USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=19 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 69 ASN : amide:sc= -0.561 X(o=-1.3,f=-1.5) USER MOD Set 1.2: A 100 MET CE :methyl 177:sc= -0.719 (180deg=-0.773) USER MOD Set 2.1: A 88 THR OG1 : rot 100:sc= 0.39 USER MOD Set 2.2: A 90 GLN : amide:sc= -0.1 X(o=0.68,f=0.23) USER MOD Set 2.3: A 91 GLN : amide:sc= 0.388 K(o=0.68,f=0.17) USER MOD Set 3.1: A 30 HIS : no HE2:sc= -1.63 X(o=-2.5,f=-2.9) USER MOD Set 3.2: A 37 CYS SG : rot 130:sc= -0.902 USER MOD Set 4.1: A 21 THR OG1 : rot -27:sc= 0.934 USER MOD Set 4.2: A 41 SER OG : rot -37:sc= 0.888 USER MOD Single : A 14 ASN : amide:sc= 0.842 K(o=0.84,f=-3.9!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 79:sc= -0.38 USER MOD Single : A 19 MET CE :methyl -172:sc= -1.68 (180deg=-1.76) USER MOD Single : A 25 GLN : amide:sc= -0.217 K(o=-0.22,f=-0.78) 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) USER MOD Single : A 43 GLN : amide:sc= -0.437 K(o=-0.44,f=-1.3) USER MOD Single : A 47 CYS SG : rot 74:sc= -0.355 USER MOD Single : A 54 ASN : amide:sc= -0.0213 K(o=-0.021,f=-2.1!) USER MOD Single : A 55 THR OG1 : rot -21:sc= 0.703 USER MOD Single : A 57 MET CE :methyl 160:sc= -0.117 (180deg=-0.63) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 71:sc= -0.0325 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.185 K(o=-0.19,f=-3!) USER MOD Single : A 65 SER OG : rot 76:sc= 0.0141 USER MOD Single : A 68 SER OG : rot 180:sc= 0 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= 0.316 X(o=0.32,f=0) USER MOD Single : A 81 ASN : amide:sc= -0.696 X(o=-0.7,f=-0.21) USER MOD Single : A 84 CYS SG : rot -24:sc= 0.23 USER MOD Single : A 95 MET CE :methyl -167:sc= -2.19 (180deg=-2.4!) USER MOD Single : A 96 THR OG1 : rot -58:sc= 0.215 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 146 N ALA A 11 -7.169 17.121 -5.603 1.00 61.00 N ATOM 147 CA ALA A 11 -7.315 16.074 -6.630 1.00 53.13 C ATOM 148 C ALA A 11 -6.063 15.164 -6.706 1.00 31.02 C ATOM 149 O ALA A 11 -6.176 13.999 -7.060 1.00 45.33 O ATOM 150 CB ALA A 11 -7.607 16.720 -7.992 1.00 2.02 C ATOM 0 HA ALA A 11 -8.154 15.437 -6.350 1.00 53.13 H new ATOM 0 HB1 ALA A 11 -7.714 15.942 -8.748 1.00 2.02 H new ATOM 0 HB2 ALA A 11 -8.530 17.296 -7.931 1.00 2.02 H new ATOM 0 HB3 ALA A 11 -6.784 17.381 -8.265 1.00 2.02 H new ATOM 156 N VAL A 12 -4.881 15.722 -6.352 1.00 53.34 N ATOM 157 CA VAL A 12 -3.607 14.956 -6.269 1.00 54.41 C ATOM 158 C VAL A 12 -3.694 13.835 -5.198 1.00 41.02 C ATOM 159 O VAL A 12 -3.477 12.665 -5.504 1.00 34.33 O ATOM 160 CB VAL A 12 -2.379 15.895 -5.941 1.00 63.11 C ATOM 161 CG1 VAL A 12 -1.037 15.114 -5.932 1.00 73.22 C ATOM 162 CG2 VAL A 12 -2.319 17.089 -6.916 1.00 64.00 C ATOM 0 H VAL A 12 -4.780 16.709 -6.117 1.00 53.34 H new ATOM 0 HA VAL A 12 -3.450 14.506 -7.249 1.00 54.41 H new ATOM 0 HB VAL A 12 -2.531 16.285 -4.935 1.00 63.11 H new ATOM 0 HG11 VAL A 12 -0.220 15.798 -5.702 1.00 73.22 H new ATOM 0 HG12 VAL A 12 -1.077 14.330 -5.176 1.00 73.22 H new ATOM 0 HG13 VAL A 12 -0.870 14.665 -6.911 1.00 73.22 H new ATOM 0 HG21 VAL A 12 -1.465 17.719 -6.668 1.00 64.00 H new ATOM 0 HG22 VAL A 12 -2.214 16.721 -7.936 1.00 64.00 H new ATOM 0 HG23 VAL A 12 -3.236 17.672 -6.834 1.00 64.00 H new ATOM 172 N ARG A 13 -4.035 14.224 -3.946 1.00 75.31 N ATOM 173 CA ARG A 13 -4.116 13.290 -2.791 1.00 21.01 C ATOM 174 C ARG A 13 -5.206 12.214 -3.017 1.00 30.41 C ATOM 175 O ARG A 13 -4.989 11.035 -2.732 1.00 70.34 O ATOM 176 CB ARG A 13 -4.366 14.099 -1.472 1.00 70.30 C ATOM 177 CG ARG A 13 -4.397 13.265 -0.144 1.00 45.42 C ATOM 178 CD ARG A 13 -5.802 12.758 0.261 1.00 0.15 C ATOM 179 NE ARG A 13 -5.752 11.892 1.456 1.00 20.23 N ATOM 180 CZ ARG A 13 -6.698 11.772 2.361 1.00 1.32 C ATOM 181 NH1 ARG A 13 -7.829 12.372 2.236 1.00 52.03 N ATOM 182 NH2 ARG A 13 -6.518 10.997 3.376 1.00 3.43 N ATOM 0 H ARG A 13 -4.261 15.189 -3.706 1.00 75.31 H new ATOM 0 HA ARG A 13 -3.167 12.763 -2.696 1.00 21.01 H new ATOM 0 HB2 ARG A 13 -3.588 14.857 -1.382 1.00 70.30 H new ATOM 0 HB3 ARG A 13 -5.315 14.626 -1.568 1.00 70.30 H new ATOM 0 HG2 ARG A 13 -3.732 12.408 -0.252 1.00 45.42 H new ATOM 0 HG3 ARG A 13 -3.998 13.878 0.665 1.00 45.42 H new ATOM 0 HD2 ARG A 13 -6.453 13.610 0.457 1.00 0.15 H new ATOM 0 HD3 ARG A 13 -6.242 12.206 -0.569 1.00 0.15 H new ATOM 0 HE ARG A 13 -4.907 11.337 1.592 1.00 20.23 H new ATOM 0 HH11 ARG A 13 -8.008 12.957 1.420 1.00 52.03 H new ATOM 0 HH12 ARG A 13 -8.546 12.262 2.953 1.00 52.03 H new ATOM 0 HH21 ARG A 13 -5.644 10.480 3.474 1.00 3.43 H new ATOM 0 HH22 ARG A 13 -7.249 10.901 4.080 1.00 3.43 H new ATOM 196 N ASN A 14 -6.373 12.645 -3.534 1.00 43.34 N ATOM 197 CA ASN A 14 -7.512 11.743 -3.817 1.00 4.12 C ATOM 198 C ASN A 14 -7.153 10.720 -4.926 1.00 20.43 C ATOM 199 O ASN A 14 -7.478 9.533 -4.816 1.00 62.21 O ATOM 200 CB ASN A 14 -8.752 12.575 -4.230 1.00 14.35 C ATOM 201 CG ASN A 14 -10.026 11.735 -4.399 1.00 74.20 C ATOM 202 OD1 ASN A 14 -10.221 10.727 -3.729 1.00 51.50 O ATOM 203 ND2 ASN A 14 -10.901 12.140 -5.293 1.00 61.22 N ATOM 0 H ASN A 14 -6.555 13.621 -3.767 1.00 43.34 H new ATOM 0 HA ASN A 14 -7.742 11.184 -2.910 1.00 4.12 H new ATOM 0 HB2 ASN A 14 -8.931 13.344 -3.478 1.00 14.35 H new ATOM 0 HB3 ASN A 14 -8.539 13.089 -5.167 1.00 14.35 H new ATOM 0 HD21 ASN A 14 -11.762 11.613 -5.440 1.00 61.22 H new ATOM 0 HD22 ASN A 14 -10.719 12.982 -5.840 1.00 61.22 H new ATOM 210 N LYS A 15 -6.477 11.208 -5.987 1.00 71.33 N ATOM 211 CA LYS A 15 -6.015 10.365 -7.112 1.00 22.54 C ATOM 212 C LYS A 15 -4.999 9.307 -6.639 1.00 53.14 C ATOM 213 O LYS A 15 -5.114 8.141 -6.993 1.00 15.31 O ATOM 214 CB LYS A 15 -5.384 11.244 -8.236 1.00 33.22 C ATOM 215 CG LYS A 15 -4.895 10.477 -9.496 1.00 25.24 C ATOM 216 CD LYS A 15 -6.020 9.681 -10.202 1.00 32.25 C ATOM 217 CE LYS A 15 -7.150 10.577 -10.741 1.00 43.32 C ATOM 218 NZ LYS A 15 -8.264 9.779 -11.318 1.00 42.34 N ATOM 0 H LYS A 15 -6.236 12.194 -6.089 1.00 71.33 H new ATOM 0 HA LYS A 15 -6.886 9.847 -7.514 1.00 22.54 H new ATOM 0 HB2 LYS A 15 -6.119 11.986 -8.547 1.00 33.22 H new ATOM 0 HB3 LYS A 15 -4.540 11.789 -7.815 1.00 33.22 H new ATOM 0 HG2 LYS A 15 -4.464 11.188 -10.201 1.00 25.24 H new ATOM 0 HG3 LYS A 15 -4.099 9.790 -9.209 1.00 25.24 H new ATOM 0 HD2 LYS A 15 -5.591 9.112 -11.027 1.00 32.25 H new ATOM 0 HD3 LYS A 15 -6.440 8.959 -9.502 1.00 32.25 H new ATOM 0 HE2 LYS A 15 -7.532 11.204 -9.935 1.00 43.32 H new ATOM 0 HE3 LYS A 15 -6.750 11.246 -11.503 1.00 43.32 H new ATOM 0 HZ1 LYS A 15 -9.004 10.420 -11.670 1.00 42.34 H new ATOM 0 HZ2 LYS A 15 -7.905 9.200 -12.104 1.00 42.34 H new ATOM 0 HZ3 LYS A 15 -8.663 9.159 -10.585 1.00 42.34 H new ATOM 232 N CYS A 16 -4.022 9.746 -5.829 1.00 70.52 N ATOM 233 CA CYS A 16 -2.977 8.874 -5.243 1.00 22.41 C ATOM 234 C CYS A 16 -3.592 7.734 -4.405 1.00 73.44 C ATOM 235 O CYS A 16 -3.216 6.567 -4.550 1.00 65.32 O ATOM 236 CB CYS A 16 -2.021 9.720 -4.377 1.00 32.21 C ATOM 237 SG CYS A 16 -1.099 10.972 -5.306 1.00 64.43 S ATOM 