USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 713 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 88 THR OG1 : rot -179:sc= -1.71 USER MOD Set 1.2: A 91 GLN : amide:sc= -0.39 X(o=-2.1,f=-1.7) USER MOD Set 2.1: A 81 ASN : amide:sc= -0.0187 K(o=-3.8,f=-4.6) USER MOD Set 2.2: A 84 CYS SG : rot 180:sc= -3.73! USER MOD Set 3.1: A 65 SER OG : rot 150:sc= 0 USER MOD Set 3.2: A 69 ASN :FLIP amide:sc= -0.0174 F(o=-0.87,f=-0.16) USER MOD Set 3.3: A 100 MET CE :methyl -159:sc= -0.14 (180deg=-0.76) USER MOD Set 4.1: A 57 MET CE :methyl 180:sc= -0.102 (180deg=0) USER MOD Set 4.2: A 61 ASN : amide:sc= 1.18 K(o=1.1,f=-0.19) USER MOD Set 5.1: A 30 HIS : no HD1:sc= -0.0276 K(o=-0.24,f=-1.5) USER MOD Set 5.2: A 37 CYS SG : rot 180:sc= -0.214 USER MOD Set 6.1: A 21 THR OG1 : rot 67:sc= 2.17 USER MOD Set 6.2: A 41 SER OG : rot -174:sc= 1.18 USER MOD Set 7.1: A 16 CYS SG : rot 60:sc= 1.7 USER MOD Set 7.2: A 59 TYR OH : rot -164:sc= 0.823 USER MOD Single : A 14 ASN : amide:sc= 0.696 K(o=0.7,f=-2.9!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl -126:sc= -1.51 (180deg=-1.81!) USER MOD Single : A 25 GLN :FLIP amide:sc= -0.282 F(o=-2.4!,f=-0.28) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=-0.0068) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 47 CYS SG : rot 176:sc= -0.665 USER MOD Single : A 54 ASN : amide:sc= -0.844 K(o=-0.84,f=-2.9!) USER MOD Single : A 55 THR OG1 : rot -9:sc= 0.678 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 167:sc= -0.0179 (180deg=-0.204) USER MOD Single : A 68 SER OG : rot -22:sc= 0.316 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -0.329 K(o=-0.33,f=-2.6) USER MOD Single : A 90 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 95 MET CE :methyl -176:sc= -0.253 (180deg=-0.278) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 146 N ALA A 11 -8.099 17.213 -6.195 1.00 35.12 N ATOM 147 CA ALA A 11 -8.068 16.121 -7.199 1.00 14.31 C ATOM 148 C ALA A 11 -6.715 15.358 -7.195 1.00 63.21 C ATOM 149 O ALA A 11 -6.627 14.249 -7.734 1.00 40.43 O ATOM 150 CB ALA A 11 -8.377 16.674 -8.596 1.00 32.35 C ATOM 0 HA ALA A 11 -8.839 15.401 -6.924 1.00 14.31 H new ATOM 0 HB1 ALA A 11 -8.351 15.862 -9.323 1.00 32.35 H new ATOM 0 HB2 ALA A 11 -9.367 17.129 -8.596 1.00 32.35 H new ATOM 0 HB3 ALA A 11 -7.633 17.424 -8.863 1.00 32.35 H new ATOM 156 N VAL A 12 -5.677 15.973 -6.583 1.00 50.32 N ATOM 157 CA VAL A 12 -4.339 15.350 -6.413 1.00 72.42 C ATOM 158 C VAL A 12 -4.431 14.058 -5.567 1.00 0.11 C ATOM 159 O VAL A 12 -4.103 12.965 -6.043 1.00 31.20 O ATOM 160 CB VAL A 12 -3.317 16.343 -5.735 1.00 14.03 C ATOM 161 CG1 VAL A 12 -1.889 15.740 -5.685 1.00 71.52 C ATOM 162 CG2 VAL A 12 -3.325 17.719 -6.440 1.00 73.03 C ATOM 0 H VAL A 12 -5.741 16.913 -6.193 1.00 50.32 H new ATOM 0 HA VAL A 12 -3.977 15.103 -7.411 1.00 72.42 H new ATOM 0 HB VAL A 12 -3.640 16.498 -4.706 1.00 14.03 H new ATOM 0 HG11 VAL A 12 -1.211 16.450 -5.212 1.00 71.52 H new ATOM 0 HG12 VAL A 12 -1.905 14.815 -5.109 1.00 71.52 H new ATOM 0 HG13 VAL A 12 -1.547 15.531 -6.699 1.00 71.52 H new ATOM 0 HG21 VAL A 12 -2.611 18.382 -5.951 1.00 73.03 H new ATOM 0 HG22 VAL A 12 -3.046 17.593 -7.486 1.00 73.03 H new ATOM 0 HG23 VAL A 12 -4.323 18.153 -6.380 1.00 73.03 H new ATOM 172 N ARG A 13 -4.904 14.204 -4.310 1.00 53.31 N ATOM 173 CA ARG A 13 -5.106 13.060 -3.390 1.00 73.21 C ATOM 174 C ARG A 13 -6.282 12.166 -3.859 1.00 63.34 C ATOM 175 O ARG A 13 -6.244 10.961 -3.674 1.00 13.53 O ATOM 176 CB ARG A 13 -5.317 13.541 -1.916 1.00 43.24 C ATOM 177 CG ARG A 13 -4.027 13.747 -1.074 1.00 25.14 C ATOM 178 CD ARG A 13 -3.045 14.780 -1.660 1.00 64.13 C ATOM 179 NE ARG A 13 -3.686 16.094 -1.883 1.00 72.34 N ATOM 180 CZ ARG A 13 -3.297 17.257 -1.396 1.00 30.22 C ATOM 181 NH1 ARG A 13 -2.273 17.366 -0.613 1.00 44.21 N ATOM 182 NH2 ARG A 13 -3.976 18.316 -1.683 1.00 23.30 N ATOM 0 H ARG A 13 -5.154 15.107 -3.907 1.00 53.31 H new ATOM 0 HA ARG A 13 -4.198 12.457 -3.412 1.00 73.21 H new ATOM 0 HB2 ARG A 13 -5.867 14.482 -1.937 1.00 43.24 H new ATOM 0 HB3 ARG A 13 -5.948 12.814 -1.405 1.00 43.24 H new ATOM 0 HG2 ARG A 13 -4.309 14.061 -0.069 1.00 25.14 H new ATOM 0 HG3 ARG A 13 -3.514 12.790 -0.977 1.00 25.14 H new ATOM 0 HD2 ARG A 13 -2.199 14.900 -0.983 1.00 64.13 H new ATOM 0 HD3 ARG A 13 -2.647 14.407 -2.604 1.00 64.13 H new ATOM 0 HE ARG A 13 -4.516 16.102 -2.476 1.00 72.34 H new ATOM 0 HH11 ARG A 13 -1.738 16.537 -0.354 1.00 44.21 H new ATOM 0 HH12 ARG A 13 -2.000 18.281 -0.255 1.00 44.21 H new ATOM 0 HH21 ARG A 13 -4.801 18.247 -2.279 1.00 23.30 H new ATOM 0 HH22 ARG A 13 -3.688 19.222 -1.314 1.00 23.30 H new ATOM 196 N ASN A 14 -7.306 12.765 -4.499 1.00 0.44 N ATOM 197 CA ASN A 14 -8.447 11.997 -5.073 1.00 55.24 C ATOM 198 C ASN A 14 -7.946 10.977 -6.126 1.00 40.33 C ATOM 199 O ASN A 14 -8.506 9.894 -6.266 1.00 24.03 O ATOM 200 CB ASN A 14 -9.488 12.986 -5.673 1.00 65.44 C ATOM 201 CG ASN A 14 -10.897 12.408 -5.878 1.00 72.53 C ATOM 202 OD1 ASN A 14 -11.094 11.215 -6.073 1.00 51.44 O ATOM 203 ND2 ASN A 14 -11.897 13.263 -5.849 1.00 32.44 N ATOM 0 H ASN A 14 -7.373 13.774 -4.635 1.00 0.44 H new ATOM 0 HA ASN A 14 -8.935 11.425 -4.283 1.00 55.24 H new ATOM 0 HB2 ASN A 14 -9.561 13.854 -5.018 1.00 65.44 H new ATOM 0 HB3 ASN A 14 -9.115 13.342 -6.633 1.00 65.44 H new ATOM 0 HD21 ASN A 14 -12.853 12.935 -5.990 1.00 32.44 H new ATOM 0 HD22 ASN A 14 -11.717 14.253 -5.685 1.00 32.44 H new ATOM 210 N LYS A 15 -6.875 11.342 -6.843 1.00 63.22 N ATOM 211 CA LYS A 15 -6.163 10.426 -7.757 1.00 14.21 C ATOM 212 C LYS A 15 -5.211 9.461 -6.977 1.00 11.20 C ATOM 213 O LYS A 15 -5.076 8.291 -7.349 1.00 2.03 O ATOM 214 CB LYS A 15 -5.393 11.264 -8.820 1.00 72.30 C ATOM 215 CG LYS A 15 -4.649 10.449 -9.906 1.00 63.01 C ATOM 216 CD LYS A 15 -5.565 9.488 -10.710 1.00 12.24 C ATOM 217 CE LYS A 15 -6.658 10.208 -11.521 1.00 74.01 C ATOM 218 NZ LYS A 15 -7.496 9.243 -12.281 1.00 30.43 N ATOM 0 H LYS A 15 -6.474 12.279 -6.809 1.00 63.22 H new ATOM 0 HA LYS A 15 -6.890 9.793 -8.266 1.00 14.21 H new ATOM 0 HB2 LYS A 15 -6.101 11.930 -9.313 1.00 72.30 H new ATOM 0 HB3 LYS A 15 -4.668 11.894 -8.304 1.00 72.30 H new ATOM 0 HG2 LYS A 15 -4.167 11.140 -10.598 1.00 63.01 H new ATOM 0 HG3 LYS A 15 -3.857 9.869 -9.432 1.00 63.01 H new ATOM 0 HD2 LYS A 15 -4.950 8.898 -11.390 1.00 12.24 H new ATOM 0 HD3 LYS A 15 -6.038 8.789 -10.020 1.00 12.24 H new ATOM 0 HE2 LYS A 15 -7.289 10.789 -10.848 1.00 74.01 H new ATOM 0 HE3 LYS A 15 -6.195 10.913 -12.212 1.00 74.01 H new ATOM 0 HZ1 LYS A 15 -8.222 9.760 -12.816 1.00 30.43 H new ATOM 0 HZ2 LYS A 15 -6.896 8.707 -12.940 1.00 30.43 H new ATOM 0 HZ3 LYS A 15 -7.956 8.586 -11.619 1.00 30.43 H new ATOM 232 N CYS A 16 -4.578 9.964 -5.883 1.00 54.35 N ATOM 233 CA CYS A 16 -3.609 9.181 -5.053 1.00 30.34 C ATOM 234 C CYS A 16 -4.269 7.947 -4.381 1.00 35.42 C ATOM 235 O CYS A 16 -3.776 6.835 -4.535 1.00 11.25 O ATOM 236 CB CYS A 16 -2.927 10.070 -3.983 1.00 13.41 C ATOM 237 SG CYS A 16 -1.902 11.400 -4.663 1.00 14.43 S ATOM 0 H CYS A 16 -4.721 10.917 -5.549 1.00 54.35 H new ATOM 0 HA CYS A 16 -2.846 8.816 -5.740 1.00 30.34 H new ATOM 0 HB2 CYS A 16 -3.696 10.509 -3.348 1.00 13.41 H new ATOM 0 HB3 CYS A 16 -2.308 9.440 -3.345 1.00 13.41 H new ATOM 0 HG CYS A 16 -2.637 12.183 -5.396 1.00 14.43 H new ATOM 243 N ARG A 17 -5.373 8.151 -3.637 1.00 31.24 N ATOM 244 CA ARG A 17 -6.149 7.037 -3.020 1.00 22.30 C ATOM 245 C ARG A 17 -6.596 5.978 -4.069 1.00 43.51 C ATOM 246 O ARG A 17 -6.514 4.783 -3.813 1.00 3.15 O ATOM 247 CB ARG A 17 -7.390 7.590 -2.260 1.00 24.22 C ATOM 248 CG ARG A 17 -8.394 8.346 -3.154 1.00 32.42 C ATOM 249 CD ARG A 17 -9.673 8.763 -2.426 1.00 62.44 C ATOM 250 NE ARG A 17 -10.664 9.303 -3.377 1.00 54.21 N ATOM 251 CZ ARG A 17 -11.781 8.703 -3.734 1.00 34.51 C ATOM 252 NH1 ARG A 17 -12.122 7.554 -3.240 1.00 30.13 N ATOM 253 NH2 ARG A 17 -12.543 9.249 -4.611 1.00 44.54 N ATOM 0 H ARG A 17 -5.755 9.077 -3.443 1.00 31.24 H new ATOM 0 HA ARG A 17 -5.484 6.540 -2.313 1.00 22.30 H new ATOM 0 HB2 ARG A 17 -7.905 6.760 -1.776 1.00 24.22 H new ATOM 0 HB3 ARG A 17 -7.050 8.259 -1.469 1.00 24.22 H new ATOM 0 HG2 ARG A 17 -7.910 9.235 -3.557 1.00 32.42 H new ATOM 0 HG3 ARG A 17 -8.659 7.715 -4.002 1.00 32.42 H new ATOM 0 HD2 ARG A 17 -10.095 7.905 -1.902 1.00 62.44 H new ATOM 0 HD3 ARG A 17 -9.439 9.514 -1.672 1.00 62.44 H new ATOM 0 HE ARG A 17 -10.468 10.214 -3.791 1.00 54.21 H new ATOM 0 HH11 ARG A 17 -11.520 7.093 -2.558 1.00 30.13 H new ATOM 0 HH12 ARG A 17 -12.993 7.111 -3.533 1.00 30.13 H new ATOM 0 HH21 ARG A 17 -12.282 10.143 -5.028 1.00 44.54 H new ATOM 0 HH22 ARG A 17 -13.409 8.789 -4.891 1.00 44.54 H new ATOM 267 N GLU A 18 -7.035 6.448 -5.261 1.00 70.25 N ATOM 268 CA GLU A 18 -7.575 5.569 -6.332 1.00 51.52 C ATOM 269 C GLU A 18 -6.503 4.712 -7.036 1.00 1.32 C ATOM 270 O GLU A 18 -6.792 3.584 -7.428 1.00 41.35 O ATOM 271 CB GLU A 18 -8.367 6.408 -7.366 1.00 43.55 C ATOM 272 CG GLU A 18 -9.653 7.055 -6.810 1.00 34.15 C ATOM 273 CD GLU A 18 -10.691 6.029 -6.310 1.00 22.24 C ATOM 274 OE1 GLU A 18 -10.627 5.624 -5.124 1.00 60.42 O ATOM 275 OE2 GLU A 18 -11.579 5.624 -7.098 1.00 13.42 O ATOM 0 H GLU A 18 -7.026 7.438 -5.508 1.00 70.25 H new ATOM 0 HA GLU A 18 -8.244 4.864 -5.839 1.00 51.52 H new ATOM 0 HB2 GLU A 18 -7.717 7.193 -7.753 1.00 43.55 H new ATOM 0 HB3 GLU A 18 -8.631 5.769 -8.209 1.00 43.55 H new ATOM 0 HG2 GLU A 18 -9.389 7.722 -5.990 1.00 34.15 H new ATOM 0 HG3 GLU A 18 -10.107 7.670 -7.588 1.00 34.15 H new ATOM 282 N MET A 19 -5.280 5.252 -7.206 1.00 54.41 N ATOM 283 CA MET A 19 -4.144 4.487 -7.797 1.00 34.04 C ATOM 284 C MET A 19 -3.604 3.422 -6.793 1.00 0.34 C ATOM 285 O MET A 19 -3.095 2.368 -7.200 1.00 64.24 O ATOM 286 CB MET A 19 -3.011 5.440 -8.286 1.00 33.12 C ATOM 287 CG MET A 19 -2.354 6.274 -7.187 1.00 73.42 C ATOM 288 SD MET A 19 -0.993 7.307 -7.766 1.00 13.51 S ATOM 289 CE MET A 19 -1.788 8.446 -8.877 1.00 30.32 C ATOM 0 H MET A 19 -5.046 6.210 -6.946 1.00 54.41 H new ATOM 0 HA MET A 19 -4.519 3.955 -8.672 1.00 34.04 H new ATOM 0 HB2 MET A 19 -2.242 4.844 -8.779 1.00 33.12 H new ATOM 0 HB3 MET A 19 -3.422 6.114 -9.037 1.00 33.12 H new