOM 0 HB3 PHE A 157 18.837 13.282 -1.631 1.00 71.43 H new ATOM 0 HD1 PHE A 157 19.570 16.241 0.312 1.00 43.02 H new ATOM 0 HD2 PHE A 157 17.971 12.298 0.521 1.00 3.41 H new ATOM 0 HE1 PHE A 157 19.869 16.251 2.752 1.00 31.21 H new ATOM 0 HE2 PHE A 157 18.267 12.306 2.961 1.00 13.14 H new ATOM 0 HZ PHE A 157 19.218 14.283 4.079 1.00 65.03 H new ATOM 2385 N PHE A 158 21.511 14.182 -2.258 1.00 35.44 N ATOM 2386 CA PHE A 158 22.925 13.911 -2.023 1.00 30.31 C ATOM 2387 C PHE A 158 23.793 14.605 -3.069 1.00 21.41 C ATOM 2388 O PHE A 158 25.017 14.469 -3.066 1.00 2.22 O ATOM 2389 CB PHE A 158 23.188 12.403 -2.044 1.00 10.42 C ATOM 2390 CG PHE A 158 22.562 11.670 -0.892 1.00 33.11 C ATOM 2391 CD1 PHE A 158 21.192 11.716 -0.687 1.00 23.43 C ATOM 2392 CD2 PHE A 158 23.343 10.935 -0.015 1.00 0.05 C ATOM 2393 CE1 PHE A 158 20.614 11.042 0.373 1.00 13.04 C ATOM 2394 CE2 PHE A 158 22.770 10.260 1.046 1.00 63.35 C ATOM 2395 CZ PHE A 158 21.404 10.312 1.239 1.00 53.32 C ATOM 0 H PHE A 158 21.071 13.565 -2.941 1.00 35.44 H new ATOM 0 HA PHE A 158 23.186 14.304 -1.041 1.00 30.31 H new ATOM 0 HB2 PHE A 158 22.808 11.989 -2.978 1.00 10.42 H new ATOM 0 HB3 PHE A 158 24.264 12.230 -2.033 1.00 10.42 H new ATOM 0 HD1 PHE A 158 20.569 12.284 -1.362 1.00 23.43 H new ATOM 0 HD2 PHE A 158 24.412 10.889 -0.162 1.00 0.05 H new ATOM 0 HE1 PHE A 158 19.545 11.086 0.524 1.00 13.04 H new ATOM 0 HE2 PHE A 158 23.390 9.692 1.724 1.00 63.35 H new ATOM 0 HZ PHE A 158 20.954 9.783 2.066 1.00 53.32 H new ATOM 2404 N LYS A 159 23.151 15.347 -3.964 1.00 35.03 N ATOM 2405 CA LYS A 159 23.862 16.063 -5.016 1.00 33.32 C ATOM 2406 C LYS A 159 24.981 15.204 -5.599 1.00 2.32 C ATOM 2407 O LYS A 159 26.140 15.334 -5.212 1.00 73.55 O ATOM 2408 CB LYS A 159 24.441 17.370 -4.471 1.00 14.14 C ATOM 2409 CG LYS A 159 23.876 18.612 -5.141 1.00 32.53 C ATOM 2410 CD LYS A 159 22.702 19.181 -4.362 1.00 72.30 C ATOM 2411 CE LYS A 159 23.171 19.987 -3.159 1.00 74.32 C ATOM 2412 NZ LYS A 159 22.028 20.488 -2.348 1.00 45.10 N ATOM 0 H LYS A 159 22.138 15.468 -3.982 1.00 35.03 H new ATOM 0 HA LYS A 159 23.151 16.291 -5.810 1.00 33.32 H new ATOM 0 HB2 LYS A 159 24.247 17.425 -3.400 1.00 14.14 H new ATOM 0 HB3 LYS A 159 25.523 17.359 -4.598 1.00 14.14 H new ATOM 0 HG2 LYS A 159 24.657 19.367 -5.227 1.00 32.53 H new ATOM 0 HG3 LYS A 159 23.557 18.367 -6.154 1.00 32.53 H new ATOM 0 HD2 LYS A 159 22.103 19.815 -5.016 1.00 72.30 H new ATOM 0 HD3 LYS A 159 22.057 18.368 -4.028 1.00 72.30 H new ATOM 0 HE2 LYS A 159 23.815 19.367 -2.535 1.00 74.32 H new ATOM 0 HE3 LYS A 159 23.772 20.830 -3.499 1.00 74.32 H new ATOM 0 HZ1 LYS A 159 22.389 21.032 -1.538 1.00 45.10 H new ATOM 0 HZ2 LYS A 159 21.427 21.100 -2.936 1.00 45.10 H new ATOM 0 HZ3 LYS A 159 21.468 19.683 -2.002 1.00 45.10 H new ATOM 2422 N ASN A 160 24.623 14.328 -6.532 1.00 21.25 N ATOM 2423 CA ASN A 160 25.597 13.449 -7.168 1.00 61.41 C ATOM 2424 C ASN A 160 26.820 14.235 -7.631 1.00 12.14 C ATOM 2425 O ASN A 160 26.818 15.466 -7.669 1.00 75.14 O ATOM 2426 CB ASN A 160 24.962 12.726 -8.357 1.00 22.41 C ATOM 2427 CG ASN A 160 25.535 13.183 -9.685 1.00 60.11 C ATOM 2428 OD1 ASN A 160 25.535 14.374 -9.997 1.00 21.31 O ATOM 2429 ND2 ASN A 160 26.027 12.236 -10.475 1.00 5.22 N ATOM 0 H ASN A 160 23.666 14.208 -6.864 1.00 21.25 H new ATOM 0 HA ASN A 160 25.919 12.712 -6.432 1.00 61.41 H new ATOM 0 HB2 ASN A 160 25.114 11.652 -8.249 1.00 22.41 H new ATOM 0 HB3 ASN A 160 23.886 12.898 -8.350 1.00 22.41 H new ATOM 0 HD21 ASN A 160 26.426 12.484 -11.381 1.00 5.22 H new ATOM 0 HD22 ASN A 160 26.006 11.261 -10.176 1.00 5.22 H new