0 H CYS A 16 -3.930 10.725 -5.557 1.00 70.52 H new ATOM 0 HA CYS A 16 -2.419 8.416 -6.060 1.00 22.41 H new ATOM 0 HB2 CYS A 16 -2.597 10.214 -3.595 1.00 32.21 H new ATOM 0 HB3 CYS A 16 -1.313 9.056 -3.881 1.00 32.21 H new ATOM 0 HG CYS A 16 -1.864 11.999 -5.527 1.00 64.43 H new ATOM 243 N ARG A 17 -4.560 8.109 -3.559 1.00 20.31 N ATOM 244 CA ARG A 17 -5.336 7.187 -2.702 1.00 1.15 C ATOM 245 C ARG A 17 -6.063 6.101 -3.547 1.00 1.11 C ATOM 246 O ARG A 17 -6.015 4.904 -3.232 1.00 54.40 O ATOM 247 CB ARG A 17 -6.339 8.050 -1.861 1.00 12.10 C ATOM 248 CG ARG A 17 -7.135 7.320 -0.740 1.00 22.22 C ATOM 249 CD ARG A 17 -8.458 6.700 -1.213 1.00 32.24 C ATOM 250 NE ARG A 17 -9.382 7.712 -1.778 1.00 31.43 N ATOM 251 CZ ARG A 17 -10.566 8.030 -1.298 1.00 64.32 C ATOM 252 NH1 ARG A 17 -11.020 7.494 -0.208 1.00 23.24 N ATOM 253 NH2 ARG A 17 -11.298 8.885 -1.920 1.00 15.44 N ATOM 0 H ARG A 17 -4.836 9.084 -3.445 1.00 20.31 H new ATOM 0 HA ARG A 17 -4.671 6.643 -2.032 1.00 1.15 H new ATOM 0 HB2 ARG A 17 -5.781 8.867 -1.403 1.00 12.10 H new ATOM 0 HB3 ARG A 17 -7.056 8.500 -2.547 1.00 12.10 H new ATOM 0 HG2 ARG A 17 -6.509 6.535 -0.317 1.00 22.22 H new ATOM 0 HG3 ARG A 17 -7.344 8.028 0.062 1.00 22.22 H new ATOM 0 HD2 ARG A 17 -8.252 5.939 -1.966 1.00 32.24 H new ATOM 0 HD3 ARG A 17 -8.941 6.197 -0.375 1.00 32.24 H new ATOM 0 HE ARG A 17 -9.072 8.207 -2.614 1.00 31.43 H new ATOM 0 HH11 ARG A 17 -10.457 6.810 0.297 1.00 23.24 H new ATOM 0 HH12 ARG A 17 -11.941 7.756 0.144 1.00 23.24 H new ATOM 0 HH21 ARG A 17 -10.961 9.314 -2.782 1.00 15.44 H new ATOM 0 HH22 ARG A 17 -12.216 9.134 -1.552 1.00 15.44 H new ATOM 267 N GLU A 18 -6.709 6.552 -4.637 1.00 44.23 N ATOM 268 CA GLU A 18 -7.499 5.690 -5.548 1.00 15.30 C ATOM 269 C GLU A 18 -6.627 4.853 -6.517 1.00 25.15 C ATOM 270 O GLU A 18 -7.071 3.814 -7.009 1.00 64.11 O ATOM 271 CB GLU A 18 -8.530 6.555 -6.321 1.00 55.15 C ATOM 272 CG GLU A 18 -9.640 7.160 -5.429 1.00 33.03 C ATOM 273 CD GLU A 18 -10.595 6.102 -4.831 1.00 72.33 C ATOM 274 OE1 GLU A 18 -10.242 5.451 -3.827 1.00 3.40 O ATOM 275 OE2 GLU A 18 -11.703 5.911 -5.374 1.00 4.44 O ATOM 0 H GLU A 18 -6.700 7.533 -4.917 1.00 44.23 H new ATOM 0 HA GLU A 18 -8.024 4.962 -4.929 1.00 15.30 H new ATOM 0 HB2 GLU A 18 -8.003 7.364 -6.826 1.00 55.15 H new ATOM 0 HB3 GLU A 18 -8.994 5.944 -7.095 1.00 55.15 H new ATOM 0 HG2 GLU A 18 -9.177 7.721 -4.617 1.00 33.03 H new ATOM 0 HG3 GLU A 18 -10.220 7.871 -6.017 1.00 33.03 H new ATOM 282 N MET A 19 -5.409 5.331 -6.823 1.00 64.02 N ATOM 283 CA MET A 19 -4.418 4.561 -7.622 1.00 53.54 C ATOM 284 C MET A 19 -3.773 3.432 -6.780 1.00 21.10 C ATOM 285 O MET A 19 -3.415 2.376 -7.317 1.00 51.34 O ATOM 286 CB MET A 19 -3.334 5.488 -8.234 1.00 52.11 C ATOM 287 CG MET A 19 -3.841 6.427 -9.343 1.00 43.25 C ATOM 288 SD MET A 19 -2.512 7.352 -10.158 1.00 11.41 S ATOM 289 CE MET A 19 -1.775 8.261 -8.799 1.00 63.54 C ATOM 0 H MET A 19 -5.078 6.251 -6.531 1.00 64.02 H new ATOM 0 HA MET A 19 -4.958 4.097 -8.447 1.00 53.54 H new ATOM 0 HB2 MET A 19 -2.899 6.091 -7.437 1.00 52.11 H new ATOM 0 HB3 MET A 19 -2.533 4.869 -8.639 1.00 52.11 H new ATOM 0 HG2 MET A 19 -4.378 5.841 -10.089 1.00 43.25 H new ATOM 0 HG3 MET A 19 -4.556 7.131 -8.916 1.00 43.25 H new ATOM 0 HE1 MET A 19 -1.045 8.970 -9.189 1.00 63.54 H new ATOM 0 HE2 MET A 19 -2.552 8.801 -8.258 1.00 63.54 H new ATOM 0 HE3 MET A 19 -1.279 7.565 -8.122 1.00 63.54 H new ATOM 299 N LEU A 20 -3.632 3.665 -5.457 1.00 64.34 N ATOM 300 CA LEU A 20 -3.234 2.602 -4.502 1.00 15.41 C ATOM 301 C LEU A 20 -4.376 1.571 -4.324 1.00 35.33 C ATOM 302 O LEU A 20 -4.117 0.383 -4.125 1.00 32.42 O ATOM 303 CB LEU A 20 -2.824 3.192 -3.125 1.00 72.33 C ATOM 304 CG LEU A 20 -1.586 4.150 -3.111 1.00 45.01 C ATOM 305 CD1 LEU A 20 -1.213 4.552 -1.666 1.00 52.24 C ATOM 306 CD2 LEU A 20 -0.373 3.533 -3.847 1.00 3.14 C ATOM 0 H LEU A 20 -3.787 4.576 -5.025 1.00 64.34 H new ATOM 0 HA LEU A 20 -2.364 2.097 -4.922 1.00 15.41 H new ATOM 0 HB2 LEU A 20 -3.678 3.734 -2.719 1.00 72.33 H new ATOM 0 HB3 LEU A 20 -2.621 2.363 -2.447 1.00 72.33 H new ATOM 0 HG LEU A 20 -1.868 5.053 -3.653 1.00 45.01 H new ATOM 0 HD11 LEU A 20 -0.350 5.218 -1.685 1.00 52.24 H new ATOM 0 HD12 LEU A 20 -2.056 5.064 -1.202 1.00 52.24 H new ATOM 0 HD13 LEU A 20 -0.970 3.658 -1.091 1.00 52.24 H new ATOM 0 HD21 LEU A 20 0.465 4.229 -3.814 1.00 3.14 H new ATOM 0 HD22 LEU A 20 -0.089 2.600 -3.361 1.00 3.14 H new ATOM 0 HD23 LEU A 20 -0.640 3.335 -4.885 1.00 3.14 H new ATOM 318 N THR A 21 -5.642 2.052 -4.390 1.00 32.12 N ATOM 319 CA THR A 21 -6.838 1.170 -4.441 1.00 12.12 C ATOM 320 C THR A 21 -6.795 0.279 -5.704 1.00 4.43 C ATOM 321 O THR A 21 -7.003 -0.932 -5.624 1.00 55.44 O ATOM 322 CB THR A 21 -8.188 1.979 -4.453 1.00 12.43 C ATOM 323 OG1 THR A 21 -8.252 2.873 -3.336 1.00 62.41 O ATOM 324 CG2 THR A 21 -9.415 1.043 -4.428 1.00 31.43 C ATOM 0 H THR A 21 -5.863 3.048 -4.409 1.00 32.12 H new ATOM 0 HA THR A 21 -6.809 0.562 -3.537 1.00 12.12 H new ATOM 0 HB THR A 21 -8.209 2.551 -5.380 1.00 12.43 H new ATOM 0 HG1 THR A 21 -7.707 2.519 -2.602 1.00 62.41 H new ATOM 0 HG21 THR A 21 -10.328 1.639 -4.437 1.00 31.43 H new ATOM 0 HG22 THR A 21 -9.396 0.395 -5.304 1.00 31.43 H new ATOM 0 HG23 THR A 21 -9.389 0.433 -3.525 1.00 31.43 H new ATOM 332 N ALA A 22 -6.500 0.921 -6.861 1.00 24.40 N ATOM 333 CA ALA A 22 -6.394 0.250 -8.182 1.00 14.43 C ATOM 334 C ALA A 22 -5.296 -0.839 -8.187 1.00 33.23 C ATOM 335 O ALA A 22 -5.444 -1.881 -8.836 1.00 3.12 O ATOM 336 CB ALA A 22 -6.130 1.286 -9.286 1.00 14.32 C ATOM 0 H ALA A 22 -6.328 1.925 -6.905 1.00 24.40 H new ATOM 0 HA ALA A 22 -7.345 -0.245 -8.379 1.00 14.43 H new ATOM 0 HB1 ALA A 22 -6.055 0.781 -10.249 1.00 14.32 H new ATOM 0 HB2 ALA A 22 -6.950 2.003 -9.316 1.00 14.32 H new ATOM 0 HB3 ALA A 22 -5.197 1.810 -9.077 1.00 14.32 H new ATOM 342 N ALA A 23 -4.202 -0.571 -7.455 1.00 54.21 N ATOM 343 CA ALA A 23 -3.128 -1.550 -7.201 1.00 30.15 C ATOM 344 C ALA A 23 -3.647 -2.774 -6.395 1.00 31.33 C ATOM 345 O ALA A 23 -3.363 -3.927 -6.734 1.00 52.40 O ATOM 346 CB ALA A 23 -1.975 -0.861 -6.456 1.00 65.23 C ATOM 0 H ALA A 23 -4.035 0.336 -7.019 1.00 54.21 H new ATOM 0 HA ALA A 23 -2.769 -1.925 -8.160 1.00 30.15 H new ATOM 0 HB1 ALA A 23 -1.181 -1.583 -6.268 1.00 65.23 H new ATOM 0 HB2 ALA A 23 -1.586 -0.044 -7.064 1.00 65.23 H new ATOM 0 HB3 ALA A 23 -2.339 -0.466 -5.507 1.00 65.23 H new ATOM 352 N LEU A 24 -4.441 -2.499 -5.344 1.00 11.41 N ATOM 353 CA LEU A 24 -5.008 -3.540 -4.445 1.00 31.12 C ATOM 354 C LEU A 24 -6.237 -4.286 -5.052 1.00 14.52 C ATOM 355 O LEU A 24 -6.740 -5.261 -4.463 1.00 71.12 O ATOM 356 CB LEU A 24 -5.379 -2.898 -3.084 1.00 33.51 C ATOM 357 CG LEU A 24 -4.192 -2.300 -2.253 1.00 30.41 C ATOM 358 CD1 LEU A 24 -4.696 -1.636 -0.945 1.00 23.54 C ATOM 359 CD2 LEU A 24 -3.118 -3.379 -1.963 1.00 31.53 C ATOM 0 H LEU A 24 -4.712 -1.550 -5.088 1.00 11.41 H new ATOM 0 HA LEU A 24 -4.238 -4.299 -4.308 1.00 31.12 H new ATOM 0 HB2 LEU A 24 -6.104 -2.104 -3.266 1.00 33.51 