ATOM 0 HG2 MET A 19 -3.110 6.911 -6.727 1.00 73.42 H new ATOM 0 HG3 MET A 19 -1.984 5.606 -6.410 1.00 73.42 H new ATOM 0 HE1 MET A 19 -1.289 8.418 -9.846 1.00 30.32 H new ATOM 0 HE2 MET A 19 -2.834 8.165 -9.000 1.00 30.32 H new ATOM 0 HE3 MET A 19 -1.729 9.455 -8.468 1.00 30.32 H new ATOM 299 N LEU A 20 -3.733 3.715 -5.478 1.00 11.12 N ATOM 300 CA LEU A 20 -3.417 2.754 -4.393 1.00 30.13 C ATOM 301 C LEU A 20 -4.486 1.632 -4.313 1.00 21.23 C ATOM 302 O LEU A 20 -4.151 0.456 -4.123 1.00 70.10 O ATOM 303 CB LEU A 20 -3.314 3.499 -3.033 1.00 24.44 C ATOM 304 CG LEU A 20 -2.221 4.614 -2.944 1.00 61.51 C ATOM 305 CD1 LEU A 20 -2.289 5.371 -1.596 1.00 3.20 C ATOM 306 CD2 LEU A 20 -0.808 4.036 -3.209 1.00 2.13 C ATOM 0 H LEU A 20 -4.058 4.621 -5.139 1.00 11.12 H new ATOM 0 HA LEU A 20 -2.457 2.290 -4.617 1.00 30.13 H new ATOM 0 HB2 LEU A 20 -4.282 3.949 -2.813 1.00 24.44 H new ATOM 0 HB3 LEU A 20 -3.119 2.764 -2.252 1.00 24.44 H new ATOM 0 HG LEU A 20 -2.427 5.342 -3.729 1.00 61.51 H new ATOM 0 HD11 LEU A 20 -1.515 6.138 -1.570 1.00 3.20 H new ATOM 0 HD12 LEU A 20 -3.268 5.839 -1.491 1.00 3.20 H new ATOM 0 HD13 LEU A 20 -2.132 4.670 -0.777 1.00 3.20 H new ATOM 0 HD21 LEU A 20 -0.069 4.835 -3.140 1.00 2.13 H new ATOM 0 HD22 LEU A 20 -0.583 3.269 -2.467 1.00 2.13 H new ATOM 0 HD23 LEU A 20 -0.776 3.597 -4.206 1.00 2.13 H new ATOM 318 N THR A 21 -5.773 2.022 -4.467 1.00 54.44 N ATOM 319 CA THR A 21 -6.916 1.072 -4.551 1.00 34.34 C ATOM 320 C THR A 21 -6.777 0.170 -5.798 1.00 43.22 C ATOM 321 O THR A 21 -7.093 -1.021 -5.753 1.00 41.45 O ATOM 322 CB THR A 21 -8.306 1.817 -4.623 1.00 52.22 C ATOM 323 OG1 THR A 21 -8.420 2.773 -3.567 1.00 41.32 O ATOM 324 CG2 THR A 21 -9.495 0.839 -4.523 1.00 13.32 C ATOM 0 H THR A 21 -6.052 3.001 -4.537 1.00 54.44 H new ATOM 0 HA THR A 21 -6.890 0.471 -3.642 1.00 34.34 H new ATOM 0 HB THR A 21 -8.340 2.315 -5.592 1.00 52.22 H new ATOM 0 HG1 THR A 21 -7.768 3.492 -3.705 1.00 41.32 H new ATOM 0 HG21 THR A 21 -10.430 1.396 -4.577 1.00 13.32 H new ATOM 0 HG22 THR A 21 -9.450 0.126 -5.346 1.00 13.32 H new ATOM 0 HG23 THR A 21 -9.446 0.303 -3.575 1.00 13.32 H new ATOM 332 N ALA A 22 -6.294 0.778 -6.907 1.00 62.43 N ATOM 333 CA ALA A 22 -6.042 0.085 -8.189 1.00 22.11 C ATOM 334 C ALA A 22 -4.983 -1.027 -8.036 1.00 73.12 C ATOM 335 O ALA A 22 -5.114 -2.104 -8.617 1.00 12.20 O ATOM 336 CB ALA A 22 -5.614 1.095 -9.263 1.00 11.01 C ATOM 0 H ALA A 22 -6.067 1.772 -6.935 1.00 62.43 H new ATOM 0 HA ALA A 22 -6.972 -0.390 -8.501 1.00 22.11 H new ATOM 0 HB1 ALA A 22 -5.431 0.572 -10.202 1.00 11.01 H new ATOM 0 HB2 ALA A 22 -6.405 1.832 -9.406 1.00 11.01 H new ATOM 0 HB3 ALA A 22 -4.701 1.599 -8.945 1.00 11.01 H new ATOM 342 N ALA A 23 -3.940 -0.743 -7.234 1.00 60.10 N ATOM 343 CA ALA A 23 -2.892 -1.724 -6.885 1.00 14.22 C ATOM 344 C ALA A 23 -3.440 -2.909 -6.035 1.00 41.54 C ATOM 345 O ALA A 23 -2.944 -4.036 -6.131 1.00 72.22 O ATOM 346 CB ALA A 23 -1.755 -1.004 -6.146 1.00 20.24 C ATOM 0 H ALA A 23 -3.799 0.173 -6.809 1.00 60.10 H new ATOM 0 HA ALA A 23 -2.517 -2.160 -7.811 1.00 14.22 H new ATOM 0 HB1 ALA A 23 -0.978 -1.723 -5.885 1.00 20.24 H new ATOM 0 HB2 ALA A 23 -1.334 -0.232 -6.790 1.00 20.24 H new ATOM 0 HB3 ALA A 23 -2.145 -0.546 -5.237 1.00 20.24 H new ATOM 352 N LEU A 24 -4.454 -2.626 -5.191 1.00 35.50 N ATOM 353 CA LEU A 24 -5.110 -3.641 -4.317 1.00 52.41 C ATOM 354 C LEU A 24 -6.280 -4.402 -5.020 1.00 73.43 C ATOM 355 O LEU A 24 -6.799 -5.396 -4.481 1.00 41.15 O ATOM 356 CB LEU A 24 -5.610 -2.952 -3.021 1.00 70.34 C ATOM 357 CG LEU A 24 -4.515 -2.246 -2.150 1.00 72.30 C ATOM 358 CD1 LEU A 24 -5.138 -1.524 -0.927 1.00 11.41 C ATOM 359 CD2 LEU A 24 -3.413 -3.250 -1.715 1.00 22.34 C ATOM 0 H LEU A 24 -4.846 -1.690 -5.091 1.00 35.50 H new ATOM 0 HA LEU A 24 -4.362 -4.397 -4.080 1.00 52.41 H new ATOM 0 HB2 LEU A 24 -6.362 -2.211 -3.294 1.00 70.34 H new ATOM 0 HB3 LEU A 24 -6.109 -3.700 -2.405 1.00 70.34 H new ATOM 0 HG LEU A 24 -4.043 -1.483 -2.769 1.00 72.30 H new ATOM 0 HD11 LEU A 24 -4.349 -1.046 -0.346 1.00 11.41 H new ATOM 0 HD12 LEU A 24 -5.844 -0.768 -1.271 1.00 11.41 H new ATOM 0 HD13 LEU A 24 -5.659 -2.250 -0.303 1.00 11.41 H new ATOM 0 HD21 LEU A 24 -2.667 -2.733 -1.112 1.00 22.34 H new ATOM 0 HD22 LEU A 24 -3.862 -4.051 -1.128 1.00 22.34 H new ATOM 0 HD23 LEU A 24 -2.936 -3.672 -2.599 1.00 22.34 H new ATOM 371 N GLN A 25 -6.711 -3.917 -6.201 1.00 1.14 N ATOM 372 CA GLN A 25 -7.802 -4.557 -7.008 1.00 42.35 C ATOM 373 C GLN A 25 -7.285 -5.056 -8.380 1.00 72.43 C ATOM 374 O GLN A 25 -8.082 -5.551 -9.189 1.00 31.24 O ATOM 375 CB GLN A 25 -8.984 -3.559 -7.226 1.00 2.03 C ATOM 376 CG GLN A 25 -8.702 -2.416 -8.225 1.00 41.13 C ATOM 377 CD GLN A 25 -9.886 -1.465 -8.423 1.00 2.21 C ATOM 378 OE1 GLN A 25 -9.964 -0.428 -7.617 1.00 34.43 O flip ATOM 379 NE2 GLN A 25 -10.721 -1.665 -9.297 1.00 14.11 N flip ATOM 0 H GLN A 25 -6.324 -3.077 -6.632 1.00 1.14 H new ATOM 0 HA GLN A 25 -8.155 -5.419 -6.442 1.00 42.35 H new ATOM 0 HB2 GLN A 25 -9.852 -4.119 -7.574 1.00 2.03 H new ATOM 0 HB3 GLN A 25 -9.252 -3.122 -6.264 1.00 2.03 H new ATOM 0 HG2 GLN A 25 -7.842 -1.844 -7.876 1.00 41.13 H new ATOM 0 HG3 GLN A 25 -8.428 -2.847 -9.188 1.00 41.13 H new ATOM 0 HE21 GLN A 25 -10.635 -2.477 -9.908 1.00 14.11 H new ATOM 0 HE22 GLN A 25 -11.502 -1.019 -9.414 1.00 14.11 H new ATOM 388 N THR A 26 -5.956 -4.957 -8.608 1.00 21.33 N ATOM 389 CA THR A 26 -5.316 -5.199 -9.930 1.00 12.20 C ATOM 390 C THR A 26 -5.644 -6.596 -10.524 1.00 54.34 C ATOM 391 O THR A 26 -5.892 -6.728 -11.726 1.00 44.22 O ATOM 392 CB THR A 26 -3.758 -4.991 -9.856 1.00 73.20 C ATOM 393 OG1 THR A 26 -3.160 -5.164 -11.152 1.00 0.12 O ATOM 394 CG2 THR A 26 -3.076 -5.936 -8.845 1.00 24.55 C ATOM 0 H THR A 26 -5.289 -4.706 -7.878 1.00 21.33 H new ATOM 0 HA THR A 26 -5.743 -4.459 -10.606 1.00 12.20 H new ATOM 0 HB THR A 26 -3.602 -3.969 -9.510 1.00 73.20 H new ATOM 0 HG1 THR A 26 -2.192 -5.029 -11.086 1.00 0.12 H new ATOM 0 HG21 THR A 26 -2.003 -5.747 -8.837 1.00 24.55 H new ATOM 0 HG22 THR A 26 -3.483 -5.759 -7.849 1.00 24.55 H new ATOM 0 HG23 THR A 26 -3.260 -6.971 -9.133 1.00 24.55 H new ATOM 402 N ASP A 27 -5.678 -7.617 -9.657 1.00 35.03 N ATOM 403 CA ASP A 27 -6.009 -9.010 -10.040 1.00 31.42 C ATOM 404 C ASP A 27 -7.207 -9.528 -9.185 1.00 15.13 C ATOM 405 O ASP A 27 -7.448 -10.735 -9.094 1.00 15.24 O ATOM 406 CB ASP A 27 -4.725 -9.880 -9.858 1.00 13.43 C ATOM 407 CG ASP A 27 -4.816 -11.270 -10.508 1.00 15.24 C ATOM 408 OD1 ASP A 27 -4.765 -11.350 -11.750 1.00 63.41 O ATOM 409 OD2 ASP A 27 -4.952 -12.282 -9.787 1.00 52.13 O ATOM 0 H ASP A 27 -5.477 -7.507 -8.663 1.00 35.03 H new ATOM 0 HA ASP A 27 -6.323 -9.067 -11.082 1.00 31.42 H new ATOM 0 HB2 ASP A 27 -3.874 -9.347 -10.282 1.00 13.43 H new ATOM 0 HB3 ASP A 27 -4.528 -10.000 -8.793 1.00 13.43 H new ATOM 414 N HIS A 28 -7.987 -8.571 -8.609 1.00 0.30 N ATOM 415 CA HIS A 28 -9.111 -8.842 -7.659 1.00 70.44 C ATOM 416 C HIS A 28 -8.591 -9.512 -6.355 1.00 52.23 C ATOM 417 O HIS A 28 -9.253 -10.366 -5.753 1.00 32.12 O ATOM 418 CB HIS A 28 -10.238 -9.683 -8.333 1.00 53.44 C ATOM 419 CG HIS A 28 -10.732 -9.105 -9.626 1.00 42.40 C ATOM 420 ND1 HIS A 28 -10.548 -9.718 -10.842 1.00 32.24 N ATOM 421 CD2 HIS A 28 -11.388 -7.955 -9.887 1.00 22.50 C ATOM 422 CE1 HIS A 28 -11.064 -8.974 -11.792 1.00 50.32 C ATOM 423 NE2 HIS A 28 -11.582 -7.900 -11.243 1.00 71.21 N ATOM 0 H HIS A 28 -7.853 -7.576 -8.792 1.00 0.30 H new ATOM 0 HA HIS A 28 -9.551 -7.884 -7.381 1.00 70.44 H new ATOM 0 HB2 HIS A 28 -9.867 -10.692 -8.515 1.00 53.44 H new ATOM 0 HB3 HIS A 28 -11.076 -9.771 -7.641 1.00 53.44 H new ATOM 0 HD2 HIS A 28 -11.701 -7.217 -9.164 1.00 22.50 H new ATOM 0 HE1 HIS A 28 -11.063 -9.206 -12.847 1.00 50.32 H new ATOM 0 HE2 HIS A 28 -12.053 -7.147 -11.744 1.00 71.21 H new ATOM 432 N ASP A 29 -7.413 -9.043 -5.911 1.00 3.02 N ATOM 433 CA ASP A 29 -6.645 -9.618 -4.775 1.00 44.35 C ATOM 434 C ASP A 29 -7.416 -9.488 -3.446 1.00 35.34 C ATOM 435 O ASP A 29 -7.528 -10.451 -2.673 1.00 14.31 O ATOM 436 CB ASP A 29 -5.276 -8.895 -4.664 1.00 12.33 C ATOM 437 CG ASP A 29 -4.625 -8.681 -6.037 1.00 13.42 C ATOM 438 OD1 ASP A 29 -4.925 -7.651 -6.681 1.00 1.04 O ATOM 439 OD2 ASP A 29 -3.840 -9.551 -6.487 1.00 31.33 O ATOM 0 H ASP A 29 -6.952 -8.238 -6.335 1.00 3.02 H new ATOM 0 HA ASP A 29 -6.492 -10.680 -4.967 1.00 44.35 H new ATOM 0 HB2 ASP A 29 -5.414 -7.931 -4.174 1.00 12.33 H new ATOM 0 HB3 ASP A 29 -4.607 -9.480 -4.033 1.00 12.33 H new ATOM 444 N HIS A 30 -7.939 -8.267 -3.205 1.00 22.45 N ATOM 445 CA HIS A 30 -8.750 -7.958 -2.012 1.00 41.11 C ATOM 446 C HIS A 30 -10.055 -8.792 -1.972 1.00 11.10 C ATOM 447 O HIS A 30 -10.552 -9.090 -0.902 1.00 43.12 O ATOM 448 CB HIS A 30 -9.067 -6.439 -1.943 1.00 75.15 C ATOM 449 CG HIS A 30 -10.108 -5.954 -2.924 1.00 53.23 C ATOM 450 ND1 HIS A 30 -9.835 -5.682 -4.243 1.00 4.21 N ATOM 451 CD2 HIS A 30 -11.441 -5.713 -2.772 1.00 23.14 C ATOM 452 CE1 HIS A 30 -10.939 -5.299 -4.852 1.00 60.02 C ATOM 453 NE2 HIS A 30 -11.924 -5.311 -3.985 1.00 41.43 N ATOM 0 H HIS A 30 -7.811 -7.472 -3.830 1.00 22.45 H new ATOM 0 HA HIS A 30 -8.161 -8.231 -1.136 1.00 41.11 H new ATOM 0 HB2 HIS A 30 -9.402 -6.200 -0.934 1.00 75.15 H new ATOM 0 HB3 HIS A 30 -8.145 -5.884 -2.112 1.00 75.15 H new ATOM 0 HD2 HIS A 30 -12.010 -5.820 -1.861 1.00 23.14 H new ATOM 0 HE1 HIS A 30 -11.020 -5.021 -5.893 1.00 60.02 H new ATOM 0 HE2 HIS A 30 -12.893 -5.061 -4.184 1.00 41.43 H new ATOM 462 N VAL A 31 -10.586 -9.162 -3.160 1.00 60.02 N ATOM 463 CA VAL A 31 -11.829 -9.971 -3.279 1.00 11.51 C ATOM 464 C VAL A 31 -11.578 -11.426 -2.812 1.00 51.35 C ATOM 465 O VAL A 31 -12.396 -12.014 -2.097 1.00 13.11 O ATOM 466 CB VAL A 31 -12.381 -9.980 -4.759 1.00 62.15 C ATOM 467 CG1 VAL A 31 -13.740 -10.718 -4.861 1.00 1.12 C ATOM 468 CG2 VAL A 31 -12.482 -8.547 -5.333 1.00 13.14 C ATOM 0 H VAL A 31 -10.172 -8.913 -4.058 1.00 60.02 H new ATOM 0 HA VAL A 31 -12.578 -9.507 -2.637 1.00 11.51 H new ATOM 0 HB VAL A 31 -11.663 -10.532 -5.365 1.00 62.15 H new ATOM 0 HG11 VAL A 31 -14.086 -10.702 -5.895 1.00 1.12 H new ATOM 0 HG12 VAL A 31 -13.618 -11.751 -4.535 1.00 1.12 H new ATOM 0 HG13 VAL A 31 -14.473 -10.221 -4.226 1.00 1.12 H new ATOM 0 HG21 VAL A 31 -12.865 -8.590 -6.353 1.00 13.14 H new ATOM 0 HG22 VAL A 31 -13.158 -7.955 -4.716 1.00 13.14 H new ATOM 0 HG23 VAL A 31 -11.494 -8.086 -5.335 1.00 13.14 H new ATOM 478 N ALA A 32 -10.420 -11.979 -3.226 1.00 32.13 N ATOM 479 CA ALA A 32 -9.974 -13.339 -2.843 1.00 24.33 C ATOM 480 C ALA A 32 -9.815 -13.490 -1.307 1.00 25.14 C ATOM 481 O ALA A 32 -10.129 -14.540 -0.736 1.00 43.22 O ATOM 482 CB ALA A 32 -8.654 -13.668 -3.558 1.00 14.01 C ATOM 0 H ALA A 32 -9.763 -11.495 -3.838 1.00 32.13 H new ATOM 0 HA ALA A 32 -10.744 -14.046 -3.153 1.00 24.33 H new ATOM 0 HB1 ALA A 32 -8.327 -14.669 -3.276 1.00 14.01 H new ATOM 0 HB2 ALA A 32 -8.804 -13.626 -4.637 1.00 14.01 H new ATOM 0 HB3 ALA A 32 -7.893 -12.943 -3.269 1.00 14.01 H new ATOM 488 N ILE A 33 -9.326 -12.418 -0.661 1.00 3.43 N ATOM 489 CA ILE A 33 -9.115 -12.364 0.810 1.00 63.13 C ATOM 490 C ILE A 33 -10.397 -11.880 1.558 1.00 22.55 C ATOM 491 O ILE A 33 -10.621 -12.230 2.727 1.00 34.33 O ATOM 492 CB ILE A 33 -7.877 -11.435 1.127 1.00 12.52 C ATOM 493 CG1 ILE A 33 -6.607 -11.997 0.394 1.00 53.31 C ATOM 494 CG2 ILE A 33 -7.620 -11.285 2.655 1.00 14.20 C ATOM 495 CD1 ILE A 33 -5.344 -11.175 0.554 1.00 33.51 C ATOM 0 H ILE A 33 -9.062 -11.557 -1.140 1.00 3.43 H new ATOM 0 HA ILE A 33 -8.905 -13.371 1.172 1.00 63.13 H new ATOM 0 HB ILE A 33 -8.101 -10.434 0.757 1.00 12.52 H new ATOM 0 HG12 ILE A 33 -6.413 -13.005 0.762 1.00 53.31 H new ATOM 0 HG13 ILE A 33 -6.831 -12.083 -0.669 1.00 53.31 H new ATOM 0 HG21 ILE A 33 -6.759 -10.637 2.817 1.00 14.20 H new ATOM 0 HG22 ILE A 33 -8.498 -10.848 3.130 1.00 14.20 H new ATOM 0 HG23 ILE A 33 -7.423 -12.265 3.089 1.00 14.20 H new ATOM 0 HD11 ILE A 33 -4.529 -11.651 0.009 1.00 33.51 H new ATOM 0 HD12 ILE A 33 -5.509 -10.173 0.157 1.00 33.51 H new ATOM 0 HD13 ILE A 33 -5.084 -11.109 1.611 1.00 33.51 H new ATOM 507 N GLY A 34 -11.245 -11.111 0.851 1.00 51.13 N ATOM 508 CA GLY A 34 -12.475 -10.535 1.426 1.00 52.21 C ATOM 509 C GLY A 34 -12.242 -9.231 2.204 1.00 31.40 C ATOM 510 O GLY A 34 -12.990 -8.918 3.140 1.00 2.42 O ATOM 0 H GLY A 34 -11.098 -10.872 -0.130 1.00 51.13 H new ATOM 0 HA2 GLY A 34 -13.187 -10.346 0.623 1.00 52.21 H new ATOM 0 HA3 GLY A 34 -12.932 -11.268 2.091 1.00 52.21 H new ATOM 514 N ALA A 35 -11.200 -8.476 1.812 1.00 13.04 N ATOM 515 CA ALA A 35 -10.840 -7.174 2.422 1.00 10.22 C ATOM 516 C ALA A 35 -11.362 -5.991 1.576 1.00 64.33 C ATOM 517 O ALA A 35 -11.276 -6.020 0.352 1.00 51.31 O ATOM 518 CB ALA A 35 -9.315 -7.085 2.559 1.00 3.13 C ATOM 0 H ALA A 35 -10.575 -8.752 1.055 1.00 13.04 H new ATOM 0 HA ALA A 35 -11.307 -7.112 3.405 1.00 10.22 H new ATOM 0 HB1 ALA A 35 -9.045 -6.129 3.007 1.00 3.13 H new ATOM 0 HB2 ALA A 35 -8.959 -7.897 3.193 1.00 3.13 H new ATOM 0 HB3 ALA A 35 -8.856 -7.166 1.574 1.00 3.13 H new ATOM 524 N ASP A 36 -11.899 -4.948 2.239 1.00 52.03 N ATOM 525 CA ASP A 36 -12.340 -3.707 1.556 1.00 42.41 C ATOM 526 C ASP A 36 -11.123 -2.790 1.263 1.00 22.42 C ATOM 527 O ASP A 36 -10.660 -2.062 2.136 1.00 34.21 O ATOM 528 CB ASP A 36 -13.399 -2.962 2.408 1.00 53.22 C ATOM 529 CG ASP A 36 -14.653 -3.808 2.652 1.00 20.13 C ATOM 530 OD1 ASP A 36 -15.486 -3.930 1.733 1.00 22.44 O ATOM 531 OD2 ASP A 36 -14.812 -4.365 3.755 1.00 24.41 O ATOM 0 H ASP A 36 -12.040 -4.937 3.249 1.00 52.03 H new ATOM 0 HA ASP A 36 -12.801 -3.979 0.606 1.00 42.41 H new ATOM 0 HB2 ASP A 36 -12.960 -2.683 3.366 1.00 53.22 H new ATOM 0 HB3 ASP A 36 -13.680 -2.037 1.905 1.00 53.22 H new ATOM 536 N CYS A 37 -10.614 -2.846 0.022 1.00 54.45 N ATOM 537 CA CYS A 37 -9.367 -2.137 -0.390 1.00 62.31 C ATOM 538 C CYS A 37 -9.490 -0.593 -0.397 1.00 65.52 C ATOM 539 O CYS A 37 -8.481 0.103 -0.288 1.00 64.34 O ATOM 540 CB CYS A 37 -8.961 -2.613 -1.796 1.00 3.01 C ATOM 541 SG CYS A 37 -10.226 -2.352 -3.057 1.00 33.31 S ATOM 0 H CYS A 37 -11.046 -3.380 -0.732 1.00 54.45 H new ATOM 0 HA CYS A 37 -8.611 -2.384 0.355 1.00 62.31 H new ATOM 0 HB2 CYS A 37 -8.052 -2.092 -2.096 1.00 3.01 H new ATOM 0 HB3 CYS A 37 -8.720 -3.675 -1.753 1.00 3.01 H new ATOM 0 HG CYS A 37 -9.791 -2.782 -4.204 1.00 33.31 H new ATOM 547 N GLU A 38 -10.727 -0.076 -0.521 1.00 24.22 N ATOM 548 CA GLU A 38 -10.992 1.384 -0.682 1.00 23.42 C ATOM 549 C GLU A 38 -10.704 2.168 0.625 1.00 71.22 C ATOM 550 O GLU A 38 -10.133 3.265 0.598 1.00 35.44 O ATOM 551 CB GLU A 38 -12.459 1.605 -1.145 1.00 15.13 C ATOM 552 CG GLU A 38 -12.910 0.632 -2.259 1.00 74.01 C ATOM 553 CD GLU A 38 -14.279 0.982 -2.868 1.00 14.25 C ATOM 554 OE1 GLU A 38 -15.318 0.631 -2.264 1.00 4.11 O ATOM 555 OE2 GLU A 38 -14.323 1.614 -3.949 1.00 55.43 O ATOM 0 H GLU A 38 -11.572 -0.647 -0.514 1.00 24.22 H new ATOM 0 HA GLU A 38 -10.314 1.770 -1.444 1.00 23.42 H new ATOM 0 HB2 GLU A 38 -13.122 1.495 -0.287 1.00 15.13 H new ATOM 0 HB3 GLU A 38 -12.568 2.629 -1.502 1.00 15.13 H new ATOM 0 HG2 GLU A 38 -12.161 0.627 -3.050 1.00 74.01 H new ATOM 0 HG3 GLU A 38 -12.951 -0.378 -1.852 1.00 74.01 H new ATOM 562 N ARG A 39 -11.120 1.587 1.766 1.00 74.40 N ATOM 563 CA ARG A 39 -10.838 2.147 3.110 1.00 40.34 C ATOM 564 C ARG A 39 -9.351 1.946 3.508 1.00 2.40 C ATOM 565 O ARG A 39 -8.768 2.797 4.180 1.00 23.02 O ATOM 566 CB ARG A 39 -11.780 1.508 4.171 1.00 20.32 C ATOM 567 CG ARG A 39 -11.724 -0.030 4.217 1.00 21.31 C ATOM 568 CD ARG A 39 -12.633 -0.648 5.285 1.00 14.42 C ATOM 569 NE ARG A 39 -12.126 -0.398 6.643 1.00 61.44 N ATOM 570 CZ ARG A 39 -12.844 -0.369 7.745 1.00 34.14 C ATOM 571 NH1 ARG A 39 -14.134 -0.459 7.725 1.00 24.31 N ATOM 572 NH2 ARG A 39 -12.247 -0.247 8.878 1.00 62.24 N ATOM 0 H ARG A 39 -11.658 0.721 1.787 1.00 74.40 H new ATOM 0 HA ARG A 39 -11.028 3.220 3.073 1.00 40.34 H new ATOM 0 HB2 ARG A 39 -11.520 1.900 5.154 1.00 20.32 H new ATOM 0 HB3 ARG A 39 -12.805 1.817 3.965 1.00 20.32 H new ATOM 0 HG2 ARG A 39 -12.005 -0.424 3.241 1.00 21.31 H new ATOM 0 HG3 ARG A 39 -10.696 -0.342 4.403 1.00 21.31 H new ATOM 0 HD2 ARG A 39 -13.638 -0.236 5.190 1.00 14.42 H new ATOM 0 HD3 ARG A 39 -12.712 -1.722 5.118 1.00 14.42 H new ATOM 0 HE ARG A 39 -11.124 -0.232 6.739 1.00 61.44 H new ATOM 0 HH11 ARG A 39 -14.625 -0.556 6.836 1.00 24.31 H new ATOM 0 HH12 ARG A 39 -14.661 -0.433 8.598 1.00 24.31 H new ATOM 0 HH21 ARG A 39 -11.230 -0.174 8.913 1.00 62.24 H new ATOM 0 HH22 ARG A 39 -12.790 -0.223 9.741 1.00 62.24 H new ATOM 586 N LEU A 40 -8.751 0.815 3.071 1.00 51.40 N ATOM 587 CA LEU A 40 -7.333 0.493 3.360 1.00 61.11 C ATOM 588 C LEU A 40 -6.381 1.495 2.676 1.00 74.42 C ATOM 589 O LEU A 40 -5.498 2.047 3.324 1.00 45.25 O ATOM 590 CB LEU A 40 -6.990 -0.956 2.917 1.00 14.44 C ATOM 591 CG LEU A 40 -7.813 -2.094 3.603 1.00 50.35 C ATOM 592 CD1 LEU A 40 -7.402 -3.489 3.081 1.00 32.24 C ATOM 593 CD2 LEU A 40 -7.713 -2.020 5.144 1.00 60.04 C ATOM 0 H LEU A 40 -9.229 0.107 2.514 1.00 51.40 H new ATOM 0 HA LEU A 40 -7.195 0.570 4.438 1.00 61.11 H new ATOM 0 HB2 LEU A 40 -7.134 -1.029 1.839 1.00 14.44 H new ATOM 0 HB3 LEU A 40 -5.932 -1.133 3.110 1.00 14.44 H new ATOM 0 HG LEU A 40 -8.858 -1.939 3.335 1.00 50.35 H new ATOM 0 HD11 LEU A 40 -7.996 -4.254 3.581 1.00 32.24 H new ATOM 0 HD12 LEU A 40 -7.575 -3.541 2.006 1.00 32.24 H new ATOM 0 HD13 LEU A 40 -6.345 -3.658 3.287 1.00 32.24 H new ATOM 0 HD21 LEU A 40 -8.298 -2.827 5.586 1.00 60.04 H new ATOM 0 HD22 LEU A 40 -6.671 -2.120 5.446 1.00 60.04 H new ATOM 0 HD23 LEU A 40 -8.100 -1.061 5.488 1.00 60.04 H new ATOM 605 N SER A 41 -6.611 1.734 1.370 1.00 41.24 N ATOM 606 CA SER A 41 -5.795 2.652 0.528 1.00 72.53 C ATOM 607 C SER A 41 -5.785 4.093 1.082 1.00 13.04 C ATOM 608 O SER A 41 -4.771 4.782 1.003 1.00 70.43 O ATOM 609 CB SER A 41 -6.347 2.673 -0.910 1.00 11.35 C ATOM 610 OG SER A 41 -7.679 3.162 -0.931 1.00 44.41 O ATOM 0 H SER A 41 -7.375 1.294 0.858 1.00 41.24 H new ATOM 0 HA SER A 41 -4.772 2.276 0.538 1.00 72.53 H new ATOM 0 HB2 SER A 41 -5.715 3.300 -1.538 1.00 11.35 H new ATOM 0 HB3 SER A 41 -6.317 1.668 -1.331 1.00 11.35 H new ATOM 0 HG SER A 41 -8.046 3.072 -1.835 1.00 44.41 H new ATOM 616 N ALA A 42 -6.944 4.525 1.620 1.00 5.11 N ATOM 617 CA ALA A 42 -7.103 5.822 2.316 1.00 42.32 C ATOM 618 C ALA A 42 -6.218 5.916 3.590 1.00 60.41 C ATOM 619 O ALA A 42 -5.781 7.001 3.971 1.00 23.34 O ATOM 620 CB ALA A 42 -8.585 6.047 2.669 1.00 34.11 C ATOM 0 H ALA A 42 -7.805 3.979 1.584 1.00 5.11 H new ATOM 0 HA ALA A 42 -6.768 6.607 1.637 1.00 42.32 H new ATOM 0 HB1 ALA A 42 -8.696 7.003 3.181 1.00 34.11 H new ATOM 0 HB2 ALA A 42 -9.180 6.053 1.756 1.00 34.11 H new ATOM 0 HB3 ALA A 42 -8.930 5.244 3.321 1.00 34.11 H new ATOM 626 N GLN A 43 -5.992 4.764 4.258 1.00 61.10 N ATOM 627 CA GLN A 43 -5.109 4.672 5.449 1.00 22.13 C ATOM 628 C GLN A 43 -3.595 4.657 5.063 1.00 74.14 C ATOM 629 O GLN A 43 -2.756 5.109 5.851 1.00 23.34 O ATOM 630 CB GLN A 43 -5.485 3.431 6.292 1.00 62.30 C ATOM 631 CG GLN A 43 -6.940 3.410 6.804 1.00 54.53 C ATOM 632 CD GLN A 43 -7.319 2.121 7.549 1.00 23.23 C ATOM 633 OE1 GLN A 43 -6.490 1.499 8.203 1.00 13.02 O ATOM 634 NE2 GLN A 43 -8.567 1.700 7.446 1.00 44.55 N ATOM 0 H GLN A 43 -6.413 3.874 3.991 1.00 61.10 H new ATOM 0 HA GLN A 43 -5.266 5.567 6.050 1.00 22.13 H new ATOM 0 HB2 GLN A 43 -5.313 2.537 5.692 1.00 62.30 H new ATOM 0 HB3 GLN A 43 -4.813 3.374 7.148 1.00 62.30 H new ATOM 0 HG2 GLN A 43 -7.093 4.260 7.468 1.00 54.53 H new ATOM 0 HG3 GLN A 43 -7.615 3.541 5.958 1.00 54.53 H new ATOM 0 HE21 GLN A 43 -9.241 2.233 6.897 1.00 44.55 H new ATOM 0 HE22 GLN A 43 -8.856 0.842 7.916 1.00 44.55 H new ATOM 643 N ILE A 44 -3.241 4.111 3.864 1.00 63.20 N ATOM 644 CA ILE A 44 -1.878 4.316 3.278 1.00 4.51 C ATOM 645 C ILE A 44 -1.698 5.817 2.935 1.00 42.42 C ATOM 646 O ILE A 44 -0.648 6.416 3.225 1.00 54.13 O ATOM 647 CB ILE A 44 -1.579 3.434 1.974 1.00 3.43 C ATOM 648 CG1 ILE A 44 -1.437 1.900 2.294 1.00 14.21 C ATOM 649 CG2 ILE A 44 -0.304 3.926 1.225 1.00 32.13 C ATOM 650 CD1 ILE A 44 -2.727 1.121 2.427 1.00 24.12 C ATOM 0 H ILE A 44 -3.863 3.538 3.294 1.00 63.20 H new ATOM 0 HA ILE A 44 -1.165 3.986 4.034 1.00 4.51 H new ATOM 0 HB ILE A 44 -2.447 3.565 1.328 1.00 3.43 H new ATOM 0 HG12 ILE A 44 -0.839 1.440 1.507 1.00 14.21 H new ATOM 0 