H new ATOM 0 HB3 LEU A 24 -5.878 -3.652 -2.475 1.00 33.51 H new ATOM 0 HG LEU A 24 -3.725 -1.520 -2.854 1.00 30.41 H new ATOM 0 HD11 LEU A 24 -3.848 -1.231 -0.392 1.00 23.54 H new ATOM 0 HD12 LEU A 24 -5.388 -0.830 -1.189 1.00 23.54 H new ATOM 0 HD13 LEU A 24 -5.207 -2.379 -0.333 1.00 23.54 H new ATOM 0 HD21 LEU A 24 -2.306 -2.938 -1.385 1.00 31.53 H new ATOM 0 HD22 LEU A 24 -3.566 -4.195 -1.395 1.00 31.53 H new ATOM 0 HD23 LEU A 24 -2.726 -3.764 -2.904 1.00 31.53 H new ATOM 371 N GLN A 25 -6.727 -3.822 -6.221 1.00 22.55 N ATOM 372 CA GLN A 25 -7.863 -4.463 -6.939 1.00 10.31 C ATOM 373 C GLN A 25 -7.498 -4.822 -8.404 1.00 13.12 C ATOM 374 O GLN A 25 -8.386 -5.172 -9.190 1.00 24.41 O ATOM 375 CB GLN A 25 -9.119 -3.536 -6.902 1.00 5.20 C ATOM 376 CG GLN A 25 -9.010 -2.243 -7.736 1.00 52.04 C ATOM 377 CD GLN A 25 -10.206 -1.282 -7.616 1.00 1.41 C ATOM 378 OE1 GLN A 25 -10.045 -0.070 -7.705 1.00 72.30 O ATOM 379 NE2 GLN A 25 -11.412 -1.803 -7.449 1.00 73.02 N ATOM 0 H GLN A 25 -6.354 -3.000 -6.695 1.00 22.55 H new ATOM 0 HA GLN A 25 -8.091 -5.396 -6.424 1.00 10.31 H new ATOM 0 HB2 GLN A 25 -9.980 -4.104 -7.254 1.00 5.20 H new ATOM 0 HB3 GLN A 25 -9.319 -3.264 -5.866 1.00 5.20 H new ATOM 0 HG2 GLN A 25 -8.106 -1.712 -7.437 1.00 52.04 H new ATOM 0 HG3 GLN A 25 -8.887 -2.515 -8.784 1.00 52.04 H new ATOM 0 HE21 GLN A 25 -11.525 -2.814 -7.377 1.00 73.02 H new ATOM 0 HE22 GLN A 25 -12.228 -1.193 -7.392 1.00 73.02 H new ATOM 388 N THR A 26 -6.187 -4.777 -8.744 1.00 43.33 N ATOM 389 CA THR A 26 -5.690 -5.055 -10.128 1.00 55.11 C ATOM 390 C THR A 26 -6.103 -6.461 -10.644 1.00 74.41 C ATOM 391 O THR A 26 -6.409 -6.630 -11.826 1.00 52.32 O ATOM 392 CB THR A 26 -4.126 -4.879 -10.240 1.00 11.32 C ATOM 393 OG1 THR A 26 -3.693 -5.101 -11.596 1.00 42.10 O ATOM 394 CG2 THR A 26 -3.347 -5.820 -9.296 1.00 34.43 C ATOM 0 H THR A 26 -5.446 -4.550 -8.081 1.00 43.33 H new ATOM 0 HA THR A 26 -6.170 -4.313 -10.765 1.00 55.11 H new ATOM 0 HB THR A 26 -3.908 -3.855 -9.937 1.00 11.32 H new ATOM 0 HG1 THR A 26 -2.721 -4.987 -11.652 1.00 42.10 H new ATOM 0 HG21 THR A 26 -2.277 -5.653 -9.418 1.00 34.43 H new ATOM 0 HG22 THR A 26 -3.631 -5.616 -8.264 1.00 34.43 H new ATOM 0 HG23 THR A 26 -3.583 -6.856 -9.539 1.00 34.43 H new ATOM 402 N ASP A 27 -6.134 -7.452 -9.730 1.00 32.43 N ATOM 403 CA ASP A 27 -6.620 -8.830 -10.018 1.00 25.51 C ATOM 404 C ASP A 27 -7.845 -9.176 -9.134 1.00 72.50 C ATOM 405 O ASP A 27 -8.133 -10.356 -8.912 1.00 4.51 O ATOM 406 CB ASP A 27 -5.476 -9.848 -9.758 1.00 52.21 C ATOM 407 CG ASP A 27 -4.234 -9.591 -10.621 1.00 10.11 C ATOM 408 OD1 ASP A 27 -4.272 -9.881 -11.831 1.00 41.15 O ATOM 409 OD2 ASP A 27 -3.215 -9.109 -10.089 1.00 42.25 O ATOM 0 H ASP A 27 -5.823 -7.326 -8.767 1.00 32.43 H new ATOM 0 HA ASP A 27 -6.926 -8.882 -11.063 1.00 25.51 H new ATOM 0 HB2 ASP A 27 -5.194 -9.808 -8.706 1.00 52.21 H new ATOM 0 HB3 ASP A 27 -5.843 -10.856 -9.952 1.00 52.21 H new ATOM 414 N HIS A 28 -8.580 -8.128 -8.667 1.00 53.24 N ATOM 415 CA HIS A 28 -9.593 -8.247 -7.578 1.00 54.05 C ATOM 416 C HIS A 28 -8.961 -8.905 -6.314 1.00 24.53 C ATOM 417 O HIS A 28 -9.621 -9.650 -5.594 1.00 4.52 O ATOM 418 CB HIS A 28 -10.853 -9.035 -8.055 1.00 10.24 C ATOM 419 CG HIS A 28 -11.579 -8.414 -9.222 1.00 61.14 C ATOM 420 ND1 HIS A 28 -11.811 -9.068 -10.413 1.00 71.13 N ATOM 421 CD2 HIS A 28 -12.151 -7.202 -9.354 1.00 63.20 C ATOM 422 CE1 HIS A 28 -12.485 -8.277 -11.221 1.00 52.04 C ATOM 423 NE2 HIS A 28 -12.707 -7.141 -10.602 1.00 35.42 N ATOM 0 H HIS A 28 -8.488 -7.180 -9.033 1.00 53.24 H new ATOM 0 HA HIS A 28 -9.922 -7.242 -7.312 1.00 54.05 H new ATOM 0 HB2 HIS A 28 -10.551 -10.046 -8.329 1.00 10.24 H new ATOM 0 HB3 HIS A 28 -11.547 -9.125 -7.219 1.00 10.24 H new ATOM 0 HD2 HIS A 28 -12.168 -6.420 -8.609 1.00 63.20 H new ATOM 0 HE1 HIS A 28 -12.802 -8.521 -12.224 1.00 52.04 H new ATOM 0 HE2 HIS A 28 -13.212 -6.343 -10.989 1.00 35.42 H new ATOM 432 N ASP A 29 -7.689 -8.538 -6.038 1.00 64.54 N ATOM 433 CA ASP A 29 -6.781 -9.263 -5.105 1.00 52.12 C ATOM 434 C ASP A 29 -7.366 -9.400 -3.669 1.00 23.32 C ATOM 435 O ASP A 29 -7.293 -10.470 -3.049 1.00 62.44 O ATOM 436 CB ASP A 29 -5.404 -8.531 -5.074 1.00 14.52 C ATOM 437 CG ASP A 29 -4.236 -9.441 -4.648 1.00 41.11 C ATOM 438 OD1 ASP A 29 -4.056 -9.689 -3.437 1.00 30.40 O ATOM 439 OD2 ASP A 29 -3.505 -9.925 -5.539 1.00 31.24 O ATOM 0 H ASP A 29 -7.253 -7.718 -6.461 1.00 64.54 H new ATOM 0 HA ASP A 29 -6.661 -10.281 -5.476 1.00 52.12 H new ATOM 0 HB2 ASP A 29 -5.195 -8.124 -6.063 1.00 14.52 H new ATOM 0 HB3 ASP A 29 -5.465 -7.686 -4.388 1.00 14.52 H new ATOM 444 N HIS A 30 -7.954 -8.300 -3.177 1.00 1.44 N ATOM 445 CA HIS A 30 -8.591 -8.237 -1.841 1.00 32.11 C ATOM 446 C HIS A 30 -9.835 -9.164 -1.710 1.00 54.22 C ATOM 447 O HIS A 30 -10.126 -9.637 -0.620 1.00 60.03 O ATOM 448 CB HIS A 30 -8.990 -6.779 -1.531 1.00 51.15 C ATOM 449 CG HIS A 30 -9.999 -6.201 -2.488 1.00 1.13 C ATOM 450 ND1 HIS A 30 -9.682 -5.803 -3.764 1.00 64.05 N ATOM 451 CD2 HIS A 30 -11.327 -5.984 -2.358 1.00 30.33 C ATOM 452 CE1 HIS A 30 -10.768 -5.370 -4.364 1.00 60.14 C ATOM 453 NE2 HIS A 30 -11.774 -5.464 -3.534 1.00 73.22 N ATOM 0 H HIS A 30 -8.005 -7.421 -3.692 1.00 1.44 H new ATOM 0 HA HIS A 30 -7.857 -8.596 -1.120 1.00 32.11 H new ATOM 0 HB2 HIS A 30 -9.395 -6.732 -0.520 1.00 51.15 H new ATOM 0 HB3 HIS A 30 -8.095 -6.158 -1.545 1.00 51.15 H new ATOM 0 HD1 HIS A 30 -8.751 -5.838 -4.180 1.00 64.05 H new ATOM 0 HD2 HIS A 30 -11.924 -6.186 -1.481 1.00 30.33 H new ATOM 0 HE1 HIS A 30 -10.821 -4.998 -5.376 1.00 60.14 H new ATOM 462 N VAL A 31 -10.559 -9.398 -2.830 1.00 21.15 N ATOM 463 CA VAL A 31 -11.811 -10.213 -2.848 1.00 13.55 C ATOM 464 C VAL A 31 -11.522 -11.707 -2.528 1.00 30.33 C ATOM 465 O VAL A 31 -12.311 -12.360 -1.842 1.00 62.43 O ATOM 466 CB VAL A 31 -12.561 -10.084 -4.233 1.00 42.02 C ATOM 467 CG1 VAL A 31 -13.872 -10.912 -4.272 1.00 42.03 C ATOM 468 CG2 VAL A 31 -12.838 -8.598 -4.570 1.00 2.04 C ATOM 0 H VAL A 31 -10.299 -9.032 -3.746 1.00 21.15 H new ATOM 0 HA VAL A 31 -12.462 -9.818 -2.068 1.00 13.55 H new ATOM 0 HB VAL A 31 -11.900 -10.498 -4.995 1.00 42.02 H new ATOM 0 HG11 VAL A 31 -14.350 -10.790 -5.244 1.00 42.03 H new ATOM 0 HG12 VAL A 31 -13.642 -11.965 -4.110 1.00 42.03 H new ATOM 0 HG13 VAL A 31 -14.546 -10.563 -3.490 1.00 42.03 H new ATOM 0 HG21 VAL A 31 -13.355 -8.532 -5.527 1.00 2.04 H new ATOM 0 HG22 VAL A 31 -13.460 -8.158 -3.791 1.00 2.04 H new ATOM 0 HG23 VAL A 31 -11.894 -8.056 -4.629 1.00 2.04 H new ATOM 478 N ALA A 32 -10.370 -12.215 -3.012 1.00 44.35 N ATOM 479 CA ALA A 32 -9.890 -13.591 -2.702 1.00 44.13 C ATOM 480 C ALA A 32 -9.686 -13.805 -1.174 1.00 20.31 C ATOM 481 O ALA A 32 -9.884 -14.905 -0.651 1.00 41.33 O ATOM 482 CB ALA A 32 -8.579 -13.869 -3.463 1.00 53.43 C ATOM 0 H ALA A 32 -9.745 -11.692 -3.625 1.00 44.35 H new ATOM 0 HA ALA A 32 -10.656 -14.295 -3.027 1.00 44.13 H new ATOM 0 HB1 ALA A 32 -8.232 -14.876 -3.233 1.00 53.43 H new ATOM 0 HB2 ALA A 32 -8.755 -13.781 -4.535 1.00 53.43 H new ATOM 0 HB3 ALA A 32 -7.822 -13.146 -3.159 1.00 53.43 H new ATOM 488 N ILE A 33 -9.298 -12.719 -0.484 1.00 2.43 N ATOM 489 CA ILE A 33 -9.072 -12.704 0.981 1.00 12.13 C ATOM 490 C ILE A 33 -10.366 -12.325 1.764 1.00 71.14 C ATOM 491 O ILE A 33 -10.577 -12.779 2.892 1.00 15.41 O ATOM 492 CB ILE A 33 -7.900 -11.698 1.313 1.00 0.54 C ATOM 493 CG1 ILE A 33 -6.587 -12.169 0.593 1.00 42.51 C ATOM 494 CG2 ILE A 33 -7.677 -11.529 2.842 1.00 4.05 C ATOM 495 CD1 ILE A 33 -5.384 -11.265 0.777 1.00 13.22 C ATOM 0 H ILE A 33 -9.129 -11.816 -0.927 1.00 2.43 H new ATOM 0 HA ILE A 33 -8.794 -13.709 1.300 1.00 12.13 H new ATOM 0 HB ILE A 33 -8.183 -10.714 0.939 1.00 0.54 H new ATOM 0 HG12 ILE A 33 -6.331 -13.164 0.956 1.00 42.51 H new ATOM 0 HG13 ILE A 33 -6.791 -12.261 -0.474 1.00 42.51 H new ATOM 0 HG21 ILE A 33 -6.861 -10.828 3.015 1.00 4.05 H new ATOM 0 HG22 ILE A 33 -8.588 -11.147 3.302 1.00 4.05 H new ATOM 0 HG23 ILE A 33 -7.426 -12.494 3.282 1.00 4.05 H new ATOM 0 HD11 ILE A 33 -4.531 -11.680 0.240 1.00 13.22 H new ATOM 0 HD12 ILE A 33 -5.611 -10.273 0.386 1.00 13.22 H new ATOM 0 HD13 ILE A 33 -5.144 -11.190 1.838 1.00 13.22 H new ATOM 507 N GLY A 34 -11.239 -11.519 1.138 1.00 10.54 N ATOM 508 CA GLY A 34 -12.435 -10.967 1.806 1.00 71.54 C ATOM 509 C GLY A 34 -12.214 -9.559 2.389 1.00 41.11 C ATOM 510 O GLY A 34 -13.064 -9.047 3.122 1.00 71.25 O ATOM 0 H GLY A 34 -11.140 -11.232 0.164 1.00 10.54 H new ATOM 0 HA2 GLY A 34 -13.257 -10.931 1.091 1.00 71.54 H new ATOM 0 HA3 GLY A 34 -12.738 -11.641 2.607 1.00 71.54 H new ATOM 514 N ALA A 35 -11.068 -8.937 2.042 1.00 64.12 N ATOM 515 CA ALA A 35 -10.685 -7.582 2.510 1.00 4.21 C ATOM 516 C ALA A 35 -11.387 -6.463 1.710 1.00 13.52 C ATOM 517 O ALA A 35 -11.842 -6.687 0.588 1.00 4.52 O ATOM 518 CB ALA A 35 -9.163 -7.420 2.404 1.00 3.20 C ATOM 0 H ALA A 35 -10.375 -9.361 1.425 1.00 64.12 H new ATOM 0 HA ALA A 35 -11.006 -7.487 3.547 1.00 4.21 H new ATOM 0 HB1 ALA A 35 -8.878 -6.425 2.747 1.00 3.20 H new ATOM 0 HB2 ALA A 35 -8.673 -8.172 3.023 1.00 3.20 H new ATOM 0 HB3 ALA A 35 -8.855 -7.548 1.366 1.00 3.20 H new ATOM 524 N ASP A 36 -11.456 -5.259 2.304 1.00 73.44 N ATOM 525 CA ASP A 36 -12.001 -4.047 1.650 1.00 51.50 C ATOM 526 C ASP A 36 -10.845 -3.077 1.297 1.00 23.25 C ATOM 527 O ASP A 36 -10.417 -2.273 2.128 1.00 13.33 O ATOM 528 CB ASP A 36 -13.022 -3.357 2.584 1.00 55.44 C ATOM 529 CG ASP A 36 -14.191 -4.257 2.979 1.00 72.34 C ATOM 530 OD1 ASP A 36 -14.076 -4.981 3.983 1.00 22.50 O ATOM 531 OD2 ASP A 36 -15.220 -4.260 2.273 1.00 2.32 O ATOM 0 H ASP A 36 -11.134 -5.094 3.258 1.00 73.44 H new ATOM 0 HA ASP A 36 -12.511 -4.333 0.730 1.00 51.50 H new ATOM 0 HB2 ASP A 36 -12.509 -3.023 3.486 1.00 55.44 H new ATOM 0 HB3 ASP A 36 -13.410 -2.466 2.090 1.00 55.44 H new ATOM 536 N CYS A 37 -10.370 -3.142 0.043 1.00 53.44 N ATOM 537 CA CYS A 37 -9.092 -2.504 -0.377 1.00 13.53 C ATOM 538 C CYS A 37 -9.128 -0.962 -0.375 1.00 4.11 C ATOM 539 O CYS A 37 -8.107 -0.333 -0.106 1.00 22.03 O ATOM 540 CB CYS A 37 -8.709 -2.977 -1.786 1.00 20.03 C ATOM 541 SG CYS A 37 -9.894 -2.520 -3.076 1.00 53.22 S ATOM 0 H CYS A 37 -10.850 -3.633 -0.711 1.00 53.44 H new ATOM 0 HA CYS A 37 -8.354 -2.811 0.364 1.00 13.53 H new ATOM 0 HB2 CYS A 37 -7.734 -2.563 -2.042 1.00 20.03 H new ATOM 0 HB3 CYS A 37 -8.602 -4.062 -1.775 1.00 20.03 H new ATOM 0 HG CYS A 37 -9.263 -1.963 -4.067 1.00 53.22 H new ATOM 547 N GLU A 38 -10.295 -0.374 -0.691 1.00 33.14 N ATOM 548 CA GLU A 38 -10.449 1.101 -0.825 1.00 22.52 C ATOM 549 C GLU A 38 -10.175 1.866 0.509 1.00 71.12 C ATOM 550 O GLU A 38 -9.592 2.958 0.499 1.00 33.20 O ATOM 551 CB GLU A 38 -11.842 1.482 -1.456 1.00 15.33 C ATOM 552 CG GLU A 38 -13.055 0.576 -1.123 1.00 11.21 C ATOM 553 CD GLU A 38 -13.389 0.474 0.373 1.00 74.21 C ATOM 554 OE1 GLU A 38 -14.089 1.356 0.912 1.00 34.34 O ATOM 555 OE2 GLU A 38 -12.953 -0.491 1.016 1.00 43.15 O ATOM 0 H GLU A 38 -11.156 -0.894 -0.861 1.00 33.14 H new ATOM 0 HA GLU A 38 -9.676 1.432 -1.519 1.00 22.52 H new ATOM 0 HB2 GLU A 38 -12.086 2.497 -1.143 1.00 15.33 H new ATOM 0 HB3 GLU A 38 -11.725 1.502 -2.540 1.00 15.33 H new ATOM 0 HG2 GLU A 38 -13.930 0.955 -1.652 1.00 11.21 H new ATOM 0 HG3 GLU A 38 -12.859 -0.425 -1.507 1.00 11.21 H new ATOM 562 N ARG A 39 -10.597 1.285 1.641 1.00 63.52 N ATOM 563 CA ARG A 39 -10.360 1.878 2.981 1.00 55.31 C ATOM 564 C ARG A 39 -8.950 1.529 3.506 1.00 31.35 C ATOM 565 O ARG A 39 -8.362 2.313 4.245 1.00 62.12 O ATOM 566 CB ARG A 39 -11.467 1.446 3.979 1.00 44.20 C ATOM 567 CG ARG A 39 -11.515 -0.062 4.320 1.00 3.50 C ATOM 568 CD ARG A 39 -12.898 -0.496 4.835 1.00 21.35 C ATOM 569 NE ARG A 39 -13.926 -0.257 3.799 1.00 34.51 N ATOM 570 CZ ARG A 39 -15.201 -0.551 3.872 1.00 64.24 C ATOM 571 NH1 ARG A 39 -15.720 -1.111 4.922 1.00 14.04 N ATOM 572 NH2 ARG A 39 -15.955 -0.281 2.858 1.00 63.44 N ATOM 0 H ARG A 39 -11.107 0.402 1.663 1.00 63.52 H new ATOM 0 HA ARG A 39 -10.408 2.963 2.885 1.00 55.31 H new ATOM 0 HB2 ARG A 39 -11.333 2.005 4.905 1.00 44.20 H new ATOM 0 HB3 ARG A 39 -12.434 1.737 3.568 1.00 44.20 H new ATOM 0 HG2 ARG A 39 -11.261 -0.642 3.433 1.00 3.50 H new ATOM 0 HG3 ARG A 39 -10.761 -0.287 5.074 1.00 3.50 H new ATOM 0 HD2 ARG A 39 -12.880 -1.552 5.103 1.00 21.35 H new ATOM 0 HD3 ARG A 39 -13.148 0.058 5.740 1.00 21.35 H new ATOM 0 HE ARG A 39 -13.609 0.184 2.936 1.00 34.51 H new ATOM 0 HH11 ARG A 39 -15.131 -1.336 5.724 1.00 14.04 H new ATOM 0 HH12 ARG A 39 -16.717 -1.326 4.945 1.00 14.04 H new ATOM 0 HH21 ARG A 39 -15.555 0.151 2.025 1.00 63.44 H new ATOM 0 HH22 ARG A 39 -16.951 -0.500 2.890 1.00 63.44 H new ATOM 586 N LEU A 40 -8.410 0.351 3.103 1.00 50.02 N ATOM 587 CA LEU A 40 -7.033 -0.067 3.477 1.00 54.42 C ATOM 588 C LEU A 40 -5.974 0.856 2.832 1.00 44.01 C ATOM 589 O LEU A 40 -5.031 1.282 3.497 1.00 74.22 O ATOM 590 CB LEU A 40 -6.764 -1.548 3.082 1.00 15.50 C ATOM 591 CG LEU A 40 -7.713 -2.614 3.724 1.00 2.25 C ATOM 592 CD1 LEU A 40 -7.311 -4.054 3.325 1.00 52.32 C ATOM 593 CD2 LEU A 40 -7.799 -2.453 5.257 1.00 64.10 C ATOM 0 H LEU A 40 -8.905 -0.325 2.521 1.00 50.02 H new ATOM 0 HA LEU A 40 -6.953 0.019 4.561 1.00 54.42 H new ATOM 0 HB2 LEU A 40 -6.836 -1.633 1.998 1.00 15.50 H new ATOM 0 HB3 LEU A 40 -5.737 -1.795 3.353 1.00 15.50 H new ATOM 0 HG LEU A 40 -8.711 -2.435 3.324 1.00 2.25 H new ATOM 0 HD11 LEU A 40 -7.994 -4.765 3.791 1.00 52.32 H new ATOM 0 HD12 LEU A 40 -7.362 -4.159 2.241 1.00 52.32 H new ATOM 0 HD13 LEU A 40 -6.294 -4.254 3.662 1.00 52.32 H new ATOM 0 HD21 LEU A 40 -8.467 -3.211 5.666 1.00 64.10 H new ATOM 0 HD22 LEU A 40 -6.806 -2.572 5.692 1.00 64.10 H new ATOM 0 HD23 LEU A 40 -8.184 -1.462 5.498 1.00 64.10 H new ATOM 605 N SER A 41 -6.176 1.177 1.534 1.00 23.02 N ATOM 606 CA SER A 41 -5.283 2.067 0.751 1.00 54.02 C ATOM 607 C SER A 41 -5.306 3.507 1.293 1.00 73.31 C ATOM 608 O SER A 41 -4.291 4.198 1.262 1.00 3.23 O ATOM 609 CB SER A 41 -5.704 2.088 -0.730 1.00 61.01 C ATOM 610 OG SER A 41 -7.008 2.628 -0.876 1.00 64.12 O ATOM 