HG13 ILE A 44 -0.876 1.795 3.223 1.00 14.21 H new ATOM 0 HG21 ILE A 44 -0.135 3.303 0.347 1.00 32.13 H new ATOM 0 HG22 ILE A 44 -0.442 4.962 0.914 1.00 32.13 H new ATOM 0 HG23 ILE A 44 0.557 3.858 1.890 1.00 32.13 H new ATOM 0 HD11 ILE A 44 -2.501 0.078 2.647 1.00 24.12 H new ATOM 0 HD12 ILE A 44 -3.324 1.542 3.236 1.00 24.12 H new ATOM 0 HD13 ILE A 44 -3.287 1.182 1.494 1.00 24.12 H new ATOM 662 N GLU A 45 -2.761 6.404 2.337 1.00 75.52 N ATOM 663 CA GLU A 45 -2.785 7.813 1.901 1.00 3.13 C ATOM 664 C GLU A 45 -2.559 8.787 3.073 1.00 61.54 C ATOM 665 O GLU A 45 -1.685 9.637 2.989 1.00 0.00 O ATOM 666 CB GLU A 45 -4.119 8.151 1.181 1.00 23.03 C ATOM 667 CG GLU A 45 -4.294 9.651 0.830 1.00 61.00 C ATOM 668 CD GLU A 45 -5.606 9.957 0.093 1.00 5.04 C ATOM 669 OE1 GLU A 45 -6.680 9.982 0.741 1.00 34.21 O ATOM 670 OE2 GLU A 45 -5.564 10.157 -1.134 1.00 25.24 O ATOM 0 H GLU A 45 -3.630 5.907 2.144 1.00 75.52 H new ATOM 0 HA GLU A 45 -1.961 7.938 1.199 1.00 3.13 H new ATOM 0 HB2 GLU A 45 -4.181 7.566 0.263 1.00 23.03 H new ATOM 0 HB3 GLU A 45 -4.949 7.839 1.815 1.00 23.03 H new ATOM 0 HG2 GLU A 45 -4.256 10.238 1.748 1.00 61.00 H new ATOM 0 HG3 GLU A 45 -3.456 9.972 0.212 1.00 61.00 H new ATOM 677 N GLU A 46 -3.333 8.638 4.168 1.00 32.11 N ATOM 678 CA GLU A 46 -3.273 9.566 5.323 1.00 70.03 C ATOM 679 C GLU A 46 -1.894 9.519 6.029 1.00 44.35 C ATOM 680 O GLU A 46 -1.427 10.527 6.558 1.00 25.23 O ATOM 681 CB GLU A 46 -4.457 9.313 6.308 1.00 61.31 C ATOM 682 CG GLU A 46 -4.485 7.958 7.066 1.00 42.33 C ATOM 683 CD GLU A 46 -3.555 7.881 8.300 1.00 74.10 C ATOM 684 OE1 GLU A 46 -3.655 8.754 9.183 1.00 51.31 O ATOM 685 OE2 GLU A 46 -2.729 6.944 8.389 1.00 31.03 O ATOM 0 H GLU A 46 -4.009 7.883 4.279 1.00 32.11 H new ATOM 0 HA GLU A 46 -3.385 10.581 4.941 1.00 70.03 H new ATOM 0 HB2 GLU A 46 -4.454 10.112 7.049 1.00 61.31 H new ATOM 0 HB3 GLU A 46 -5.387 9.403 5.746 1.00 61.31 H new ATOM 0 HG2 GLU A 46 -5.507 7.759 7.387 1.00 42.33 H new ATOM 0 HG3 GLU A 46 -4.209 7.164 6.372 1.00 42.33 H new ATOM 692 N CYS A 47 -1.260 8.329 6.025 1.00 30.33 N ATOM 693 CA CYS A 47 0.076 8.117 6.625 1.00 74.11 C ATOM 694 C CYS A 47 1.180 8.878 5.854 1.00 73.41 C ATOM 695 O CYS A 47 1.993 9.595 6.459 1.00 0.42 O ATOM 696 CB CYS A 47 0.397 6.612 6.683 1.00 4.53 C ATOM 697 SG CYS A 47 1.979 6.235 7.466 1.00 22.43 S ATOM 0 H CYS A 47 -1.658 7.488 5.607 1.00 30.33 H new ATOM 0 HA CYS A 47 0.053 8.517 7.639 1.00 74.11 H new ATOM 0 HB2 CYS A 47 -0.398 6.101 7.226 1.00 4.53 H new ATOM 0 HB3 CYS A 47 0.399 6.211 5.669 1.00 4.53 H new ATOM 0 HG CYS A 47 2.129 4.946 7.543 1.00 22.43 H new ATOM 703 N ILE A 48 1.191 8.722 4.513 1.00 12.43 N ATOM 704 CA ILE A 48 2.117 9.470 3.624 1.00 55.53 C ATOM 705 C ILE A 48 1.701 10.975 3.519 1.00 45.21 C ATOM 706 O ILE A 48 2.526 11.836 3.241 1.00 33.24 O ATOM 707 CB ILE A 48 2.232 8.790 2.193 1.00 33.12 C ATOM 708 CG1 ILE A 48 3.410 9.406 1.357 1.00 13.23 C ATOM 709 CG2 ILE A 48 0.901 8.866 1.404 1.00 13.42 C ATOM 710 CD1 ILE A 48 3.632 8.777 -0.015 1.00 21.34 C ATOM 0 H ILE A 48 0.569 8.084 4.017 1.00 12.43 H new ATOM 0 HA ILE A 48 3.109 9.433 4.073 1.00 55.53 H new ATOM 0 HB ILE A 48 2.452 7.736 2.364 1.00 33.12 H new ATOM 0 HG12 ILE A 48 3.222 10.471 1.224 1.00 13.23 H new ATOM 0 HG13 ILE A 48 4.330 9.315 1.934 1.00 13.23 H new ATOM 0 HG21 ILE A 48 1.026 8.389 0.432 1.00 13.42 H new ATOM 0 HG22 ILE A 48 0.118 8.353 1.962 1.00 13.42 H new ATOM 0 HG23 ILE A 48 0.621 9.910 1.262 1.00 13.42 H new ATOM 0 HD11 ILE A 48 4.467 9.272 -0.512 1.00 21.34 H new ATOM 0 HD12 ILE A 48 3.857 7.717 0.103 1.00 21.34 H new ATOM 0 HD13 ILE A 48 2.731 8.892 -0.618 1.00 21.34 H new ATOM 722 N PHE A 49 0.406 11.270 3.770 1.00 14.53 N ATOM 723 CA PHE A 49 -0.147 12.652 3.739 1.00 1.21 C ATOM 724 C PHE A 49 0.318 13.484 4.966 1.00 64.41 C ATOM 725 O PHE A 49 0.586 14.687 4.845 1.00 33.14 O ATOM 726 CB PHE A 49 -1.699 12.604 3.671 1.00 63.20 C ATOM 727 CG PHE A 49 -2.399 13.961 3.527 1.00 72.14 C ATOM 728 CD1 PHE A 49 -2.394 14.641 2.309 1.00 12.44 C ATOM 729 CD2 PHE A 49 -3.065 14.552 4.605 1.00 71.42 C ATOM 730 CE1 PHE A 49 -3.033 15.860 2.172 1.00 52.14 C ATOM 731 CE2 PHE A 49 -3.702 15.771 4.467 1.00 44.42 C ATOM 732 CZ PHE A 49 -3.683 16.425 3.250 1.00 45.51 C ATOM 0 H PHE A 49 -0.289 10.560 4.000 1.00 14.53 H new ATOM 0 HA PHE A 49 0.235 13.146 2.845 1.00 1.21 H new ATOM 0 HB2 PHE A 49 -1.988 11.975 2.829 1.00 63.20 H new ATOM 0 HB3 PHE A 49 -2.069 12.118 4.574 1.00 63.20 H new ATOM 0 HD1 PHE A 49 -1.884 14.209 1.461 1.00 12.44 H new ATOM 0 HD2 PHE A 49 -3.082 14.048 5.560 1.00 71.42 H new ATOM 0 HE1 PHE A 49 -3.023 16.370 1.220 1.00 52.14 H new ATOM 0 HE2 PHE A 49 -4.214 16.212 5.310 1.00 44.42 H new ATOM 0 HZ PHE A 49 -4.177 17.379 3.142 1.00 45.51 H new ATOM 742 N ARG A 50 0.406 12.831 6.139 1.00 63.11 N ATOM 743 CA ARG A 50 0.821 13.483 7.402 1.00 4.33 C ATOM 744 C ARG A 50 2.291 13.980 7.361 1.00 20.11 C ATOM 745 O ARG A 50 2.589 15.061 7.869 1.00 31.41 O ATOM 746 CB ARG A 50 0.586 12.530 8.617 1.00 41.32 C ATOM 747 CG ARG A 50 -0.891 12.444 9.077 1.00 53.10 C ATOM 748 CD ARG A 50 -1.110 11.471 10.253 1.00 45.03 C ATOM 749 NE ARG A 50 -1.047 10.057 9.836 1.00 22.40 N ATOM 750 CZ ARG A 50 -0.262 9.133 10.345 1.00 74.23 C ATOM 751 NH1 ARG A 50 0.659 9.432 11.203 1.00 45.21 N ATOM 752 NH2 ARG A 50 -0.404 7.903 9.980 1.00 65.15 N ATOM 0 H ARG A 50 0.193 11.839 6.242 1.00 63.11 H new ATOM 0 HA ARG A 50 0.196 14.367 7.525 1.00 4.33 H new ATOM 0 HB2 ARG A 50 0.932 11.531 8.353 1.00 41.32 H new ATOM 0 HB3 ARG A 50 1.197 12.868 9.454 1.00 41.32 H new ATOM 0 HG2 ARG A 50 -1.231 13.438 9.369 1.00 53.10 H new ATOM 0 HG3 ARG A 50 -1.508 12.130 8.235 1.00 53.10 H new ATOM 0 HD2 ARG A 50 -0.355 11.655 11.018 1.00 45.03 H new ATOM 0 HD3 ARG A 50 -2.080 11.669 10.708 1.00 45.03 H new ATOM 0 HE ARG A 50 -1.671 9.769 9.082 1.00 22.40 H new ATOM 0 HH11 ARG A 50 0.787 10.400 11.497 1.00 45.21 H new ATOM 0 HH12 ARG A 50 1.257 8.699 11.585 1.00 45.21 H new ATOM 0 HH21 ARG A 50 -1.122 7.652 9.300 1.00 65.15 H new ATOM 0 HH22 ARG A 50 0.202 7.182 10.371 1.00 65.15 H new ATOM 766 N ASP A 51 3.205 13.168 6.805 1.00 4.14 N ATOM 767 CA ASP A 51 4.636 13.552 6.669 1.00 4.21 C ATOM 768 C ASP A 51 4.937 14.243 5.302 1.00 71.31 C ATOM 769 O ASP A 51 5.469 15.356 5.243 1.00 2.50 O ATOM 770 CB ASP A 51 5.528 12.301 6.875 1.00 44.33 C ATOM 771 CG ASP A 51 7.029 12.638 6.932 1.00 44.13 C ATOM 772 OD1 ASP A 51 7.499 13.116 7.984 1.00 45.02 O ATOM 773 OD2 ASP A 51 7.737 12.461 5.921 1.00 1.11 O ATOM 0 H ASP A 51 2.987 12.241 6.440 1.00 4.14 H new ATOM 0 HA ASP A 51 4.865 14.288 7.440 1.00 4.21 H new ATOM 0 HB2 ASP A 51 5.237 11.802 7.800 1.00 44.33 H new ATOM 0 HB3 ASP A 51 5.350 11.596 6.063 1.00 44.33 H new ATOM 778 N VAL A 52 4.565 13.561 4.210 1.00 74.44 N ATOM 779 CA VAL A 52 5.013 13.888 2.821 1.00 40.50 C ATOM 780 C VAL A 52 3.910 14.611 1.977 1.00 21.42 C ATOM 781 O VAL A 52 4.190 15.096 0.870 1.00 73.14 O ATOM 782 CB VAL A 52 5.497 12.571 2.071 1.00 45.10 C ATOM 783 CG1 VAL A 52 6.378 12.901 0.845 1.00 2.43 C ATOM 784 CG2 VAL A 52 6.233 11.600 3.026 1.00 32.23 C ATOM 0 H VAL A 52 3.939 12.757 4.251 1.00 74.44 H new ATOM 0 HA VAL A 52 5.846 14.584 2.918 1.00 40.50 H new ATOM 0 HB VAL A 52 4.598 12.069 1.713 1.00 45.10 H new ATOM 0 HG11 VAL A 52 6.688 11.975 0.360 1.00 2.43 H new ATOM 0 HG12 VAL A 52 5.808 13.507 0.140 1.00 2.43 H new ATOM 0 HG13 VAL A 52 7.260 13.454 1.169 1.00 2.43 H new ATOM 0 HG21 VAL A 52 6.546 10.714 2.474 1.00 32.23 H new ATOM 0 HG22 VAL A 52 7.109 12.096 3.444 1.00 32.23 H new ATOM 0 HG23 VAL A 52 5.562 11.306 3.833 1.00 32.23 H new ATOM 794 N GLY A 53 2.665 14.674 2.506 1.00 12.52 N ATOM 795 CA GLY A 53 1.469 15.163 1.762 1.00 30.01 C ATOM 796 C GLY A 53 1.456 16.641 1.309 1.00 52.22 C ATOM 797 O GLY A 53 0.396 17.159 0.939 1.00 21.24 O ATOM 0 H GLY A 53 2.456 14.388 3.462 1.00 12.52 H new ATOM 0 HA2 GLY A 53 1.348 14.540 0.876 1.00 30.01 H new ATOM 0 HA3 GLY A 53 0.593 14.997 2.390 1.00 30.01 H new ATOM 801 N ASN A 54 2.622 17.314 1.349 1.00 34.32 N ATOM 802 CA ASN A 54 2.861 18.597 0.637 1.00 23.25 C ATOM 803 C ASN A 54 2.799 18.436 -0.913 1.00 24.03 C ATOM 804 O ASN A 54 2.807 19.433 -1.630 1.00 61.11 O ATOM 805 CB ASN A 54 4.238 19.181 1.054 1.00 33.33 C ATOM 806 CG ASN A 54 5.366 18.143 0.994 1.00 63.23 C ATOM 807 OD1 ASN A 54 5.990 17.930 -0.037 1.00 24.02 O ATOM 808 ND2 ASN A 54 5.623 17.478 2.103 1.00 64.43 N ATOM 0 H ASN A 54 3.431 16.987 1.876 1.00 34.32 H new ATOM 0 HA ASN A 54 2.064 19.283 0.923 1.00 23.25 H new ATOM 0 HB2 ASN A 54 4.485 20.018 0.401 1.00 33.33 H new ATOM 0 HB3 ASN A 54 4.168 19.577 2.067 1.00 33.33 H new ATOM 0 HD21 ASN A 54 6.356 16.768 2.114 1.00 64.43 H new ATOM 0 HD22 ASN A 54 5.089 17.673 2.950 1.00 64.43 H new ATOM 815 N THR A 55 2.801 17.163 -1.389 1.00 12.21 N ATOM 816 CA THR A 55 2.615 16.765 -2.818 1.00 23.32 C ATOM 817 C THR A 55 3.710 17.310 -3.748 1.00 11.24 C ATOM 818 O THR A 55 3.461 17.605 -4.922 1.00 60.21 O ATOM 819 CB THR A 55 1.173 17.092 -3.387 1.00 71.53 C ATOM 820 OG1 THR A 55 0.902 18.507 -3.401 1.00 41.43 O ATOM 821 CG2 THR A 55 0.091 16.376 -2.573 1.00 23.33 C ATOM 0 H THR A 55 2.936 16.360 -0.775 1.00 12.21 H new ATOM 0 HA THR A 55 2.711 15.679 -2.807 1.00 23.32 H new ATOM 0 HB THR A 55 1.155 16.732 -4.416 1.00 71.53 H new ATOM 0 HG1 THR A 55 1.608 18.980 -2.914 1.00 41.43 H new ATOM 0 HG21 THR A 55 -0.890 16.616 -2.982 1.00 23.33 H new ATOM 0 HG22 THR A 55 0.252 15.299 -2.622 1.00 23.33 H new ATOM 0 HG23 THR A 55 0.141 16.703 -1.534 1.00 23.33 H new ATOM 829 N ASP A 56 4.938 17.387 -3.220 1.00 73.10 N ATOM 830 CA ASP A 56 6.117 17.853 -3.977 1.00 15.22 C ATOM 831 C ASP A 56 6.813 16.659 -4.711 1.00 43.32 C ATOM 832 O ASP A 56 6.248 15.558 -4.785 1.00 4.14 O ATOM 833 CB ASP A 56 7.068 18.600 -2.998 1.00 4.33 C ATOM 834 CG ASP A 56 7.806 19.768 -3.658 1.00 72.02 C ATOM 835 OD1 ASP A 56 7.182 20.832 -3.852 1.00 1.05 O ATOM 836 OD2 ASP A 56 8.994 19.627 -4.015 1.00 65.50 O ATOM 0 H ASP A 56 5.147 17.129 -2.256 1.00 73.10 H new ATOM 0 HA ASP A 56 5.817 18.550 -4.760 1.00 15.22 H new ATOM 0 HB2 ASP A 56 6.490 18.973 -2.152 1.00 