0 H SER A 41 -6.967 0.825 0.995 1.00 23.02 H new ATOM 0 HA SER A 41 -4.272 1.670 0.844 1.00 54.02 H new ATOM 0 HB2 SER A 41 -4.994 2.681 -1.306 1.00 61.01 H new ATOM 0 HB3 SER A 41 -5.677 1.076 -1.135 1.00 61.01 H new ATOM 0 HG SER A 41 -7.570 2.333 -0.129 1.00 64.12 H new ATOM 616 N ALA A 42 -6.499 3.944 1.758 1.00 64.21 N ATOM 617 CA ALA A 42 -6.684 5.248 2.432 1.00 51.42 C ATOM 618 C ALA A 42 -5.815 5.356 3.707 1.00 44.52 C ATOM 619 O ALA A 42 -5.208 6.392 3.956 1.00 4.41 O ATOM 620 CB ALA A 42 -8.168 5.471 2.771 1.00 64.35 C ATOM 0 H ALA A 42 -7.359 3.402 1.676 1.00 64.21 H new ATOM 0 HA ALA A 42 -6.359 6.028 1.743 1.00 51.42 H new ATOM 0 HB1 ALA A 42 -8.287 6.435 3.266 1.00 64.35 H new ATOM 0 HB2 ALA A 42 -8.757 5.459 1.854 1.00 64.35 H new ATOM 0 HB3 ALA A 42 -8.513 4.677 3.434 1.00 64.35 H new ATOM 626 N GLN A 43 -5.761 4.254 4.485 1.00 22.03 N ATOM 627 CA GLN A 43 -4.920 4.157 5.706 1.00 62.11 C ATOM 628 C GLN A 43 -3.405 4.168 5.353 1.00 52.44 C ATOM 629 O GLN A 43 -2.608 4.792 6.058 1.00 61.42 O ATOM 630 CB GLN A 43 -5.266 2.861 6.489 1.00 34.30 C ATOM 631 CG GLN A 43 -6.749 2.713 6.892 1.00 63.22 C ATOM 632 CD GLN A 43 -7.112 1.306 7.400 1.00 71.23 C ATOM 633 OE1 GLN A 43 -6.320 0.633 8.051 1.00 44.43 O ATOM 634 NE2 GLN A 43 -8.299 0.831 7.061 1.00 34.34 N ATOM 0 H GLN A 43 -6.295 3.408 4.289 1.00 22.03 H new ATOM 0 HA GLN A 43 -5.131 5.027 6.328 1.00 62.11 H new ATOM 0 HB2 GLN A 43 -4.984 2.002 5.881 1.00 34.30 H new ATOM 0 HB3 GLN A 43 -4.656 2.827 7.391 1.00 34.30 H new ATOM 0 HG2 GLN A 43 -6.980 3.442 7.669 1.00 63.22 H new ATOM 0 HG3 GLN A 43 -7.376 2.953 6.033 1.00 63.22 H new ATOM 0 HE21 GLN A 43 -8.943 1.407 6.519 1.00 34.34 H new ATOM 0 HE22 GLN A 43 -8.570 -0.111 7.341 1.00 34.34 H new ATOM 643 N ILE A 44 -3.027 3.463 4.258 1.00 11.53 N ATOM 644 CA ILE A 44 -1.620 3.419 3.767 1.00 23.23 C ATOM 645 C ILE A 44 -1.131 4.832 3.382 1.00 61.33 C ATOM 646 O ILE A 44 -0.105 5.315 3.878 1.00 22.33 O ATOM 647 CB ILE A 44 -1.458 2.464 2.504 1.00 32.05 C ATOM 648 CG1 ILE A 44 -1.929 1.010 2.827 1.00 64.24 C ATOM 649 CG2 ILE A 44 0.009 2.461 1.970 1.00 41.24 C ATOM 650 CD1 ILE A 44 -1.946 0.057 1.639 1.00 53.00 C ATOM 0 H ILE A 44 -3.676 2.914 3.694 1.00 11.53 H new ATOM 0 HA ILE A 44 -1.018 3.024 4.585 1.00 23.23 H new ATOM 0 HB ILE A 44 -2.099 2.862 1.717 1.00 32.05 H new ATOM 0 HG12 ILE A 44 -1.277 0.596 3.596 1.00 64.24 H new ATOM 0 HG13 ILE A 44 -2.932 1.055 3.251 1.00 64.24 H new ATOM 0 HG21 ILE A 44 0.081 1.798 1.108 1.00 41.24 H new ATOM 0 HG22 ILE A 44 0.291 3.472 1.675 1.00 41.24 H new ATOM 0 HG23 ILE A 44 0.681 2.111 2.754 1.00 41.24 H new ATOM 0 HD11 ILE A 44 -2.287 -0.926 1.966 1.00 53.00 H new ATOM 0 HD12 ILE A 44 -2.622 0.440 0.875 1.00 53.00 H new ATOM 0 HD13 ILE A 44 -0.941 -0.027 1.225 1.00 53.00 H new ATOM 662 N GLU A 45 -1.908 5.494 2.507 1.00 34.34 N ATOM 663 CA GLU A 45 -1.516 6.786 1.931 1.00 74.11 C ATOM 664 C GLU A 45 -1.543 7.927 2.966 1.00 74.50 C ATOM 665 O GLU A 45 -0.737 8.822 2.864 1.00 41.42 O ATOM 666 CB GLU A 45 -2.342 7.121 0.655 1.00 44.04 C ATOM 667 CG GLU A 45 -3.845 7.415 0.843 1.00 64.54 C ATOM 668 CD GLU A 45 -4.168 8.875 1.215 1.00 71.20 C ATOM 669 OE1 GLU A 45 -3.834 9.787 0.424 1.00 64.33 O ATOM 670 OE2 GLU A 45 -4.739 9.116 2.296 1.00 55.11 O ATOM 0 H GLU A 45 -2.813 5.152 2.184 1.00 34.34 H new ATOM 0 HA GLU A 45 -0.476 6.690 1.619 1.00 74.11 H new ATOM 0 HB2 GLU A 45 -1.886 7.987 0.176 1.00 44.04 H new ATOM 0 HB3 GLU A 45 -2.246 6.286 -0.038 1.00 44.04 H new ATOM 0 HG2 GLU A 45 -4.370 7.163 -0.079 1.00 64.54 H new ATOM 0 HG3 GLU A 45 -4.236 6.760 1.621 1.00 64.54 H new ATOM 677 N GLU A 46 -2.458 7.886 3.964 1.00 32.42 N ATOM 678 CA GLU A 46 -2.560 8.958 4.996 1.00 35.42 C ATOM 679 C GLU A 46 -1.397 8.894 6.016 1.00 63.02 C ATOM 680 O GLU A 46 -0.960 9.934 6.527 1.00 15.02 O ATOM 681 CB GLU A 46 -3.957 8.957 5.686 1.00 1.35 C ATOM 682 CG GLU A 46 -4.291 7.782 6.645 1.00 20.41 C ATOM 683 CD GLU A 46 -3.767 7.942 8.086 1.00 51.24 C ATOM 684 OE1 GLU A 46 -3.964 9.023 8.686 1.00 13.24 O ATOM 685 OE2 GLU A 46 -3.168 6.987 8.626 1.00 11.12 O ATOM 0 H GLU A 46 -3.133 7.130 4.080 1.00 32.42 H new ATOM 0 HA GLU A 46 -2.463 9.914 4.481 1.00 35.42 H new ATOM 0 HB2 GLU A 46 -4.053 9.886 6.248 1.00 1.35 H new ATOM 0 HB3 GLU A 46 -4.716 8.977 4.904 1.00 1.35 H new ATOM 0 HG2 GLU A 46 -5.374 7.659 6.681 1.00 20.41 H new ATOM 0 HG3 GLU A 46 -3.880 6.864 6.226 1.00 20.41 H new ATOM 692 N CYS A 47 -0.912 7.669 6.310 1.00 60.41 N ATOM 693 CA CYS A 47 0.298 7.455 7.139 1.00 3.14 C ATOM 694 C CYS A 47 1.536 8.124 6.500 1.00 44.31 C ATOM 695 O CYS A 47 2.263 8.879 7.159 1.00 33.14 O ATOM 696 CB CYS A 47 0.565 5.944 7.352 1.00 31.31 C ATOM 697 SG CYS A 47 -0.684 5.094 8.336 1.00 71.33 S ATOM 0 H CYS A 47 -1.343 6.804 5.983 1.00 60.41 H new ATOM 0 HA CYS A 47 0.116 7.917 8.109 1.00 3.14 H new ATOM 0 HB2 CYS A 47 0.633 5.459 6.378 1.00 31.31 H new ATOM 0 HB3 CYS A 47 1.534 5.824 7.836 1.00 31.31 H new ATOM 0 HG CYS A 47 -1.765 4.944 7.630 1.00 71.33 H new ATOM 703 N ILE A 48 1.746 7.854 5.197 1.00 40.41 N ATOM 704 CA ILE A 48 2.860 8.450 4.429 1.00 71.42 C ATOM 705 C ILE A 48 2.561 9.939 4.052 1.00 21.52 C ATOM 706 O ILE A 48 3.483 10.719 3.887 1.00 35.41 O ATOM 707 CB ILE A 48 3.219 7.571 3.157 1.00 3.51 C ATOM 708 CG1 ILE A 48 4.554 8.040 2.483 1.00 32.31 C ATOM 709 CG2 ILE A 48 2.063 7.550 2.132 1.00 10.11 C ATOM 710 CD1 ILE A 48 4.974 7.237 1.260 1.00 61.40 C ATOM 0 H ILE A 48 1.157 7.225 4.651 1.00 40.41 H new ATOM 0 HA ILE A 48 3.741 8.457 5.070 1.00 71.42 H new ATOM 0 HB ILE A 48 3.368 6.551 3.512 1.00 3.51 H new ATOM 0 HG12 ILE A 48 4.450 9.086 2.194 1.00 32.31 H new ATOM 0 HG13 ILE A 48 5.353 7.992 3.223 1.00 32.31 H new ATOM 0 HG21 ILE A 48 2.347 6.938 1.276 1.00 10.11 H new ATOM 0 HG22 ILE A 48 1.171 7.131 2.598 1.00 10.11 H new ATOM 0 HG23 ILE A 48 1.854 8.566 1.798 1.00 10.11 H new ATOM 0 HD11 ILE A 48 5.908 7.637 0.865 1.00 61.40 H new ATOM 0 HD12 ILE A 48 5.116 6.194 1.541 1.00 61.40 H new ATOM 0 HD13 ILE A 48 4.199 7.304 0.497 1.00 61.40 H new ATOM 722 N PHE A 49 1.265 10.330 3.969 1.00 30.12 N ATOM 723 CA PHE A 49 0.843 11.726 3.608 1.00 63.34 C ATOM 724 C PHE A 49 1.108 12.721 4.759 1.00 2.34 C ATOM 725 O PHE A 49 1.361 13.895 4.528 1.00 74.01 O ATOM 726 CB PHE A 49 -0.664 11.775 3.214 1.00 72.41 C ATOM 727 CG PHE A 49 -1.155 13.134 2.703 1.00 13.24 C ATOM 728 CD1 PHE A 49 -0.792 13.583 1.434 1.00 64.13 C ATOM 729 CD2 PHE A 49 -1.960 13.962 3.489 1.00 10.30 C ATOM 730 CE1 PHE A 49 -1.211 14.811 0.965 1.00 60.11 C ATOM 731 CE2 PHE A 49 -2.381 15.186 3.019 1.00 62.31 C ATOM 732 CZ PHE A 49 -2.005 15.614 1.756 1.00 13.44 C ATOM 0 H PHE A 49 0.482 9.701 4.147 1.00 30.12 H new ATOM 0 HA PHE A 49 1.446 12.023 2.750 1.00 63.34 H new ATOM 0 HB2 PHE A 49 -0.847 11.026 2.444 1.00 72.41 H new ATOM 0 HB3 PHE A 49 -1.260 11.493 4.082 1.00 72.41 H new ATOM 0 HD1 PHE A 49 -0.172 12.959 0.807 1.00 64.13 H new ATOM 0 HD2 PHE A 49 -2.255 13.639 4.476 1.00 10.30 H new ATOM 0 HE1 PHE A 49 -0.918 15.143 -0.020 1.00 60.11 H new ATOM 0 HE2 PHE A 49 -3.006 15.814 3.637 1.00 62.31 H new ATOM 0 HZ PHE A 49 -2.334 16.576 1.391 1.00 13.44 H new ATOM 742 N ARG A 50 1.016 12.254 6.004 1.00 64.02 N ATOM 743 CA ARG A 50 1.362 13.090 7.180 1.00 70.01 C ATOM 744 C ARG A 50 2.901 13.300 7.299 1.00 62.20 C ATOM 745 O ARG A 50 3.356 14.232 7.965 1.00 54.32 O ATOM 746 CB ARG A 50 0.731 12.478 8.463 1.00 12.01 C ATOM 747 CG ARG A 50 -0.809 12.673 8.546 1.00 74.04 C ATOM 748 CD ARG A 50 -1.452 11.967 9.756 1.00 35.22 C ATOM 749 NE ARG A 50 -1.509 10.504 9.577 1.00 14.13 N ATOM 750 CZ ARG A 50 -0.921 9.607 10.335 1.00 34.31 C ATOM 751 NH1 ARG A 50 -0.148 9.938 11.315 1.00 21.51 N ATOM 752 NH2 ARG A 50 -1.112 8.366 10.096 1.00 60.23 N ATOM 0 H ARG A 50 0.708 11.310 6.236 1.00 64.02 H new ATOM 0 HA ARG A 50 0.939 14.086 7.048 1.00 70.01 H new ATOM 0 HB2 ARG A 50 0.957 11.412 8.498 1.00 12.01 H new ATOM 0 HB3 ARG A 50 1.195 12.931 9.339 1.00 12.01 H new ATOM 0 HG2 ARG A 50 -1.030 13.739 8.597 1.00 74.04 H new ATOM 0 HG3 ARG A 50 -1.265 12.296 7.631 1.00 74.04 H new ATOM 0 HD2 ARG A 50 -0.883 12.200 10.656 1.00 35.22 H new ATOM 0 HD3 ARG A 50 -2.460 12.353 9.907 1.00 35.22 H new ATOM 0 HE ARG A 50 -2.057 10.156 8.790 1.00 14.13 H new ATOM 0 HH11 ARG A 50 0.022 10.923 11.520 1.00 21.51 H new ATOM 0 HH12 ARG A 50 0.293 9.215 11.884 1.00 21.51 H new ATOM 0 HH21 ARG A 50 -1.715 8.082 9.324 1.00 60.23 H new ATOM 0 HH22 ARG A 50 -0.661 7.659 10.677 1.00 60.23 H new ATOM 766 N ASP A 51 3.688 12.425 6.646 1.00 34.52 N ATOM 767 CA ASP A 51 5.164 12.557 6.549 1.00 61.24 C ATOM 768 C ASP A 51 5.614 13.356 5.276 1.00 75.53 C ATOM 769 O ASP A 51 6.512 14.201 5.335 1.00 32.32 O ATOM 770 CB ASP A 51 5.780 11.136 6.556 1.00 21.20 C ATOM 771 CG ASP A 51 7.317 11.143 6.546 1.00 45.50 C ATOM 772 OD1 ASP A 51 7.922 11.402 7.604 1.00 64.02 O ATOM 773 OD2 ASP A 51 7.928 10.926 5.480 1.00 12.30 O ATOM 0 H ASP A 51 3.322 11.602 6.167 1.00 34.52 H new ATOM 0 HA ASP A 51 5.521 13.130 7.404 1.00 61.24 H new ATOM 0 HB2 ASP A 51 5.431 10.600 7.439 1.00 21.20 H new ATOM 0 HB3 ASP A 51 5.420 10.586 5.686 1.00 21.20 H new ATOM 778 N VAL A 52 4.953 13.073 4.140 1.00 22.22 N ATOM 779 CA VAL A 52 5.403 13.453 2.764 1.00 21.23 C ATOM 780 C VAL A 52 4.455 14.502 2.091 1.00 44.44 C ATOM 781 O VAL A 52 4.787 15.089 1.047 1.00 10.12 O ATOM 782 CB VAL A 52 5.527 12.136 1.877 1.00 11.21 C ATOM 783 CG1 VAL A 52 5.971 12.415 0.432 1.00 34.44 C ATOM 784 CG2 VAL A 52 6.490 11.114 2.526 1.00 74.24 C ATOM 0 H VAL A 52 4.070 12.563 4.139 1.00 22.22 H new ATOM 0 HA VAL A 52 6.377 13.936 2.843 1.00 21.23 H new ATOM 0 HB VAL A 52 4.522 11.717 1.833 1.00 11.21 H new ATOM 0 HG11 VAL A 52 6.035 11.475 -0.117 1.00 34.44 H new ATOM 0 HG12 VAL A 52 5.245 13.069 -0.052 1.00 34.44 H new ATOM 0 HG13 VAL A 52 6.948 12.899 0.438 1.00 34.44 H new ATOM 0 HG21 VAL A 52 6.555 10.225 1.898 1.00 74.24 H new ATOM 0 HG22 VAL A 52 7.480 11.560 2.627 1.00 74.24 H new ATOM 0 HG23 VAL A 52 6.115 10.836 3.511 1.00 74.24 H new ATOM 794 N GLY A 53 3.288 14.749 2.717 1.00 52.45 N ATOM 795 CA GLY A 53 2.194 15.575 2.143 1.00 72.45 C ATOM 796 C GLY A 53 2.510 17.051 1.849 1.00 23.44 C ATOM 797 O GLY A 53 1.624 17.790 1.407 1.00 61.25 O ATOM 0 H GLY A 53 3.071 14.380 3.643 1.00 52.45 H new ATOM 0 HA2 GLY A 53 1.869 15.107 1.214 1.00 72.45 H new ATOM 0 HA3 GLY A 53 1.348 15.541 2.830 1.00 72.45 H new ATOM 801 N ASN A 54 3.766 17.479 2.090 1.00 53.23 N ATOM 802 CA ASN A 54 4.303 18.775 1.611 1.00 51.13 C ATOM 803 C ASN A 54 4.350 18.836 0.056 1.00 62.20 C ATOM 804 O ASN A 54 4.575 19.902 -0.507 1.00 40.43 O ATOM 805 CB ASN A 54 5.727 18.980 2.193 1.00 13.44 C ATOM 806 CG ASN A 54 6.727 17.923 1.695 1.00 3.42 C ATOM 807 OD1 ASN A 54 6.861 16.856 2.278 1.00 72.22 O ATOM 808 ND2 ASN A 54 7.430 18.209 0.614 1.00 54.05 N ATOM 0 H ASN A 54 4.442 16.934 2.625 1.00 53.23 H new ATOM 0 HA ASN A 54 3.640 19.571 1.951 1.00 51.13 H new ATOM 0 HB2 ASN A 54 6.087 19.972 1.921 1.00 13.44 H new ATOM 0 HB3 ASN A 54 5.679 18.945 3.281 1.00 13.44 H new ATOM 0 HD21 ASN A 54 8.101 17.534 0.249 1.00 54.05 H new ATOM 0 HD22 ASN A 54 7.301 19.105 0.144 1.00 54.05 H new ATOM 815 N THR A 55 4.173 17.650 -0.584 1.00 73.42 N ATOM 816 CA THR A 55 4.193 17.428 -2.045 1.00 55.22 C ATOM 817 C THR A 55 5.554 17.810 -2.667 1.00 53.41 C ATOM 818 O THR A 55 6.459 16.969 -2.668 1.00 70.04 O ATOM 819 CB THR A 55 2.956 18.051 -2.824 1.00 22.43 C ATOM 820 OG1 THR A 55 2.903 19.479 -2.672 1.00 34.24 O ATOM 821 CG2 THR A 55 1.619 17.446 -2.335 1.00 64.13 C ATOM 0 H THR A 55 4.005 16.787 -0.067 1.00 73.42 H new ATOM 0 HA THR A 55 4.071 16.353 -2.175 1.00 55.22 H new ATOM 0 HB THR A 55 3.098 17.808 -3.877 1.00 22.43 H new ATOM 0 HG1 THR A 55 3.417 19.743 -1.880 1.00 34.24 H new ATOM 0 HG21 THR A 55 0.793 17.894 -2.888 1.00 64.13 H new ATOM 0 HG22 THR A 55 1.625 16.369 -2.501 1.00 64.13 H new ATOM 0 HG23 THR A 55 1.495 17.649 -1.271 1.00 64.13 H new ATOM 829 N ASP A 56 5.694 19.080 -3.121 1.00 5.44 N ATOM 830 CA ASP A 56 6.903 19.615 -3.803 1.00 43.22 C ATOM 831 C ASP A 56 7.279 18.783 -5.077 1.00 52.53 C ATOM 832 O ASP A 56 7.067 19.231 -6.207 1.00 10.32 O ATOM 833 CB ASP A 56 8.086 19.740 -2.795 1.00 32.43 C ATOM 834 CG ASP A 56 9.316 20.431 -3.403 1.00 1.00 C ATOM 835 OD1 ASP A 56 9.346 21.676 -3.446 1.00 33.15 O ATOM 836 OD2 ASP A 56 10.248 19.735 -3.864 1.00 72.23 O ATOM 0 H ASP A 56 4.956 19.777 -3.022 1.00 5.44 H new ATOM 0 HA ASP A 56 6.673 20.617 -4.164 1.00 43.22 H new ATOM 0 HB2 ASP A 56 7.755 20.301 -1.921 1.00 32.43 H new ATOM 0 HB3 ASP A 56 8.368 18.746 -2.448 1.00 32.43 H new ATOM 841 N MET A 57 7.851 17.586 -4.864 1.00 54.42 N ATOM 842 CA MET A 57 8.113 16.582 -5.924 1.00 71.01 C ATOM 843 C MET A 57 7.982 15.148 -5.351 1.00 4.43 C ATOM 844 O MET A 57 7.407 14.252 -5.993 1.00 13.15 O ATOM 845 CB MET A 57 9.539 16.774 -6.521 1.00 30.40 C ATOM 846 CG MET A 57 9.886 15.812 -7.675 1.00 51.33 C ATOM 847 SD MET A 57 11.627 15.887 -8.166 1.00 64.43 S ATOM 848 CE MET A 57 12.453 15.294 -6.683 1.00 44.24 C ATOM 0 H MET A 57 8.151 17.279 -3.939 1.00 54.42 H new ATOM 0 HA MET A 57 7.376 16.723 -6.714 1.00 71.01 H new ATOM 0 HB2 MET A 57 9.634 17.799 -6.879 1.00 30.40 H new ATOM 0 HB3 MET A 57 10.272 16.645 -5.725 1.00 30.40 H new ATOM 0 HG2 MET A 57 9.643 14.793 -7.375 1.00 51.33 H new ATOM 0 HG3 MET A 57 9.262 16.048 -8.537 1.00 51.33 H new ATOM 0 HE1 MET A 57 13.456 14.952 -6.937 1.00 44.24 H new ATOM 0 HE2 MET A 57 12.519 16.103 -5.955 1.00 44.24 H new ATOM 0 HE3 MET A 57 11.885 14.467 -6.256 1.00 44.24 H new ATOM 858 N LYS A 58 8.517 14.968 -4.120 1.00 51.01 N ATOM 859 CA LYS A 58 8.686 13.649 -3.461 1.00 62.44 C ATOM 860 C LYS A 58 7.374 12.830 -3.355 1.00 24.34 C ATOM 861 O LYS A 58 7.395 11.627 -3.585 1.00 23.42 O ATOM 862 CB LYS A 58 9.339 13.823 -2.053 1.00 34.22 C ATOM 863 CG LYS A 58 8.547 14.703 -1.054 1.00 24.31 C ATOM 864 CD LYS A 58 9.262 14.870 0.316 1.00 45.21 C ATOM 865 CE LYS A 58 9.469 