4.33 H new ATOM 0 HB3 ASP A 56 7.797 17.895 -2.599 1.00 4.33 H new ATOM 841 N MET A 57 8.029 16.892 -5.254 1.00 1.31 N ATOM 842 CA MET A 57 8.750 15.933 -6.128 1.00 13.33 C ATOM 843 C MET A 57 8.974 14.545 -5.449 1.00 0.23 C ATOM 844 O MET A 57 8.731 13.498 -6.067 1.00 43.13 O ATOM 845 CB MET A 57 10.094 16.589 -6.569 1.00 55.52 C ATOM 846 CG MET A 57 10.891 15.846 -7.662 1.00 2.41 C ATOM 847 SD MET A 57 11.810 14.416 -7.048 1.00 44.51 S ATOM 848 CE MET A 57 12.598 13.815 -8.546 1.00 22.15 C ATOM 0 H MET A 57 8.544 17.758 -5.098 1.00 1.31 H new ATOM 0 HA MET A 57 8.136 15.723 -7.004 1.00 13.33 H new ATOM 0 HB2 MET A 57 9.882 17.597 -6.926 1.00 55.52 H new ATOM 0 HB3 MET A 57 10.731 16.689 -5.690 1.00 55.52 H new ATOM 0 HG2 MET A 57 10.203 15.517 -8.441 1.00 2.41 H new ATOM 0 HG3 MET A 57 11.589 16.543 -8.127 1.00 2.41 H new ATOM 0 HE1 MET A 57 13.197 12.935 -8.314 1.00 22.15 H new ATOM 0 HE2 MET A 57 11.835 13.552 -9.278 1.00 22.15 H new ATOM 0 HE3 MET A 57 13.241 14.594 -8.956 1.00 22.15 H new ATOM 858 N LYS A 58 9.399 14.558 -4.161 1.00 54.23 N ATOM 859 CA LYS A 58 9.639 13.319 -3.367 1.00 11.35 C ATOM 860 C LYS A 58 8.333 12.504 -3.140 1.00 74.44 C ATOM 861 O LYS A 58 8.366 11.267 -3.142 1.00 35.35 O ATOM 862 CB LYS A 58 10.301 13.655 -1.996 1.00 41.33 C ATOM 863 CG LYS A 58 9.442 14.526 -1.044 1.00 5.24 C ATOM 864 CD LYS A 58 10.086 14.725 0.351 1.00 50.24 C ATOM 865 CE LYS A 58 10.192 13.419 1.164 1.00 62.33 C ATOM 866 NZ LYS A 58 10.815 13.638 2.498 1.00 41.15 N ATOM 0 H LYS A 58 9.585 15.417 -3.644 1.00 54.23 H new ATOM 0 HA LYS A 58 10.321 12.700 -3.950 1.00 11.35 H new ATOM 0 HB2 LYS A 58 10.543 12.721 -1.489 1.00 41.33 H new ATOM 0 HB3 LYS A 58 11.244 14.170 -2.182 1.00 41.33 H new ATOM 0 HG2 LYS A 58 9.278 15.501 -1.503 1.00 5.24 H new ATOM 0 HG3 LYS A 58 8.463 14.062 -0.922 1.00 5.24 H new ATOM 0 HD2 LYS A 58 11.082 15.150 0.227 1.00 50.24 H new ATOM 0 HD3 LYS A 58 9.499 15.450 0.915 1.00 50.24 H new ATOM 0 HE2 LYS A 58 9.198 12.992 1.295 1.00 62.33 H new ATOM 0 HE3 LYS A 58 10.780 12.691 0.605 1.00 62.33 H new ATOM 0 HZ1 LYS A 58 10.866 12.734 3.010 1.00 41.15 H new ATOM 0 HZ2 LYS A 58 11.774 14.021 2.375 1.00 41.15 H new ATOM 0 HZ3 LYS A 58 10.241 14.312 3.043 1.00 41.15 H new ATOM 880 N TYR A 59 7.192 13.216 -2.957 1.00 53.41 N ATOM 881 CA TYR A 59 5.862 12.592 -2.738 1.00 44.53 C ATOM 882 C TYR A 59 5.447 11.755 -3.951 1.00 44.32 C ATOM 883 O TYR A 59 5.049 10.603 -3.802 1.00 14.03 O ATOM 884 CB TYR A 59 4.795 13.686 -2.442 1.00 61.13 C ATOM 885 CG TYR A 59 3.341 13.175 -2.240 1.00 43.22 C ATOM 886 CD1 TYR A 59 2.905 12.698 -1.000 1.00 3.53 C ATOM 887 CD2 TYR A 59 2.402 13.197 -3.287 1.00 20.51 C ATOM 888 CE1 TYR A 59 1.606 12.263 -0.809 1.00 14.11 C ATOM 889 CE2 TYR A 59 1.104 12.769 -3.095 1.00 63.10 C ATOM 890 CZ TYR A 59 0.710 12.303 -1.856 1.00 33.24 C ATOM 891 OH TYR A 59 -0.588 11.888 -1.666 1.00 52.33 O ATOM 0 H TYR A 59 7.168 14.236 -2.957 1.00 53.41 H new ATOM 0 HA TYR A 59 5.932 11.929 -1.876 1.00 44.53 H new ATOM 0 HB2 TYR A 59 5.097 14.229 -1.546 1.00 61.13 H new ATOM 0 HB3 TYR A 59 4.798 14.402 -3.264 1.00 61.13 H new ATOM 0 HD1 TYR A 59 3.598 12.669 -0.172 1.00 3.53 H new ATOM 0 HD2 TYR A 59 2.703 13.556 -4.260 1.00 20.51 H new ATOM 0 HE1 TYR A 59 1.295 11.893 0.157 1.00 14.11 H new ATOM 0 HE2 TYR A 59 0.398 12.798 -3.912 1.00 63.10 H new ATOM 0 HH TYR A 59 -1.013 11.733 -2.536 1.00 52.33 H new ATOM 901 N LYS A 60 5.579 12.363 -5.144 1.00 21.20 N ATOM 902 CA LYS A 60 5.224 11.733 -6.431 1.00 32.52 C ATOM 903 C LYS A 60 5.956 10.385 -6.620 1.00 11.52 C ATOM 904 O LYS A 60 5.331 9.382 -6.949 1.00 4.52 O ATOM 905 CB LYS A 60 5.553 12.700 -7.604 1.00 1.34 C ATOM 906 CG LYS A 60 4.876 14.089 -7.513 1.00 25.23 C ATOM 907 CD LYS A 60 3.328 14.009 -7.488 1.00 55.54 C ATOM 908 CE LYS A 60 2.668 15.400 -7.494 1.00 41.13 C ATOM 909 NZ LYS A 60 3.041 16.189 -8.700 1.00 4.43 N ATOM 0 H LYS A 60 5.938 13.313 -5.244 1.00 21.20 H new ATOM 0 HA LYS A 60 4.153 11.529 -6.426 1.00 32.52 H new ATOM 0 HB2 LYS A 60 6.633 12.841 -7.648 1.00 1.34 H new ATOM 0 HB3 LYS A 60 5.255 12.227 -8.540 1.00 1.34 H new ATOM 0 HG2 LYS A 60 5.222 14.597 -6.613 1.00 25.23 H new ATOM 0 HG3 LYS A 60 5.189 14.696 -8.363 1.00 25.23 H new ATOM 0 HD2 LYS A 60 2.982 13.442 -8.352 1.00 55.54 H new ATOM 0 HD3 LYS A 60 3.009 13.463 -6.600 1.00 55.54 H new ATOM 0 HE2 LYS A 60 1.585 15.287 -7.455 1.00 41.13 H new ATOM 0 HE3 LYS A 60 2.964 15.946 -6.598 1.00 41.13 H new ATOM 0 HZ1 LYS A 60 2.416 17.016 -8.780 1.00 4.43 H new ATOM 0 HZ2 LYS A 60 4.028 16.507 -8.615 1.00 4.43 H new ATOM 0 HZ3 LYS A 60 2.940 15.595 -9.548 1.00 4.43 H new ATOM 923 N ASN A 61 7.278 10.383 -6.361 1.00 10.34 N ATOM 924 CA ASN A 61 8.132 9.172 -6.461 1.00 64.15 C ATOM 925 C ASN A 61 7.675 8.070 -5.475 1.00 43.13 C ATOM 926 O ASN A 61 7.547 6.906 -5.857 1.00 71.21 O ATOM 927 CB ASN A 61 9.605 9.530 -6.145 1.00 1.42 C ATOM 928 CG ASN A 61 10.183 10.655 -7.010 1.00 24.21 C ATOM 929 OD1 ASN A 61 9.902 10.767 -8.194 1.00 44.20 O ATOM 930 ND2 ASN A 61 10.989 11.507 -6.419 1.00 70.43 N ATOM 0 H ASN A 61 7.789 11.219 -6.076 1.00 10.34 H new ATOM 0 HA ASN A 61 8.041 8.797 -7.480 1.00 64.15 H new ATOM 0 HB2 ASN A 61 9.679 9.820 -5.097 1.00 1.42 H new ATOM 0 HB3 ASN A 61 10.218 8.638 -6.273 1.00 1.42 H new ATOM 0 HD21 ASN A 61 11.393 12.279 -6.949 1.00 70.43 H new ATOM 0 HD22 ASN A 61 11.211 11.397 -5.430 1.00 70.43 H new ATOM 937 N ARG A 62 7.449 8.471 -4.203 1.00 34.41 N ATOM 938 CA ARG A 62 7.017 7.559 -3.117 1.00 23.22 C ATOM 939 C ARG A 62 5.659 6.895 -3.420 1.00 51.24 C ATOM 940 O ARG A 62 5.460 5.723 -3.095 1.00 13.13 O ATOM 941 CB ARG A 62 6.964 8.312 -1.749 1.00 72.02 C ATOM 942 CG ARG A 62 8.340 8.669 -1.119 1.00 61.14 C ATOM 943 CD ARG A 62 9.100 7.440 -0.555 1.00 14.14 C ATOM 944 NE ARG A 62 9.557 6.501 -1.601 1.00 55.51 N ATOM 945 CZ ARG A 62 9.801 5.215 -1.427 1.00 31.35 C ATOM 946 NH1 ARG A 62 9.646 4.638 -0.276 1.00 72.35 N ATOM 947 NH2 ARG A 62 10.198 4.505 -2.428 1.00 23.24 N ATOM 0 H ARG A 62 7.561 9.438 -3.899 1.00 34.41 H new ATOM 0 HA ARG A 62 7.760 6.764 -3.053 1.00 23.22 H new ATOM 0 HB2 ARG A 62 6.398 9.233 -1.885 1.00 72.02 H new ATOM 0 HB3 ARG A 62 6.409 7.698 -1.039 1.00 72.02 H new ATOM 0 HG2 ARG A 62 8.960 9.155 -1.872 1.00 61.14 H new ATOM 0 HG3 ARG A 62 8.187 9.391 -0.317 1.00 61.14 H new ATOM 0 HD2 ARG A 62 9.963 7.786 0.014 1.00 14.14 H new ATOM 0 HD3 ARG A 62 8.451 6.909 0.141 1.00 14.14 H new ATOM 0 HE ARG A 62 9.696 6.879 -2.538 1.00 55.51 H new ATOM 0 HH11 ARG A 62 9.327 5.180 0.527 1.00 72.35 H new ATOM 0 HH12 ARG A 62 9.843 3.642 -0.174 1.00 72.35 H new ATOM 0 HH21 ARG A 62 10.321 4.938 -3.343 1.00 23.24 H new ATOM 0 HH22 ARG A 62 10.389 3.511 -2.304 1.00 23.24 H new ATOM 961 N VAL A 63 4.742 7.654 -4.048 1.00 31.34 N ATOM 962 CA VAL A 63 3.423 7.136 -4.475 1.00 32.33 C ATOM 963 C VAL A 63 3.573 6.124 -5.638 1.00 3.45 C ATOM 964 O VAL A 63 2.993 5.042 -5.571 1.00 32.44 O ATOM 965 CB VAL A 63 2.432 8.304 -4.865 1.00 11.12 C ATOM 966 CG1 VAL A 63 1.083 7.764 -5.402 1.00 54.50 C ATOM 967 CG2 VAL A 63 2.190 9.242 -3.657 1.00 42.31 C ATOM 0 H VAL A 63 4.890 8.638 -4.274 1.00 31.34 H new ATOM 0 HA VAL A 63 2.989 6.613 -3.623 1.00 32.33 H new ATOM 0 HB VAL A 63 2.904 8.872 -5.667 1.00 11.12 H new ATOM 0 HG11 VAL A 63 0.432 8.600 -5.658 1.00 54.50 H new ATOM 0 HG12 VAL A 63 1.261 7.158 -6.290 1.00 54.50 H new ATOM 0 HG13 VAL A 63 0.605 7.153 -4.636 1.00 54.50 H new ATOM 0 HG21 VAL A 63 1.505 10.039 -3.947 1.00 42.31 H new ATOM 0 HG22 VAL A 63 1.757 8.672 -2.835 1.00 42.31 H new ATOM 0 HG23 VAL A 63 3.138 9.676 -3.338 1.00 42.31 H new ATOM 977 N ARG A 64 4.384 6.461 -6.675 1.00 20.23 N ATOM 978 CA ARG A 64 4.620 5.554 -7.841 1.00 0.30 C ATOM 979 C ARG A 64 5.274 4.216 -7.402 1.00 14.12 C ATOM 980 O ARG A 64 4.910 3.139 -7.896 1.00 64.03 O ATOM 981 CB ARG A 64 5.501 6.234 -8.938 1.00 63.12 C ATOM 982 CG ARG A 64 4.947 7.576 -9.486 1.00 71.25 C ATOM 983 CD ARG A 64 5.427 7.912 -10.914 1.00 14.12 C ATOM 984 NE ARG A 64 6.890 8.075 -11.007 1.00 32.30 N ATOM 985 CZ ARG A 64 7.565 8.213 -12.134 1.00 62.32 C ATOM 986 NH1 ARG A 64 6.982 8.153 -13.290 1.00 1.24 N ATOM 987 NH2 ARG A 64 8.834 8.410 -12.094 1.00 33.12 N ATOM 0 H ARG A 64 4.885 7.348 -6.732 1.00 20.23 H new ATOM 0 HA ARG A 64 3.640 5.341 -8.268 1.00 0.30 H new ATOM 0 HB2 ARG A 64 6.495 6.410 -8.527 1.00 63.12 H new ATOM 0 HB3 ARG A 64 5.618 5.540 -9.770 1.00 63.12 H new ATOM 0 HG2 ARG A 64 3.858 7.539 -9.478 1.00 71.25 H new ATOM 0 HG3 ARG A 64 5.243 8.382 -8.814 1.00 71.25 H new ATOM 0 HD2 ARG A 64 5.111 7.120 -11.593 1.00 14.12 H new ATOM 0 HD3 ARG A 64 4.943 8.830 -11.248 1.00 14.12 H new ATOM 0 HE ARG A 64 7.420 8.082 -10.136 1.00 32.30 H new ATOM 0 HH11 ARG A 64 5.976 7.996 -13.346 1.00 1.24 H new ATOM 0 HH12 ARG A 64 7.529 8.263 -14.144 1.00 1.24 H new ATOM 0 HH21 ARG A 64 9.314 8.459 -11.196 1.00 33.12 H new ATOM 0 HH22 ARG A 64 9.361 8.517 -12.961 1.00 33.12 H new ATOM 1001 N SER A 65 6.234 4.314 -6.461 1.00 24.13 N ATOM 1002 CA SER A 65 6.904 3.141 -5.851 1.00 50.22 C ATOM 1003 C SER A 65 5.924 2.333 -4.975 1.00 12.00 C ATOM 1004 O SER A 65 6.002 1.111 -4.924 1.00 4.00 O ATOM 1005 CB SER A 65 8.123 3.590 -5.004 1.00 31.12 C ATOM 1006 OG SER A 65 8.842 2.484 -4.456 1.00 73.40 O ATOM 0 H SER A 65 6.569 5.207 -6.100 1.00 24.13 H new ATOM 0 HA SER A 65 7.251 2.499 -6.660 1.00 50.22 H new ATOM 0 HB2 SER A 65 8.794 4.185 -5.624 1.00 31.12 H new ATOM 0 HB3 SER A 65 7.782 4.235 -4.194 1.00 31.12 H new ATOM 0 HG SER A 65 9.788 2.723 -4.363 1.00 73.40 H new ATOM 1012 N ARG A 66 5.003 3.034 -4.281 1.00 22.33 N ATOM 1013 CA ARG A 66 3.990 2.390 -3.417 1.00 20.51 C ATOM 1014 C ARG A 66 3.006 1.540 -4.256 1.00 22.15 C ATOM 1015 O ARG A 66 2.699 0.409 -3.882 1.00 33.42 O ATOM 1016 CB ARG A 66 3.240 3.451 -2.559 1.00 0.23 C ATOM 1017 CG ARG A 66 2.221 2.907 -1.516 1.00 55.41 C ATOM 1018 CD ARG A 66 2.837 1.959 -0.456 1.00 22.33 C ATOM 1019 NE ARG A 66 3.111 0.612 -1.004 1.00 41.52 N ATOM 1020 CZ ARG A 66 4.056 -0.206 -0.606 1.00 71.34 C ATOM 1021 NH1 ARG A 66 4.885 0.133 0.323 1.00 75.11 N ATOM 1022 NH2 ARG A 66 4.171 -1.370 -1.162 1.00 62.53 N ATOM 0 H ARG A 66 4.940 4.052 -4.302 1.00 22.33 H new ATOM 0 HA ARG A 66 4.504 1.715 -2.733 1.00 20.51 H new ATOM 0 HB2 ARG A 66 3.982 4.049 -2.031 1.00 0.23 H new ATOM 0 HB3 ARG A 66 2.711 4.123 -3.234 1.00 0.23 H new ATOM 0 HG2 ARG A 66 1.756 3.751 -1.006 1.00 55.41 H new ATOM 0 HG3 ARG A 66 1.428 2.377 -2.043 1.00 55.41 H new ATOM 0 HD2 ARG A 66 3.764 2.391 -0.079 1.00 22.33 H new ATOM 0 HD3 ARG A 66 2.157 1.873 0.392 1.00 22.33 H new ATOM 0 HE ARG A 66 2.509 0.290 -1.762 1.00 41.52 H new ATOM 0 HH11 ARG A 66 4.812 1.051 0.761 1.00 75.11 H new ATOM 0 HH12 ARG A 66 5.613 -0.517 0.619 1.00 75.11 H new ATOM 0 HH21 ARG A 66 3.529 -1.646 -1.905 1.00 62.53 H new ATOM 0 HH22 ARG A 66 4.904 -2.011 -0.857 1.00 62.53 H new ATOM 1036 N ILE A 67 2.556 2.091 -5.402 1.00 3.55 N ATOM 1037 CA ILE A 67 1.680 1.374 -6.367 1.00 4.50 C ATOM 1038 C ILE A 67 2.360 0.078 -6.860 1.00 21.24 C ATOM 1039 O ILE A 67 1.817 -1.015 -6.690 1.00 32.04 O ATOM 1040 CB ILE A 67 1.357 2.258 -7.635 1.00 53.44 C ATOM 1041 CG1 ILE A 67 0.725 3.624 -7.243 1.00 73.43 C ATOM 1042 CG2 ILE A 67 0.436 1.503 -8.637 1.00 2.14 C ATOM 1043 CD1 ILE A 67 0.742 4.641 -8.373 1.00 34.13 C ATOM 0 H ILE A 67 2.786 3.042 -5.689 1.00 3.55 H new ATOM 0 HA ILE A 67 0.755 1.147 -5.836 1.00 4.50 H new ATOM 0 HB ILE A 67 2.308 2.458 -8.128 1.00 53.44 H new ATOM 0 HG12 ILE A 67 -0.305 3.462 -6.925 1.00 73.43 H new ATOM 0 HG13 ILE A 67 1.262 4.033 -6.387 1.00 73.43 H new ATOM 0 HG21 ILE A 67 0.234 2.141 -9.497 1.00 2.14 H new ATOM 0 HG22 ILE A 67 0.931 0.591 -8.970 1.00 2.14 H new ATOM 0 HG23 ILE A 67 -0.503 1.248 -8.146 1.00 2.14 H new ATOM 0 HD11 ILE A 67 0.286 5.571 -8.032 1.00 34.13 H new ATOM 0 HD12 ILE A 67 1.772 4.831 -8.676 1.00 34.13 H new ATOM 0 HD13 ILE A 67 0.180 4.251 -9.222 1.00 34.13 H new ATOM 1055 N SER A 68 3.569 0.242 -7.446 1.00 13.42 N ATOM 1056 CA SER A 68 4.340 -0.853 -8.085 1.00 3.21 C ATOM 1057 C SER A 68 4.644 -2.000 -7.104 1.00 55.11 C ATOM 1058 O SER A 68 4.511 -3.166 -7.461 1.00 41.35 O ATOM 1059 CB SER A 68 5.661 -0.305 -8.682 1.00 65.31 C ATOM 1060 OG SER A 68 6.501 0.247 -7.679 1.00 71.15 O ATOM 0 H SER A 68 4.042 1.145 -7.490 1.00 13.42 H new ATOM 0 HA SER A 68 3.719 -1.259 -8.884 1.00 3.21 H new ATOM 0 HB2 SER A 68 6.188 -1.108 -9.197 1.00 65.31 H new ATOM 0 HB3 SER A 68 5.435 0.457 -9.428 1.00 65.31 H new ATOM 0 HG SER A 68 5.962 0.489 -6.897 1.00 71.15 H new ATOM 1066 N ASN A 69 5.035 -1.643 -5.869 1.00 52.44 N ATOM 1067 CA ASN A 69 5.369 -2.624 -4.810 1.00 44.31 C ATOM 1068 C ASN A 69 4.109 -3.290 -4.199 1.00 74.03 C ATOM 1069 O ASN A 69 4.189 -4.416 -3.714 1.00 10.42 O ATOM 1070 CB ASN A 69 6.245 -1.968 -3.713 1.00 50.15 C ATOM 1071 CG ASN A 69 7.607 -1.462 -4.227 1.00 21.11 C ATOM 1072 OD1 ASN A 69 8.201 -2.146 -5.195 1.00 0.32 O flip ATOM 1073 ND2 ASN A 69 8.137 -0.470 -3.738 1.00 62.44 N flip ATOM 0 H ASN A 69 5.130 -0.672 -5.573 1.00 52.44 H new ATOM 0 HA ASN A 69 5.944 -3.422 -5.281 1.00 44.31 H new ATOM 0 HB2 ASN A 69 5.699 -1.132 -3.276 1.00 50.15 H new ATOM 0 HB3 ASN A 69 6.414 -2.691 -2.915 1.00 50.15 H new ATOM 0 HD21 ASN A 69 7.667 0.045 -2.994 1.00 62.44 H new ATOM 0 HD22 ASN A 69 9.048 -0.160 -4.075 1.00 62.44 H new ATOM 1080 N LEU A 70 2.946 -2.600 -4.224 1.00 24.11 N ATOM 1081 CA LEU A 70 1.650 -3.235 -3.857 1.00 11.25 C ATOM 1082 C LEU A 70 1.285 -4.322 -4.901 1.00 21.41 C ATOM 1083 O LEU A 70 1.273 -5.508 -4.583 1.00 44.12 O ATOM 1084 CB LEU A 70 0.509 -2.180 -3.732 1.00 0.55 C ATOM 1085 CG LEU A 70 0.509 -1.289 -2.445 1.00 42.32 C ATOM 1086 CD1 LEU A 70 -0.544 -0.155 -2.536 1.00 45.43 C ATOM 1087 CD2 LEU A 70 0.298 -2.144 -1.176 1.00 73.22 C ATOM 0 H LEU A 70 2.873 -1.618 -4.490 1.00 24.11 H new ATOM 0 HA LEU A 70 1.763 -3.703 -2.879 1.00 11.25 H new ATOM 0 HB2 LEU A 70 0.558 -1.523 -4.600 1.00 0.55 H new ATOM 0 HB3 LEU A 70 -0.445 -2.704 -3.782 1.00 0.55 H new ATOM 0 HG LEU A 70 1.490 -0.819 -2.374 1.00 42.32 H new ATOM 0 HD11 LEU A 70 -0.515 0.443 -1.625 1.00 45.43 H new ATOM 0 HD12 LEU A 70 -0.322 0.480 -3.394 1.00 45.43 H new ATOM 0 HD13 LEU A 70 -1.537 -0.589 -2.654 1.00 45.43 H new ATOM 0 HD21 LEU A 70 0.303 -1.499 -0.298 1.00 73.22 H new ATOM 0 HD22 LEU A 70 -0.659 -2.662 -1.241 1.00 73.22 H new ATOM 0 HD23 LEU A 70 1.101 -2.876 -1.093 1.00 73.22 H new ATOM 1099 N LYS A 71 1.084 -3.902 -6.166 1.00 61.44 N ATOM 1100 CA LYS A 71 0.718 -4.810 -7.296 1.00 33.54 C ATOM 1101 C LYS A 71 1.923 -5.657 -7.827 1.00 30.00 C ATOM 1102 O LYS A 71 1.832 -6.246 -8.914 1.00 50.33 O ATOM 1103 CB LYS A 71 0.081 -3.992 -8.459 1.00 21.23 C ATOM 1104 CG LYS A 71 1.016 -2.947 -9.122 1.00 11.43 C ATOM 1105 CD LYS A 71 0.415 -2.309 -10.401 1.00 23.10 C ATOM 1106 CE LYS A 71 -0.950 -1.642 -10.161 1.00 71.32 C ATOM 1107 NZ LYS A 71 -1.484 -1.019 -11.399 1.00 54.44 N ATOM 0 H LYS A 71 1.169 -2.924 -6.444 1.00 61.44 H new ATOM 0 HA LYS A 71 -0.009 -5.520 -6.900 1.00 33.54 H new ATOM 0 HB2 LYS A 71 -0.262 -4.687 -9.225 1.00 21.23 H new ATOM 0 HB3 LYS A 71 -0.801 -3.477 -8.079 1.00 21.23 H new ATOM 0 HG2 LYS A 71 1.238 -2.160 -8.402 1.00 11.43 H new ATOM 0 HG3 LYS A 71 1.963 -3.425 -9.373 1.00 11.43 H new ATOM 0 HD2 LYS A 71 1.111 -1.567 -10.791 1.00 23.10 H new ATOM 0 HD3 LYS A 71 0.307 -3.078 -11.166 1.00 23.10 H new ATOM 0 HE2 LYS A 71 -1.658 -2.385 -9.793 1.00 71.32 H new ATOM 0 HE3 LYS A 71 -0.852 -0.883 -9.385 1.00 71.32 H new ATOM 0 HZ1 LYS A 71 -2.405 -0.580 -11.197 1.00 54.44 H new ATOM 0 HZ2 LYS A 71 -0.820 -0.293 -11.736 1.00 54.44 H new ATOM 0 HZ3 LYS A 71 -1.601 -1.748 -12.132 1.00 54.44 H new ATOM 1121 N ASP A 72 3.022 -5.739 -7.045 1.00 53.21 N ATOM 1122 CA ASP A 72 4.275 -6.417 -7.439 1.00 21.15 C ATOM 1123 C ASP A 72 4.086 -7.945 -7.633 1.00 13.13 C ATOM 1124 O ASP A 72 3.422 -8.617 -6.829 1.00 63.15 O ATOM 1125 CB ASP A 72 5.360 -6.133 -6.368 1.00 64.31 C ATOM 1126 CG ASP A 72 6.751 -6.647 -6.752 1.00 41.31 C ATOM 1127 OD1 ASP A 72 7.319 -6.165 -7.756 1.00 4.23 O ATOM 1128 OD2 ASP A 72 7.289 -7.526 -6.057 1.00 62.22 O ATOM 0 H ASP A 72 3.063 -5.331 -6.111 1.00 53.21 H new ATOM 0 HA ASP A 72 4.588 -6.019 -8.404 1.00 21.15 H new ATOM 0 HB2 ASP A 72 5.414 -5.058 -6.194 1.00 64.31 H new ATOM 0 HB3 ASP A 72 5.059 -6.593 -5.427 1.00 64.31 H new ATOM 1133 N ALA A 73 4.673 -8.464 -8.724 1.00 61.15 N ATOM 1134 CA ALA A 73 4.611 -9.897 -9.087 1.00 21.10 C ATOM 1135 C ALA A 73 5.653 -10.733 -8.315 1.00 53.43 C ATOM 1136 O ALA A 73 5.433 -11.919 -8.046 1.00 51.25 O ATOM 1137 CB ALA A 73 4.824 -10.052 -10.602 1.00 3.40 C ATOM 0 H ALA A 73 5.208 -7.901 -9.385 1.00 61.15 H new ATOM 0 HA ALA A 73 3.626 -10.272 -8.811 1.00 21.10 H new ATOM 0 HB1 ALA A 73 4.778 -11.108 -10.870 1.00 3.40 H new ATOM 0 HB2 ALA A 73 4.045 -9.508 -11.136 1.00 3.40 H new ATOM 0 HB3 ALA A 73 5.800 -9.650 -10.875 1.00 3.40 H new ATOM 1143 N LYS A 74 6.791 -10.101 -7.966 1.00 50.11 N ATOM 1144 CA LYS A 74 7.925 -10.789 -7.311 1.00 40.33 C ATOM 1145 C LYS A 74 7.624 -11.086 -5.818 1.00 61.52 C ATOM 1146 O LYS A 74 8.158 -12.041 -5.240 1.00 22.22 O ATOM 1147 CB LYS A 74 9.218 -9.937 -7.470 1.00 30.24 C ATOM 1148 CG LYS A 74 10.527 -10.674 -7.105 1.00 34.52 C ATOM 1149 CD LYS A 74 10.712 -11.962 -7.942 1.00 43.10 C ATOM 1150 CE LYS A 74 12.015 -12.699 -7.628 1.00 21.35 C ATOM 1151 NZ LYS A 74 12.092 -13.992 -8.353 1.00 45.13 N ATOM 0 H LYS A 74 6.951 -9.107 -8.128 1.00 50.11 H new ATOM 0 HA LYS A 74 8.077 -11.751 -7.800 1.00 40.33 H new ATOM 0 HB2 LYS A 74 9.286 -9.594 -8.502 1.00 30.24 H new ATOM 0 HB3 LYS A 74 9.131 -9.049 -6.844 1.00 30.24 H new ATOM 0 HG2 LYS A 74 11.376 -10.010 -7.267 1.00 34.52 H new ATOM 0 HG3 LYS A 74 10.518 -10.927 -6.045 1.00 34.52 H new ATOM 0 HD2 LYS A 74 9.870 -12.630 -7.760 1.00 43.10 H new ATOM 0 HD3 LYS A 74 10.692 -11.706 -9.001 1.00 43.10 H new ATOM 0 HE2 LYS A 74 12.864 -12.074 -7.904 1.00 21.35 H new ATOM 0 HE3 LYS A 74 12.085 -12.877 -6.555 1.00 21.35 H new ATOM 0 HZ1 LYS A 74 12.987 -14.468 -8.120 1.00 45.13 H new ATOM 0 HZ2 LYS A 74 11.294 -14.596 -8.071 1.00 45.13 H new ATOM 0 HZ3 LYS A 74 12.049 -13.819 -9.378 1.00 45.13 H new ATOM 1165 N ASN A 75 6.759 -10.257 -5.213 1.00 4.44 N ATOM 1166 CA ASN A 75 6.231 -10.473 -3.854 1.00 31.34 C ATOM 1167 C ASN A 75 4.695 -10.181 -3.849 1.00 61.43 C ATOM 1168 O ASN A 75 4.269 -9.050 -3.572 1.00 63.11 O ATOM 1169 CB ASN A 75 6.989 -9.577 -2.828 1.00 61.32 C ATOM 1170 CG ASN A 75 6.778 -9.990 -1.364 1.00 55.22 C ATOM 1171 OD1 ASN A 75 5.788 -10.618 -0.999 1.00 73.43 O ATOM 1172 ND2 ASN A 75 7.697 -9.610 -0.501 1.00 73.23 N ATOM 0 H ASN A 75 6.402 -9.410 -5.656 1.00 4.44 H new ATOM 0 HA ASN A 75 6.388 -11.510 -3.556 1.00 31.34 H new ATOM 0 HB2 ASN A 75 8.055 -9.606 -3.053 1.00 61.32 H new ATOM 0 HB3 ASN A 75 6.665 -8.544 -2.954 1.00 61.32 H new ATOM 0 HD21 ASN A 75 7.593 -9.837 0.488 1.00 73.23 H new ATOM 0 HD22 ASN A 75 8.513 -9.089 -0.821 1.00 73.23 H new ATOM 1179 N PRO A 76 3.839 -11.195 -4.218 1.00 2.35 N ATOM 1180 CA PRO A 76 2.356 -11.076 -4.113 1.00 50.20 C ATOM 1181 C PRO A 76 1.885 -11.108 -2.637 1.00 15.50 C ATOM 1182 O PRO A 76 0.837 -10.545 -2.290 1.00 70.23 O ATOM 1183 CB PRO A 76 1.847 -12.309 -4.911 1.00 65.14 C ATOM 1184 CG PRO A 76 2.951 -13.318 -4.781 1.00 43.43 C ATOM 1185 CD PRO A 76 4.241 -12.520 -4.769 1.00 1.22 C ATOM 0 HA PRO A 76 1.973 -10.133 -4.502 1.00 50.20 H new ATOM 0 HB2 PRO A 76 0.911 -12.689 -4.501 1.00 65.14 H new ATOM 0 HB3 PRO A 76 1.659 -12.057 -5.955 1.00 65.14 H new ATOM 0 HG2 PRO A 76 2.843 -13.900 -3.866 1.00 43.43 H new ATOM 0 HG3 PRO A 76 2.936 -14.024 -5.612 1.00 43.43 H new ATOM 0 HD2 PRO A 76 5.000 -12.997 -4.149 1.00 1.22 H new ATOM 0 HD3 PRO A 76 4.661 -12.425 -5.770 1.00 1.22 H new ATOM 1193 N ASP A 77 2.704 -11.752 -1.772 1.00 73.23 N ATOM 1194 CA ASP A 77 2.445 -11.880 -0.325 1.00 30.32 C ATOM 1195 C ASP A 77 2.517 -10.523 0.409 1.00 51.11 C ATOM 1196 O ASP A 77 1.968 -10.386 1.498 1.00 3.04 O ATOM 1197 CB ASP A 77 3.442 -12.878 0.303 1.00 42.14 C ATOM 1198 CG ASP A 77 3.334 -14.270 -0.328 1.00 73.14 C ATOM 1199 OD1 ASP A 77 2.452 -15.057 0.096 1.00 4.41 O ATOM 1200 OD2 ASP A 77 4.103 -14.571 -1.266 1.00 34.13 O ATOM 0 H ASP A 77 3.571 -12.201 -2.066 1.00 73.23 H