13.538 1.069 1.00 62.31 C ATOM 866 NZ LYS A 58 10.162 13.728 2.372 1.00 34.24 N ATOM 0 H LYS A 58 8.848 15.745 -3.548 1.00 51.01 H new ATOM 0 HA LYS A 58 9.349 13.071 -4.105 1.00 62.44 H new ATOM 0 HB2 LYS A 58 9.476 12.836 -1.611 1.00 34.22 H new ATOM 0 HB3 LYS A 58 10.331 14.255 -2.183 1.00 34.22 H new ATOM 0 HG2 LYS A 58 8.386 15.687 -1.495 1.00 24.31 H new ATOM 0 HG3 LYS A 58 7.564 14.262 -0.892 1.00 24.31 H new ATOM 0 HD2 LYS A 58 10.231 15.342 0.156 1.00 45.21 H new ATOM 0 HD3 LYS A 58 8.678 15.545 0.942 1.00 45.21 H new ATOM 0 HE2 LYS A 58 8.502 13.066 1.240 1.00 62.31 H new ATOM 0 HE3 LYS A 58 10.050 12.858 0.447 1.00 62.31 H new ATOM 0 HZ1 LYS A 58 10.279 12.807 2.841 1.00 34.24 H new ATOM 0 HZ2 LYS A 58 11.097 14.154 2.209 1.00 34.24 H new ATOM 0 HZ3 LYS A 58 9.596 14.356 2.978 1.00 34.24 H new ATOM 880 N TYR A 59 6.240 13.489 -3.034 1.00 4.34 N ATOM 881 CA TYR A 59 4.937 12.793 -2.848 1.00 42.03 C ATOM 882 C TYR A 59 4.495 12.035 -4.113 1.00 23.42 C ATOM 883 O TYR A 59 4.173 10.854 -4.048 1.00 4.31 O ATOM 884 CB TYR A 59 3.843 13.791 -2.390 1.00 5.31 C ATOM 885 CG TYR A 59 2.443 13.170 -2.169 1.00 4.12 C ATOM 886 CD1 TYR A 59 2.235 12.182 -1.198 1.00 62.22 C ATOM 887 CD2 TYR A 59 1.337 13.561 -2.937 1.00 2.22 C ATOM 888 CE1 TYR A 59 0.989 11.615 -1.003 1.00 31.50 C ATOM 889 CE2 TYR A 59 0.091 12.994 -2.743 1.00 11.11 C ATOM 890 CZ TYR A 59 -0.080 12.023 -1.777 1.00 14.35 C ATOM 891 OH TYR A 59 -1.327 11.459 -1.589 1.00 3.11 O ATOM 0 H TYR A 59 6.195 14.499 -2.897 1.00 4.34 H new ATOM 0 HA TYR A 59 5.079 12.048 -2.065 1.00 42.03 H new ATOM 0 HB2 TYR A 59 4.167 14.260 -1.461 1.00 5.31 H new ATOM 0 HB3 TYR A 59 3.759 14.582 -3.135 1.00 5.31 H new ATOM 0 HD1 TYR A 59 3.065 11.856 -0.589 1.00 62.22 H new ATOM 0 HD2 TYR A 59 1.461 14.320 -3.695 1.00 2.22 H new ATOM 0 HE1 TYR A 59 0.852 10.855 -0.248 1.00 31.50 H new ATOM 0 HE2 TYR A 59 -0.747 13.310 -3.346 1.00 11.11 H new ATOM 0 HH TYR A 59 -1.702 11.770 -0.739 1.00 3.11 H new ATOM 901 N LYS A 60 4.542 12.726 -5.254 1.00 3.30 N ATOM 902 CA LYS A 60 4.093 12.183 -6.553 1.00 24.15 C ATOM 903 C LYS A 60 4.931 10.953 -6.981 1.00 31.40 C ATOM 904 O LYS A 60 4.382 9.935 -7.393 1.00 72.43 O ATOM 905 CB LYS A 60 4.160 13.308 -7.613 1.00 4.41 C ATOM 906 CG LYS A 60 3.327 14.556 -7.234 1.00 64.14 C ATOM 907 CD LYS A 60 3.491 15.725 -8.224 1.00 51.12 C ATOM 908 CE LYS A 60 2.649 16.944 -7.815 1.00 70.23 C ATOM 909 NZ LYS A 60 2.777 18.070 -8.779 1.00 22.23 N ATOM 0 H LYS A 60 4.893 13.682 -5.311 1.00 3.30 H new ATOM 0 HA LYS A 60 3.064 11.835 -6.457 1.00 24.15 H new ATOM 0 HB2 LYS A 60 5.200 13.603 -7.755 1.00 4.41 H new ATOM 0 HB3 LYS A 60 3.806 12.920 -8.568 1.00 4.41 H new ATOM 0 HG2 LYS A 60 2.274 14.279 -7.182 1.00 64.14 H new ATOM 0 HG3 LYS A 60 3.618 14.889 -6.238 1.00 64.14 H new ATOM 0 HD2 LYS A 60 4.542 16.011 -8.278 1.00 51.12 H new ATOM 0 HD3 LYS A 60 3.198 15.399 -9.222 1.00 51.12 H new ATOM 0 HE2 LYS A 60 1.602 16.650 -7.740 1.00 70.23 H new ATOM 0 HE3 LYS A 60 2.958 17.280 -6.825 1.00 70.23 H new ATOM 0 HZ1 LYS A 60 2.191 18.868 -8.460 1.00 22.23 H new ATOM 0 HZ2 LYS A 60 3.771 18.370 -8.832 1.00 22.23 H new ATOM 0 HZ3 LYS A 60 2.458 17.760 -9.719 1.00 22.23 H new ATOM 923 N ASN A 61 6.267 11.052 -6.823 1.00 70.03 N ATOM 924 CA ASN A 61 7.219 9.961 -7.164 1.00 52.51 C ATOM 925 C ASN A 61 7.061 8.735 -6.217 1.00 55.00 C ATOM 926 O ASN A 61 7.069 7.582 -6.668 1.00 15.14 O ATOM 927 CB ASN A 61 8.677 10.499 -7.107 1.00 34.24 C ATOM 928 CG ASN A 61 8.963 11.632 -8.111 1.00 1.02 C ATOM 929 OD1 ASN A 61 8.082 12.399 -8.482 1.00 41.11 O ATOM 930 ND2 ASN A 61 10.196 11.754 -8.547 1.00 73.34 N ATOM 0 H ASN A 61 6.722 11.888 -6.456 1.00 70.03 H new ATOM 0 HA ASN A 61 6.992 9.623 -8.175 1.00 52.51 H new ATOM 0 HB2 ASN A 61 8.882 10.860 -6.099 1.00 34.24 H new ATOM 0 HB3 ASN A 61 9.366 9.676 -7.297 1.00 34.24 H new ATOM 0 HD21 ASN A 61 10.433 12.496 -9.205 1.00 73.34 H new ATOM 0 HD22 ASN A 61 10.916 11.106 -8.227 1.00 73.34 H new ATOM 937 N ARG A 62 6.917 9.008 -4.904 1.00 11.11 N ATOM 938 CA ARG A 62 6.754 7.958 -3.855 1.00 41.34 C ATOM 939 C ARG A 62 5.438 7.167 -4.037 1.00 62.25 C ATOM 940 O ARG A 62 5.397 5.959 -3.774 1.00 11.52 O ATOM 941 CB ARG A 62 6.837 8.588 -2.421 1.00 12.05 C ATOM 942 CG ARG A 62 8.259 8.640 -1.798 1.00 21.14 C ATOM 943 CD ARG A 62 9.319 9.317 -2.688 1.00 74.31 C ATOM 944 NE ARG A 62 10.629 9.398 -2.012 1.00 1.01 N ATOM 945 CZ ARG A 62 11.791 9.051 -2.526 1.00 52.22 C ATOM 946 NH1 ARG A 62 11.888 8.590 -3.728 1.00 72.25 N ATOM 947 NH2 ARG A 62 12.862 9.181 -1.817 1.00 11.01 N ATOM 0 H ARG A 62 6.909 9.958 -4.533 1.00 11.11 H new ATOM 0 HA ARG A 62 7.576 7.251 -3.967 1.00 41.34 H new ATOM 0 HB2 ARG A 62 6.440 9.602 -2.465 1.00 12.05 H new ATOM 0 HB3 ARG A 62 6.187 8.020 -1.755 1.00 12.05 H new ATOM 0 HG2 ARG A 62 8.207 9.171 -0.848 1.00 21.14 H new ATOM 0 HG3 ARG A 62 8.583 7.623 -1.577 1.00 21.14 H new ATOM 0 HD2 ARG A 62 9.424 8.759 -3.618 1.00 74.31 H new ATOM 0 HD3 ARG A 62 8.984 10.320 -2.954 1.00 74.31 H new ATOM 0 HE ARG A 62 10.635 9.756 -1.057 1.00 1.01 H new ATOM 0 HH11 ARG A 62 11.052 8.487 -4.304 1.00 72.25 H new ATOM 0 HH12 ARG A 62 12.800 8.329 -4.102 1.00 72.25 H new ATOM 0 HH21 ARG A 62 12.804 9.550 -0.868 1.00 11.01 H new ATOM 0 HH22 ARG A 62 13.767 8.915 -2.206 1.00 11.01 H new ATOM 961 N VAL A 63 4.376 7.862 -4.485 1.00 2.23 N ATOM 962 CA VAL A 63 3.092 7.219 -4.832 1.00 5.12 C ATOM 963 C VAL A 63 3.269 6.263 -6.034 1.00 54.13 C ATOM 964 O VAL A 63 2.853 5.118 -5.958 1.00 12.43 O ATOM 965 CB VAL A 63 1.958 8.276 -5.122 1.00 24.40 C ATOM 966 CG1 VAL A 63 0.678 7.611 -5.696 1.00 44.34 C ATOM 967 CG2 VAL A 63 1.628 9.079 -3.838 1.00 13.33 C ATOM 0 H VAL A 63 4.381 8.874 -4.616 1.00 2.23 H new ATOM 0 HA VAL A 63 2.776 6.638 -3.965 1.00 5.12 H new ATOM 0 HB VAL A 63 2.334 8.962 -5.881 1.00 24.40 H new ATOM 0 HG11 VAL A 63 -0.077 8.375 -5.881 1.00 44.34 H new ATOM 0 HG12 VAL A 63 0.919 7.105 -6.631 1.00 44.34 H new ATOM 0 HG13 VAL A 63 0.292 6.886 -4.980 1.00 44.34 H new ATOM 0 HG21 VAL A 63 0.844 9.804 -4.054 1.00 13.33 H new ATOM 0 HG22 VAL A 63 1.287 8.396 -3.060 1.00 13.33 H new ATOM 0 HG23 VAL A 63 2.521 9.602 -3.496 1.00 13.33 H new ATOM 977 N ARG A 64 3.920 6.746 -7.117 1.00 72.32 N ATOM 978 CA ARG A 64 4.215 5.933 -8.340 1.00 61.44 C ATOM 979 C ARG A 64 4.952 4.607 -8.001 1.00 65.13 C ATOM 980 O ARG A 64 4.644 3.544 -8.559 1.00 2.44 O ATOM 981 CB ARG A 64 5.064 6.775 -9.333 1.00 60.04 C ATOM 982 CG ARG A 64 4.342 8.021 -9.895 1.00 51.25 C ATOM 983 CD ARG A 64 5.286 8.975 -10.646 1.00 10.10 C ATOM 984 NE ARG A 64 4.555 10.130 -11.194 1.00 22.05 N ATOM 985 CZ ARG A 64 4.892 11.393 -11.070 1.00 20.24 C ATOM 986 NH1 ARG A 64 5.927 11.761 -10.380 1.00 22.52 N ATOM 987 NH2 ARG A 64 4.174 12.291 -11.639 1.00 73.52 N ATOM 0 H ARG A 64 4.259 7.706 -7.177 1.00 72.32 H new ATOM 0 HA ARG A 64 3.263 5.665 -8.798 1.00 61.44 H new ATOM 0 HB2 ARG A 64 5.977 7.095 -8.831 1.00 60.04 H new ATOM 0 HB3 ARG A 64 5.365 