new ATOM 0 HA ASP A 77 1.428 -12.254 -0.209 1.00 30.32 H new ATOM 0 HB2 ASP A 77 4.458 -12.502 0.180 1.00 42.14 H new ATOM 0 HB3 ASP A 77 3.256 -12.950 1.375 1.00 42.14 H new ATOM 1205 N LEU A 78 3.189 -9.535 -0.206 1.00 32.03 N ATOM 1206 CA LEU A 78 3.357 -8.187 0.381 1.00 33.34 C ATOM 1207 C LEU A 78 2.000 -7.459 0.559 1.00 5.12 C ATOM 1208 O LEU A 78 1.642 -7.076 1.679 1.00 1.21 O ATOM 1209 CB LEU A 78 4.312 -7.344 -0.504 1.00 34.23 C ATOM 1210 CG LEU A 78 4.696 -5.935 0.047 1.00 1.50 C ATOM 1211 CD1 LEU A 78 5.384 -6.043 1.432 1.00 41.11 C ATOM 1212 CD2 LEU A 78 5.579 -5.179 -0.969 1.00 34.32 C ATOM 0 H LEU A 78 3.630 -9.643 -1.119 1.00 32.03 H new ATOM 0 HA LEU A 78 3.792 -8.306 1.374 1.00 33.34 H new ATOM 0 HB2 LEU A 78 5.229 -7.913 -0.658 1.00 34.23 H new ATOM 0 HB3 LEU A 78 3.849 -7.215 -1.482 1.00 34.23 H new ATOM 0 HG LEU A 78 3.780 -5.361 0.187 1.00 1.50 H new ATOM 0 HD11 LEU A 78 5.640 -5.046 1.790 1.00 41.11 H new ATOM 0 HD12 LEU A 78 4.705 -6.519 2.139 1.00 41.11 H new ATOM 0 HD13 LEU A 78 6.292 -6.640 1.342 1.00 41.11 H new ATOM 0 HD21 LEU A 78 5.837 -4.199 -0.568 1.00 34.32 H new ATOM 0 HD22 LEU A 78 6.491 -5.748 -1.153 1.00 34.32 H new ATOM 0 HD23 LEU A 78 5.033 -5.056 -1.905 1.00 34.32 H new ATOM 1224 N ARG A 79 1.235 -7.312 -0.547 1.00 11.33 N ATOM 1225 CA ARG A 79 -0.119 -6.704 -0.502 1.00 23.25 C ATOM 1226 C ARG A 79 -1.121 -7.659 0.180 1.00 21.11 C ATOM 1227 O ARG A 79 -2.035 -7.209 0.851 1.00 1.13 O ATOM 1228 CB ARG A 79 -0.628 -6.317 -1.918 1.00 22.14 C ATOM 1229 CG ARG A 79 -0.822 -7.502 -2.893 1.00 13.12 C ATOM 1230 CD ARG A 79 -1.403 -7.066 -4.251 1.00 65.11 C ATOM 1231 NE ARG A 79 -1.490 -8.179 -5.197 1.00 4.34 N ATOM 1232 CZ ARG A 79 -0.548 -8.575 -6.025 1.00 63.43 C ATOM 1233 NH1 ARG A 79 0.652 -8.075 -5.999 1.00 10.21 N ATOM 1234 NH2 ARG A 79 -0.825 -9.503 -6.872 1.00 44.33 N ATOM 0 H ARG A 79 1.529 -7.604 -1.479 1.00 11.33 H new ATOM 0 HA ARG A 79 -0.043 -5.789 0.085 1.00 23.25 H new ATOM 0 HB2 ARG A 79 -1.578 -5.793 -1.815 1.00 22.14 H new ATOM 0 HB3 ARG A 79 0.078 -5.614 -2.361 1.00 22.14 H new ATOM 0 HG2 ARG A 79 0.137 -7.995 -3.054 1.00 13.12 H new ATOM 0 HG3 ARG A 79 -1.486 -8.237 -2.438 1.00 13.12 H new ATOM 0 HD2 ARG A 79 -2.395 -6.641 -4.100 1.00 65.11 H new ATOM 0 HD3 ARG A 79 -0.780 -6.279 -4.675 1.00 65.11 H new ATOM 0 HE ARG A 79 -2.367 -8.699 -5.216 1.00 4.34 H new ATOM 0 HH11 ARG A 79 0.888 -7.351 -5.321 1.00 10.21 H new ATOM 0 HH12 ARG A 79 1.357 -8.407 -6.657 1.00 10.21 H new ATOM 0 HH21 ARG A 79 -1.758 -9.914 -6.891 1.00 44.33 H new ATOM 0 HH22 ARG A 79 -0.111 -9.827 -7.525 1.00 44.33 H new ATOM 1248 N ARG A 80 -0.908 -8.979 -0.003 1.00 45.05 N ATOM 1249 CA ARG A 80 -1.710 -10.056 0.625 1.00 3.33 C ATOM 1250 C ARG A 80 -1.718 -9.939 2.173 1.00 55.15 C ATOM 1251 O ARG A 80 -2.745 -10.159 2.813 1.00 12.32 O ATOM 1252 CB ARG A 80 -1.123 -11.418 0.176 1.00 53.15 C ATOM 1253 CG ARG A 80 -1.797 -12.689 0.740 1.00 33.21 C ATOM 1254 CD ARG A 80 -1.075 -13.970 0.274 1.00 72.33 C ATOM 1255 NE ARG A 80 -1.704 -15.197 0.778 1.00 12.55 N ATOM 1256 CZ ARG A 80 -1.223 -16.413 0.614 1.00 53.13 C ATOM 1257 NH1 ARG A 80 -0.074 -16.625 0.046 1.00 24.34 N ATOM 1258 NH2 ARG A 80 -1.890 -17.426 1.039 1.00 22.24 N ATOM 0 H ARG A 80 -0.162 -9.335 -0.601 1.00 45.05 H new ATOM 0 HA ARG A 80 -2.748 -9.969 0.303 1.00 3.33 H new ATOM 0 HB2 ARG A 80 -1.168 -11.465 -0.912 1.00 53.15 H new ATOM 0 HB3 ARG A 80 -0.069 -11.441 0.453 1.00 53.15 H new ATOM 0 HG2 ARG A 80 -1.799 -12.648 1.829 1.00 33.21 H new ATOM 0 HG3 ARG A 80 -2.839 -12.721 0.421 1.00 33.21 H new ATOM 0 HD2 ARG A 80 -1.060 -13.997 -0.816 1.00 72.33 H new ATOM 0 HD3 ARG A 80 -0.037 -13.937 0.606 1.00 72.33 H new ATOM 0 HE ARG A 80 -2.579 -15.101 1.294 1.00 12.55 H new ATOM 0 HH11 ARG A 80 0.483 -15.838 -0.288 1.00 24.34 H new ATOM 0 HH12 ARG A 80 0.271 -17.578 -0.066 1.00 24.34 H new ATOM 0 HH21 ARG A 80 -2.789 -17.287 1.501 1.00 22.24 H new ATOM 0 HH22 ARG A 80 -1.521 -18.369 0.914 1.00 22.24 H new ATOM 1272 N ASN A 81 -0.555 -9.564 2.744 1.00 33.42 N ATOM 1273 CA ASN A 81 -0.389 -9.340 4.198 1.00 34.03 C ATOM 1274 C ASN A 81 -1.052 -8.024 4.668 1.00 12.44 C ATOM 1275 O ASN A 81 -1.506 -7.936 5.807 1.00 32.15 O ATOM 1276 CB ASN A 81 1.113 -9.361 4.580 1.00 3.13 C ATOM 1277 CG ASN A 81 1.731 -10.765 4.534 1.00 13.44 C ATOM 1278 OD1 ASN A 81 1.057 -11.761 4.767 1.00 40.14 O ATOM 1279 ND2 ASN A 81 3.015 -10.857 4.237 1.00 3.22 N ATOM 0 H ASN A 81 0.299 -9.407 2.209 1.00 33.42 H new ATOM 0 HA ASN A 81 -0.898 -10.156 4.711 1.00 34.03 H new ATOM 0 HB2 ASN A 81 1.662 -8.707 3.902 1.00 3.13 H new ATOM 0 HB3 ASN A 81 1.231 -8.952 5.583 1.00 3.13 H new ATOM 0 HD21 ASN A 81 3.465 -11.771 4.198 1.00 3.22 H new ATOM 0 HD22 ASN A 81 3.556 -10.014 4.047 1.00 3.22 H new ATOM 1286 N VAL A 82 -1.090 -7.003 3.796 1.00 62.53 N ATOM 1287 CA VAL A 82 -1.793 -5.726 4.100 1.00 22.41 C ATOM 1288 C VAL A 82 -3.335 -5.935 4.084 1.00 34.14 C ATOM 1289 O VAL A 82 -4.064 -5.407 4.932 1.00 43.21 O ATOM 1290 CB VAL A 82 -1.381 -4.585 3.085 1.00 61.51 C ATOM 1291 CG1 VAL A 82 -2.062 -3.231 3.424 1.00 74.15 C ATOM 1292 CG2 VAL A 82 0.158 -4.436 3.026 1.00 34.51 C ATOM 0 H VAL A 82 -0.648 -7.027 2.877 1.00 62.53 H new ATOM 0 HA VAL A 82 -1.492 -5.410 5.099 1.00 22.41 H new ATOM 0 HB VAL A 82 -1.736 -4.881 2.098 1.00 61.51 H new ATOM 0 HG11 VAL A 82 -1.751 -2.476 2.702 1.00 74.15 H new ATOM 0 HG12 VAL A 82 -3.145 -3.348 3.383 1.00 74.15 H new ATOM 0 HG13 VAL A 82 -1.769 -2.917 4.426 1.00 74.15 H new ATOM 0 HG21 VAL A 82 0.420 -3.646 2.322 1.00 34.51 H new ATOM 0 HG22 VAL A 82 0.537 -4.181 4.016 1.00 34.51 H new ATOM 0 HG23 VAL A 82 0.602 -5.376 2.699 1.00 34.51 H new ATOM 1302 N LEU A 83 -3.794 -6.754 3.119 1.00 43.11 N ATOM 1303 CA LEU A 83 -5.223 -7.083 2.916 1.00 4.43 C ATOM 1304 C LEU A 83 -5.744 -8.088 3.980 1.00 21.05 C ATOM 1305 O LEU A 83 -6.907 -8.028 4.364 1.00 22.13 O ATOM 1306 CB LEU A 83 -5.429 -7.644 1.479 1.00 63.11 C ATOM 1307 CG LEU A 83 -5.085 -6.666 0.297 1.00 63.11 C ATOM 1308 CD1 LEU A 83 -5.047 -7.402 -1.065 1.00 32.14 C ATOM 1309 CD2 LEU A 83 -6.060 -5.465 0.255 1.00 41.32 C ATOM 0 H LEU A 83 -3.177 -7.213 2.449 1.00 43.11 H new ATOM 0 HA LEU A 83 -5.803 -6.168 3.034 1.00 4.43 H new ATOM 0 HB2 LEU A 83 -4.819 -8.541 1.370 1.00 63.11 H new ATOM 0 HB3 LEU A 83 -6.470 -7.952 1.377 1.00 63.11 H new ATOM 0 HG LEU A 83 -4.085 -6.276 0.485 1.00 63.11 H new ATOM 0 HD11 LEU A 83 -4.806 -6.692 -1.856 1.00 32.14 H new ATOM 0 HD12 LEU A 83 -4.288 -8.183 -1.035 1.00 32.14 H new ATOM 0 HD13 LEU A 83 -6.021 -7.850 -1.264 1.00 32.14 H new ATOM 0 HD21 LEU A 83 -5.794 -4.809 -0.574 1.00 41.32 H new ATOM 0 HD22 LEU A 83 -7.079 -5.828 0.118 1.00 41.32 H new ATOM 0 HD23 LEU A 83 -5.995 -4.911 1.191 1.00 41.32 H new ATOM 1321 N CYS A 84 -4.882 -9.021 4.446 1.00 62.13 N ATOM 1322 CA CYS A 84 -5.250 -9.986 5.526 1.00 11.14 C ATOM 1323 C CYS A 84 -5.105 -9.341 6.927 1.00 11.03 C ATOM 1324 O CYS A 84 -5.656 -9.851 7.912 1.00 14.54 O ATOM 1325 CB CYS A 84 -4.371 -11.256 5.466 1.00 45.10 C ATOM 1326 SG CYS A 84 -2.651 -10.982 5.938 1.00 44.53 S ATOM 0 H CYS A 84 -3.930 -9.132 4.098 1.00 62.13 H new ATOM 0 HA CYS A 84 -6.292 -10.262 5.362 1.00 11.14 H new ATOM 0 HB2 CYS A 84 -4.800 -12.014 6.121 1.00 45.10 H new ATOM 0 HB3 CYS A 84 -4.399 -11.657 4.453 1.00 45.10 H new ATOM 0 HG CYS A 84 -1.995 -12.102 5.858 1.00 44.53 H new ATOM 1332 N GLY A 85 -4.361 -8.215 6.998 1.00 34.00 N ATOM 1333 CA GLY A 85 -4.180 -7.456 8.247 1.00 51.25 C ATOM 1334 C GLY A 85 -2.939 -7.853 9.062 1.00 24.33 C ATOM 1335 O GLY A 85 -2.838 -7.489 10.235 1.00 11.44 O ATOM 0 H GLY A 85 -3.875 -7.813 6.197 1.00 34.00 H new ATOM 0 HA2 GLY A 85 -4.116 -6.395 8.006 1.00 51.25 H new ATOM 0 HA3 GLY A 85 -5.065 -7.589 8.869 1.00 51.25 H new ATOM 1339 N ALA A 86 -1.999 -8.602 8.449 1.00 71.42 N ATOM 1340 CA ALA A 86 -0.691 -8.929 9.074 1.00 14.13 C ATOM 1341 C ALA A 86 0.191 -7.654 9.204 1.00 34.12 C ATOM 1342 O ALA A 86 0.654 -7.320 10.297 1.00 32.21 O ATOM 1343 CB ALA A 86 0.031 -10.023 8.267 1.00 74.30 C ATOM 0 H ALA A 86 -2.119 -8.996 7.516 1.00 71.42 H new ATOM 0 HA ALA A 86 -0.873 -9.312 10.078 1.00 14.13 H new ATOM 0 HB1 ALA A 86 0.987 -10.251 8.738 1.00 74.30 H new ATOM 0 HB2 ALA A 86 -0.584 -10.922 8.241 1.00 74.30 H new ATOM 0 HB3 ALA A 86 0.202 -9.671 7.250 1.00 74.30 H new ATOM 1349 N ILE A 87 0.415 -6.960 8.069 1.00 51.23 N ATOM 1350 CA ILE A 87 1.031 -5.607 8.043 1.00 32.25 C ATOM 1351 C ILE A 87 -0.100 -4.550 7.957 1.00 74.10 C ATOM 1352 O ILE A 87 -1.003 -4.667 7.123 1.00 21.31 O ATOM 1353 CB ILE A 87 2.057 -5.421 6.835 1.00 51.44 C ATOM 1354 CG1 ILE A 87 3.389 -6.234 7.058 1.00 4.12 C ATOM 1355 CG2 ILE A 87 2.393 -3.924 6.576 1.00 4.01 C ATOM 1356 CD1 ILE A 87 3.265 -7.747 6.988 1.00 23.23 C ATOM 0 H ILE A 87 0.176 -7.317 7.144 1.00 51.23 H new ATOM 0 HA ILE A 87 1.608 -5.478 8.959 1.00 32.25 H new ATOM 0 HB ILE A 87 1.554 -5.818 5.954 1.00 51.44 H new ATOM 0 HG12 ILE A 87 4.116 -5.914 6.312 1.00 4.12 H new ATOM 0 HG13 ILE A 87 3.795 -5.967 8.034 1.00 4.12 H new ATOM 0 HG21 ILE A 87 3.095 -3.847 5.745 1.00 4.01 H new ATOM 0 HG22 ILE A 87 1.479 -3.383 6.330 1.00 4.01 H new ATOM 0 HG23 ILE A 87 2.841 -3.492 7.471 1.00 4.01 H new ATOM 0 HD11 ILE A 87 4.242 -8.200 7.156 1.00 23.23 H new ATOM 0 HD12 ILE A 87 2.569 -8.091 7.753 1.00 23.23 H new ATOM 0 HD13 ILE A 87 2.895 -8.037 6.005 1.00 23.23 H new ATOM 1368 N THR A 88 -0.044 -3.524 8.828 1.00 31.32 N ATOM 1369 CA THR A 88 -1.065 -2.448 8.861 1.00 61.51 C ATOM 1370 C THR A 88 -0.803 -1.396 7.746 1.00 71.43 C ATOM 1371 O THR A 88 0.356 -1.177 7.366 1.00 44.44 O ATOM 1372 CB THR A 88 -1.108 -1.727 10.255 1.00 32.12 C ATOM 1373 OG1 THR A 88 0.086 -0.963 10.453 1.00 62.52 O ATOM 1374 CG2 THR A 88 -1.262 -2.728 11.414 1.00 64.23 C ATOM 0 H THR A 88 0.697 -3.414 9.521 1.00 31.32 H new ATOM 0 HA THR A 88 -2.030 -2.925 8.688 1.00 61.51 H new ATOM 0 HB THR A 88 -1.977 -1.070 10.251 1.00 32.12 H new ATOM 0 HG1 THR A 88 0.055 -0.529 11.331 1.00 62.52 H new ATOM 0 HG21 THR A 88 -1.287 -2.188 12.360 1.00 64.23 H new ATOM 0 HG22 THR A 88 -2.189 -3.288 11.291 1.00 64.23 H new ATOM 0 HG23 THR A 88 -0.419 -3.418 11.413 1.00 64.23 H new ATOM 1382 N PRO A 89 -1.884 -0.757 7.178 1.00 2.14 N ATOM 1383 CA PRO A 89 -1.764 0.320 6.150 1.00 5.41 C ATOM 1384 C PRO A 89 -0.768 1.475 6.488 1.00 25.42 C ATOM 1385 O PRO A 89 -0.100 2.004 5.587 1.00 45.03 O ATOM 1386 CB PRO A 89 -3.208 0.851 6.048 1.00 24.40 C ATOM 1387 CG PRO A 89 -4.066 -0.338 6.344 1.00 23.53 C ATOM 1388 CD PRO A 89 -3.326 -1.087 7.435 1.00 41.13 C ATOM 0 HA PRO A 89 -1.346 -0.080 5.226 1.00 5.41 H new ATOM 0 HB2 PRO A 89 -3.386 1.656 6.761 1.00 24.40 H new ATOM 0 HB3 PRO A 89 -3.414 1.252 5.056 1.00 24.40 H new ATOM 0 HG2 PRO A 89 -5.060 -0.036 6.675 1.00 23.53 H new ATOM 0 HG3 PRO A 89 -4.200 -0.959 5.459 1.00 23.53 H new ATOM 0 HD2 PRO A 89 -3.640 -0.763 8.427 1.00 41.13 H new ATOM 0 HD3 PRO A 89 -3.508 -2.160 7.378 1.00 41.13 H new ATOM 1396 N GLN A 90 -0.680 1.863 7.780 1.00 30.42 N ATOM 1397 CA GLN A 90 0.282 2.900 8.238 1.00 61.12 C ATOM 1398 C GLN A 90 1.750 2.409 8.119 1.00 52.41 C ATOM 1399 O GLN A 90 2.648 3.197 7.797 1.00 32.24 O ATOM 1400 CB GLN A 90 -0.045 3.353 9.703 1.00 43.13 C ATOM 1401 CG GLN A 90 0.030 2.238 10.795 1.00 54.11 C ATOM 1402 CD GLN A 90 1.287 2.246 11.699 1.00 43.52 C ATOM 1403 OE1 GLN A 90 2.416 2.747 11.217 1.00 20.22 O flip ATOM 1404 NE2 GLN A 90 1.233 1.806 12.838 1.00 34.55 N flip ATOM 0 H GLN A 90 -1.260 1.477 8.525 1.00 30.42 H new ATOM 0 HA GLN A 90 0.175 3.764 7.583 1.00 61.12 H new ATOM 0 HB2 GLN A 90 0.644 4.151 9.978 1.00 43.13 H new ATOM 0 HB3 GLN A 90 -1.048 3.780 9.715 1.00 43.13 H new ATOM 0 HG2 GLN A 90 -0.850 2.324 11.432 1.00 54.11 H new ATOM 0 HG3 GLN A 90 -0.029 1.269 10.299 1.00 54.11 H new ATOM 0 HE21 GLN A 90 0.358 1.423 13.196 1.00 34.55 H new ATOM 0 HE22 GLN A 90 2.063 1.821 13.431 1.00 34.55 H new ATOM 1413 N GLN A 91 1.984 1.106 8.400 1.00 11.30 N ATOM 1414 CA GLN A 91 3.326 0.489 8.301 1.00 60.33 C ATOM 1415 C GLN A 91 3.806 0.429 6.840 1.00 51.11 C ATOM 1416 O GLN A 91 4.850 0.974 6.520 1.00 22.15 O ATOM 1417 CB GLN A 91 3.333 -0.933 8.916 1.00 24.41 C ATOM 1418 CG GLN A 91 3.165 -0.974 10.448 1.00 1.05 C ATOM 1419 CD GLN A 91 3.053 -2.393 11.025 1.00 65.53 C ATOM 1420 OE1 GLN A 91 2.372 -2.624 12.021 1.00 64.21 O ATOM 1421 NE2 GLN A 91 3.752 -3.350 10.437 1.00 50.22 N ATOM 0 H GLN A 91 1.255 0.459 8.699 1.00 11.30 H new ATOM 0 HA GLN A 91 4.013 1.118 8.867 1.00 60.33 H new ATOM 0 HB2 GLN A 91 2.532 -1.515 8.461 1.00 24.41 H new ATOM 0 HB3 GLN A 91 4.271 -1.423 8.654 1.00 24.41 H new ATOM 0 HG2 GLN A 91 4.014 -0.471 10.910 1.00 1.05 H new ATOM 0 HG3 GLN A 91 2.273 -0.410 10.721 1.00 1.05 H new ATOM 0 HE21 GLN A 91 4.312 -3.139 9.611 1.00 50.22 H new ATOM 0 HE22 GLN A 91 3.731 -4.299 10.810 1.00 50.22 H new ATOM 1430 N ILE A 92 3.008 -0.211 5.959 1.00 23.04 N ATOM 1431 CA ILE A 92 3.375 -0.413 4.531 1.00 52.30 C ATOM 1432 C ILE A 92 3.639 0.942 3.792 1.00 10.21 C ATOM 1433 O ILE A 92 4.440 1.008 2.853 1.00 24.42 O ATOM 1434 CB ILE A 92 2.276 -1.275 3.790 1.00 41.24 C ATOM 1435 CG1 ILE A 92 2.751 -1.738 2.374 1.00 64.11 C ATOM 1436 CG2 ILE A 92 0.930 -0.526 3.706 1.00 12.33 C ATOM 1437 CD1 ILE A 92 3.968 -2.657 2.379 1.00 24.53 C ATOM 0 H ILE A 92 2.099 -0.601 6.209 1.00 23.04 H new ATOM 0 HA ILE A 92 4.314 -0.967 4.508 1.00 52.30 H new ATOM 0 HB ILE A 92 2.122 -2.172 4.390 1.00 41.24 H new ATOM 0 HG12 ILE A 92 1.927 -2.252 1.879 1.00 64.11 H new ATOM 0 HG13 ILE A 92 2.981 -0.856 1.777 1.00 64.11 H new ATOM 0 HG21 ILE A 92 0.199 -1.149 3.191 1.00 12.33 H new ATOM 0 HG22 ILE A 92 0.573 -0.305 4.712 1.00 12.33 H new ATOM 0 HG23 ILE A 92 1.066 0.405 3.156 1.00 12.33 H new ATOM 0 HD11 ILE A 92 4.225 -2.926 1.354 1.00 24.53 H new ATOM 0 HD12 ILE A 92 4.811 -2.142 2.841 1.00 24.53 H new ATOM 0 HD13 ILE A 92 3.740 -3.560 2.945 1.00 24.53 H new ATOM 1449 N ALA A 93 2.990 2.024 4.270 1.00 33.32 N ATOM 1450 CA ALA A 93 3.207 3.396 3.762 1.00 25.42 C ATOM 1451 C ALA A 93 4.605 3.963 4.157 1.00 12.42 C ATOM 1452 O ALA A 93 5.227 4.683 3.366 1.00 10.44 O ATOM 1453 CB ALA A 93 2.084 4.319 4.264 1.00 40.34 C ATOM 0 H ALA A 93 2.300 1.972 5.020 1.00 33.32 H new ATOM 0 HA ALA A 93 3.184 3.353 2.673 1.00 25.42 H new ATOM 0 HB1 ALA A 93 2.247 5.329 3.888 1.00 40.34 H new ATOM 0 HB2 ALA A 93 1.123 3.950 3.907 1.00 40.34 H new ATOM 0 HB3 ALA A 93 2.085 4.333 5.354 1.00 40.34 H new ATOM 1459 N VAL A 94 5.094 3.630 5.376 1.00 20.42 N ATOM 1460 CA VAL A 94 6.425 4.096 5.874 1.00 64.14 C ATOM 1461 C VAL A 94 7.556 3.051 5.633 1.00 61.35 C ATOM 1462 O VAL A 94 8.726 3.334 5.918 1.00 65.25 O ATOM 1463 CB VAL A 94 6.381 4.487 7.411 1.00 52.42 C ATOM 1464 CG1 VAL A 94 5.334 5.596 7.674 1.00 52.34 C ATOM 1465 CG2 VAL A 94 6.132 3.255 8.323 1.00 71.30 C ATOM 0 H VAL A 94 4.591 3.040 6.038 1.00 20.42 H new ATOM 0 HA VAL A 94 6.658 4.987 5.291 1.00 64.14 H new ATOM 0 HB VAL A 94 7.365 4.880 7.668 1.00 52.42 H new ATOM 0 HG11 VAL A 94 5.325 5.844 8.735 1.00 52.34 H new ATOM 0 HG12 VAL A 94 5.591 6.484 7.096 1.00 52.34 H new ATOM 0 HG13 VAL A 94 4.347 5.242 7.376 1.00 52.34 H new ATOM 0 HG21 VAL A 94 6.110 3.573 9.365 1.00 71.30 H new ATOM 0 HG22 VAL A 94 5.178 2.797 8.063 1.00 71.30 H new ATOM 0 HG23 VAL A 94 6.933 2.530 8.181 1.00 71.30 H new ATOM 1475 N MET A 95 7.205 1.845 5.117 1.00 52.21 N ATOM 1476 CA MET A 95 8.198 0.775 4.819 1.00 32.51 C ATOM 1477 C MET A 95 9.009 1.079 3.532 1.00 12.22 C ATOM 1478 O MET A 95 8.436 1.335 2.465 1.00 25.21 O ATOM 1479 CB MET A 95 7.511 -0.623 4.701 1.00 62.41 C ATOM 1480 CG MET A 95 7.040 -1.219 6.037 1.00 14.25 C ATOM 1481 SD MET A 95 6.108 -2.758 5.843 1.00 73.04 S ATOM 1482 CE MET A 95 7.355 -3.887 5.218 1.00 71.12 C ATOM 0 H MET A 95 6.243 1.587 4.898 1.00 52.21 H new ATOM 0 HA MET A 95 8.893 0.752 5.659 1.00 32.51 H new ATOM 0 HB2 MET A 95 6.653 -0.537 4.034 1.00 62.41 H new ATOM 0 HB3 MET A 95 8.209 -1.318 4.234 1.00 62.41 H new ATOM 0 HG2 MET A 95 7.907 -1.405 6.670 1.00 14.25 H new ATOM 0 HG3 MET A 95 6.418 -0.488 6.554 1.00 14.25 H new ATOM 0 HE1 MET A 95 6.894 -4.848 4.990 1.00 71.12 H new ATOM 0 HE2 MET A 95 7.799 -3.474 4.313 1.00 71.12 H new ATOM 0 HE3 MET A 95 8.130 -4.026 5.971 1.00 71.12 H new ATOM 1492 N THR A 96 10.348 1.027 3.667 1.00 21.31 N ATOM 1493 CA THR A 96 11.313 1.151 2.547 1.00 25.32 C ATOM 1494 C THR A 96 11.221 -0.085 1.607 1.00 0.11 C ATOM 1495 O THR A 96 10.719 -1.144 2.011 1.00 30.31 O ATOM 1496 CB THR A 96 12.778 1.286 3.131 1.00 32.03 C ATOM 1497 OG1 THR A 96 12.854 2.423 4.005 1.00 25.14 O ATOM 1498 CG2 THR A 96 13.870 1.437 2.057 1.00 41.31 C ATOM 0 H THR A 96 10.802 0.896 4.571 1.00 21.31 H new ATOM 0 HA THR A 96 11.071 2.040 1.964 1.00 25.32 H new ATOM 0 HB THR A 96 12.967 0.353 3.662 1.00 32.03 H new ATOM 0 HG1 THR A 96 13.763 2.499 4.364 1.00 25.14 H new ATOM 0 HG21 THR A 96 14.844 1.524 2.538 1.00 41.31 H new ATOM 0 HG22 THR A 96 13.863 0.563 1.406 1.00 41.31 H new ATOM 0 HG23 THR A 96 13.677 2.332 1.465 1.00 41.31 H new ATOM 1506 N SER A 97 11.701 0.067 0.354 1.00 75.14 N ATOM 1507 CA SER A 97 11.814 -1.039 -0.629 1.00 21.54 C ATOM 1508 C SER A 97 12.585 -2.248 -0.043 1.00 23.44 C ATOM 1509 O SER A 97 12.194 -3.389 -0.263 1.00 54.34 O ATOM 1510 CB SER A 97 12.515 -0.538 -1.911 1.00 24.42 C ATOM 1511 OG SER A 97 13.808 -0.032 -1.618 1.00 15.45 O ATOM 0 H SER A 97 12.023 0.964 -0.009 1.00 75.14 H new ATOM 0 HA SER A 97 10.805 -1.372 -0.872 1.00 21.54 H new ATOM 0 HB2 SER A 97 12.594 -1.354 -2.629 1.00 24.42 H new ATOM 0 HB3 SER A 97 11.913 0.241 -2.378 1.00 24.42 H new ATOM 0 HG SER A 97 14.233 0.278 -2.445 1.00 15.45 H new ATOM 1517 N GLU A 98 13.667 -1.963 0.726 1.00 25.33 N ATOM 1518 CA GLU A 98 14.459 -3.000 1.431 1.00 73.22 C ATOM 1519 C GLU A 98 13.623 -3.736 2.508 1.00 42.13 C ATOM 1520 O GLU A 98 13.749 -4.940 2.657 1.00 33.22 O ATOM 1521 CB GLU A 98 15.715 -2.380 2.099 1.00 23.13 C ATOM 1522 CG GLU A 98 16.664 -3.425 2.741 1.00 73.52 C ATOM 1523 CD GLU A 98 17.699 -2.806 3.692 1.00 22.44 C ATOM 1524 OE1 GLU A 98 18.717 -2.267 3.213 1.00 72.11 O ATOM 1525 OE2 GLU A 98 17.486 -2.838 4.923 1.00 34.03 O ATOM 0 H GLU A 98 14.012 -1.014 0.873 1.00 25.33 H new ATOM 0 HA GLU A 98 14.766 -3.724 0.676 1.00 73.22 H new ATOM 0 HB2 GLU A 98 16.269 -1.811 1.352 1.00 23.13 H new ATOM 0 HB3 GLU A 98 15.396 -1.674 2.866 1.00 23.13 H new ATOM 0 HG2 GLU A 98 16.070 -4.156 3.289 1.00 73.52 H new ATOM 0 HG3 GLU A 98 17.185 -3.965 1.951 1.00 73.52 H new ATOM 1532 N GLU A 99 12.780 -2.995 3.260 1.00 2.45 N ATOM 1533 CA GLU A 99 11.877 -3.583 4.294 1.00 30.40 C ATOM 1534 C GLU A 99 10.905 -4.618 3.663 1.00 1.32 C ATOM 1535 O GLU A 99 10.626 -5.673 4.238 1.00 11.41 O ATOM 1536 CB GLU A 99 11.058 -2.459 4.998 1.00 34.04 C ATOM 1537 CG GLU A 99 11.898 -1.351 5.668 1.00 63.43 C ATOM 1538 CD GLU A 99 12.717 -1.832 6.879 1.00 23.01 C ATOM 1539 OE1 GLU A 99 12.158 -1.896 7.990 1.00 1.11 O ATOM 1540 OE2 GLU A 99 13.924 -2.130 6.732 1.00 24.13 O ATOM 0 H GLU A 99 12.701 -1.982 3.175 1.00 2.45 H new ATOM 0 HA GLU A 99 12.498 -4.093 5.030 1.00 30.40 H new ATOM 0 HB2 GLU A 99 10.399 -1.998 4.263 1.00 34.04 H new ATOM 0 HB3 GLU A 99 10.421 -2.916 5.755 1.00 34.04 H new ATOM 0 HG2 GLU A 99 12.577 -0.927 4.928 1.00 63.43 H new ATOM 0 HG3 GLU A 99 11.233 -0.548 5.988 1.00 63.43 H new ATOM 1547 N MET A 100 10.414 -4.276 2.461 1.00 23.53 N ATOM 1548 CA MET A 100 9.460 -5.098 1.682 1.00 10.35 C ATOM 1549 C MET A 100 10.159 -6.232 0.875 1.00 73.10 C ATOM 1550 O MET A 100 9.536 -7.250 0.546 1.00 15.11 O ATOM 1551 CB MET A 100 8.664 -4.161 0.742 1.00 53.32 C ATOM 1552 CG MET A 100 7.806 -3.119 1.483 1.00 31.32 C ATOM 1553 SD MET A 100 6.826 -2.085 0.373 1.00 31.11 S ATOM 1554 CE MET A 100 8.087 -1.102 -0.424 1.00 50.52 C ATOM 0 H MET A 100 10.670 -3.407 1.991 1.00 23.53 H new ATOM 0 HA MET A 100 8.788 -5.600 2.378 1.00 10.35 H new ATOM 0 HB2 MET A 100 9.362 -3.642 0.085 1.00 53.32 H new ATOM 0 HB3 MET A 100 8.017 -4.765 0.106 1.00 53.32 H new ATOM 0 HG2 MET A 100 7.138 -3.633 2.174 1.00 31.32 H new ATOM 0 HG3 MET A 100 8.457 -2.482 2.082 1.00 31.32 H new ATOM 0 HE1 MET A 100 7.638 -0.197 -0.834 1.00 50.52 H new ATOM 0 HE2 MET A 100 8.851 -0.830 0.304 1.00 50.52 H new ATOM 0 HE3 MET A 100 8.543 -1.678 -1.229 1.00 50.52 H new