6.138 -10.165 1.00 60.04 H new ATOM 0 HG2 ARG A 64 3.547 7.701 -10.569 1.00 51.25 H new ATOM 0 HG3 ARG A 64 3.867 8.560 -9.075 1.00 51.25 H new ATOM 0 HD2 ARG A 64 6.067 9.324 -9.970 1.00 10.10 H new ATOM 0 HD3 ARG A 64 5.781 8.438 -11.455 1.00 10.10 H new ATOM 0 HE ARG A 64 3.705 9.930 -11.721 1.00 22.05 H new ATOM 0 HH11 ARG A 64 6.505 11.061 -9.915 1.00 22.52 H new ATOM 0 HH12 ARG A 64 6.163 12.750 -10.303 1.00 22.52 H new ATOM 0 HH21 ARG A 64 3.353 12.020 -12.180 1.00 73.52 H new ATOM 0 HH22 ARG A 64 4.425 13.276 -11.551 1.00 73.52 H new ATOM 1001 N SER A 65 5.917 4.696 -7.069 1.00 71.34 N ATOM 1002 CA SER A 65 6.654 3.522 -6.550 1.00 33.11 C ATOM 1003 C SER A 65 5.733 2.602 -5.713 1.00 11.43 C ATOM 1004 O SER A 65 5.779 1.381 -5.860 1.00 4.01 O ATOM 1005 CB SER A 65 7.858 3.980 -5.689 1.00 31.50 C ATOM 1006 OG SER A 65 8.769 4.762 -6.446 1.00 40.02 O ATOM 0 H SER A 65 6.210 5.580 -6.653 1.00 71.34 H new ATOM 0 HA SER A 65 7.017 2.954 -7.407 1.00 33.11 H new ATOM 0 HB2 SER A 65 7.499 4.559 -4.838 1.00 31.50 H new ATOM 0 HB3 SER A 65 8.372 3.107 -5.287 1.00 31.50 H new ATOM 0 HG SER A 65 8.403 5.663 -6.570 1.00 40.02 H new ATOM 1012 N ARG A 66 4.880 3.209 -4.856 1.00 13.21 N ATOM 1013 CA ARG A 66 3.991 2.456 -3.923 1.00 15.31 C ATOM 1014 C ARG A 66 2.862 1.705 -4.675 1.00 44.40 C ATOM 1015 O ARG A 66 2.452 0.629 -4.248 1.00 21.33 O ATOM 1016 CB ARG A 66 3.406 3.401 -2.806 1.00 10.41 C ATOM 1017 CG ARG A 66 3.661 2.917 -1.351 1.00 22.02 C ATOM 1018 CD ARG A 66 5.167 2.836 -1.024 1.00 24.22 C ATOM 1019 NE ARG A 66 5.430 2.327 0.335 1.00 62.14 N ATOM 1020 CZ ARG A 66 6.619 2.261 0.907 1.00 24.44 C ATOM 1021 NH1 ARG A 66 7.688 2.675 0.308 1.00 33.40 N ATOM 1022 NH2 ARG A 66 6.732 1.777 2.090 1.00 21.02 N ATOM 0 H ARG A 66 4.784 4.222 -4.787 1.00 13.21 H new ATOM 0 HA ARG A 66 4.605 1.700 -3.434 1.00 15.31 H new ATOM 0 HB2 ARG A 66 3.838 4.394 -2.926 1.00 10.41 H new ATOM 0 HB3 ARG A 66 2.331 3.501 -2.959 1.00 10.41 H new ATOM 0 HG2 ARG A 66 3.174 3.597 -0.652 1.00 22.02 H new ATOM 0 HG3 ARG A 66 3.206 1.936 -1.210 1.00 22.02 H new ATOM 0 HD2 ARG A 66 5.658 2.189 -1.751 1.00 24.22 H new ATOM 0 HD3 ARG A 66 5.611 3.826 -1.128 1.00 24.22 H new ATOM 0 HE ARG A 66 4.630 2.000 0.877 1.00 62.14 H new ATOM 0 HH11 ARG A 66 7.627 3.066 -0.632 1.00 33.40 H new ATOM 0 HH12 ARG A 66 8.592 2.611 0.776 1.00 33.40 H new ATOM 0 HH21 ARG A 66 5.905 1.445 2.586 1.00 21.02 H new ATOM 0 HH22 ARG A 66 7.649 1.725 2.534 1.00 21.02 H new ATOM 1036 N ILE A 67 2.376 2.291 -5.792 1.00 1.21 N ATOM 1037 CA ILE A 67 1.416 1.630 -6.714 1.00 61.23 C ATOM 1038 C ILE A 67 2.063 0.347 -7.268 1.00 31.33 C ATOM 1039 O ILE A 67 1.507 -0.740 -7.140 1.00 41.35 O ATOM 1040 CB ILE A 67 1.009 2.566 -7.929 1.00 70.00 C ATOM 1041 CG1 ILE A 67 0.367 3.902 -7.437 1.00 55.31 C ATOM 1042 CG2 ILE A 67 0.045 1.840 -8.914 1.00 72.31 C ATOM 1043 CD1 ILE A 67 0.235 4.971 -8.511 1.00 2.04 C ATOM 0 H ILE A 67 2.636 3.234 -6.082 1.00 1.21 H new ATOM 0 HA ILE A 67 0.511 1.405 -6.150 1.00 61.23 H new ATOM 0 HB ILE A 67 1.929 2.805 -8.462 1.00 70.00 H new ATOM 0 HG12 ILE A 67 -0.622 3.688 -7.032 1.00 55.31 H new ATOM 0 HG13 ILE A 67 0.967 4.299 -6.619 1.00 55.31 H new ATOM 0 HG21 ILE A 67 -0.212 2.512 -9.733 1.00 72.31 H new ATOM 0 HG22 ILE A 67 0.534 0.952 -9.313 1.00 72.31 H new ATOM 0 HG23 ILE A 67 -0.863 1.548 -8.386 1.00 72.31 H new ATOM 0 HD11 ILE A 67 -0.220 5.864 -8.082 1.00 2.04 H new ATOM 0 HD12 ILE A 67 1.222 5.219 -8.901 1.00 2.04 H new ATOM 0 HD13 ILE A 67 -0.392 4.598 -9.321 1.00 2.04 H new ATOM 1055 N SER A 68 3.282 0.519 -7.832 1.00 41.25 N ATOM 1056 CA SER A 68 4.115 -0.577 -8.392 1.00 21.03 C ATOM 1057 C SER A 68 4.370 -1.709 -7.363 1.00 3.20 C ATOM 1058 O SER A 68 4.399 -2.880 -7.726 1.00 61.30 O ATOM 1059 CB SER A 68 5.459 0.010 -8.899 1.00 42.02 C ATOM 1060 OG SER A 68 6.340 -0.994 -9.381 1.00 3.25 O ATOM 0 H SER A 68 3.723 1.435 -7.913 1.00 41.25 H new ATOM 0 HA SER A 68 3.569 -1.026 -9.222 1.00 21.03 H new ATOM 0 HB2 SER A 68 5.262 0.729 -9.694 1.00 42.02 H new ATOM 0 HB3 SER A 68 5.943 0.556 -8.089 1.00 42.02 H new ATOM 0 HG SER A 68 7.172 -0.578 -9.691 1.00 3.25 H new ATOM 1066 N ASN A 69 4.535 -1.336 -6.081 1.00 32.32 N ATOM 1067 CA ASN A 69 4.727 -2.297 -4.964 1.00 73.23 C ATOM 1068 C ASN A 69 3.398 -2.996 -4.552 1.00 71.04 C ATOM 1069 O ASN A 69 3.395 -4.167 -4.164 1.00 41.24 O ATOM 1070 CB ASN A 69 5.357 -1.574 -3.743 1.00 20.54 C ATOM 1071 CG ASN A 69 6.755 -1.000 -4.020 1.00 45.25 C ATOM 1072 OD1 ASN A 69 7.121 0.053 -3.501 1.00 43.14 O ATOM 1073 ND2 ASN A 69 7.568 -1.696 -4.803 1.00 20.10 N ATOM 0 H ASN A 69 4.540 -0.360 -5.783 1.00 32.32 H new ATOM 0 HA ASN A 69 5.404 -3.076 -5.315 1.00 73.23 H new ATOM 0 HB2 ASN A 69 4.697 -0.765 -3.431 1.00 20.54 H new ATOM 0 HB3 ASN A 69 5.420 -2.274 -2.910 1.00 20.54 H new ATOM 0 HD21 ASN A 69 8.514 -1.360 -4.983 1.00 20.10 H new ATOM 0 HD22 ASN A 69 7.247 -2.567 -5.225 1.00 20.10 H new ATOM 1080 N LEU A 70 2.268 -2.273 -4.663 1.00 72.14 N ATOM 1081 CA LEU A 70 0.936 -2.789 -4.246 1.00 24.22 C ATOM 1082 C LEU A 70 0.229 -3.560 -5.387 1.00 32.13 C ATOM 1083 O LEU A 70 -0.850 -4.112 -5.187 1.00 51.52 O ATOM 1084 CB LEU A 70 0.039 -1.624 -3.732 1.00 53.14 C ATOM 1085 CG LEU A 70 0.415 -1.014 -2.345 1.00 44.42 C ATOM 1086 CD1 LEU A 70 -0.504 0.181 -1.992 1.00 73.20 C ATOM 1087 CD2 LEU A 70 0.368 -2.100 -1.248 1.00 25.42 C ATOM 0 H LEU A 70 2.244 -1.325 -5.039 1.00 72.14 H new ATOM 0 HA LEU A 70 1.099 -3.496 -3.432 1.00 24.22 H new ATOM 0 HB2 LEU A 70 0.060 -0.825 -4.473 1.00 53.14 H new ATOM 0 HB3 LEU A 70 -0.989 -1.983 -3.679 1.00 53.14 H new ATOM 0 HG LEU A 70 1.435 -0.634 -2.404 1.00 44.42 H new ATOM 0 HD11 LEU A 70 -0.218 0.585 -1.021 1.00 73.20 H new ATOM 0 HD12 LEU A 70 -0.401 0.956 -2.752 1.00 73.20 H new ATOM 0 HD13 LEU A 70 -1.540 -0.155 -1.954 1.00 73.20 H new ATOM 0 HD21 LEU A 70 0.633 -1.658 -0.287 1.00 25.42 H new ATOM 0 HD22 LEU A 70 -0.638 -2.517 -1.191 1.00 25.42 H new ATOM 0 HD23 LEU A 70 1.076 -2.893 -1.490 1.00 25.42 H new ATOM 1099 N LYS A 71 0.828 -3.549 -6.590 1.00 52.21 N ATOM 1100 CA LYS A 71 0.366 -4.356 -7.751 1.00 45.41 C ATOM 1101 C LYS A 71 1.495 -5.299 -8.237 1.00 45.24 C ATOM 1102 O LYS A 71 1.394 -5.897 -9.315 1.00 3.34 O ATOM 1103 CB LYS A 71 -0.090 -3.409 -8.898 1.00 51.31 C ATOM 1104 CG LYS A 71 1.056 -2.621 -9.586 1.00 51.01 C ATOM 1105 CD LYS A 71 0.548 -1.497 -10.516 1.00 41.40 C ATOM 1106 CE LYS A 71 -0.436 -1.999 -11.574 1.00 53.11 C ATOM 1107 NZ LYS A 71 -0.892 -0.902 -12.472 1.00 72.40 N ATOM 0 H LYS A 71 1.650 -2.981 -6.793 1.00 52.21 H new ATOM 0 HA LYS A 71 -0.480 -4.971 -7.444 1.00 45.41 H new ATOM 0 HB2 LYS A 71 -0.610 -3.999 -9.652 1.00 51.31 H new ATOM 0 HB3 LYS A 71 -0.812 -2.697 -8.497 1.00 51.31 H new ATOM 0 HG2 LYS A 71 1.700 -2.188 -8.821 1.00 51.01 H new ATOM 0 HG3 LYS A 71 1.668 -3.313 -10.164 1.00 51.01 H new ATOM 0 HD2 LYS A 71 0.066 -0.726 -9.915 1.00 41.40 H new ATOM 0 HD3 LYS A 71 1.399 -1.030 -11.011 1.00 41.40 H new ATOM 0 HE2 LYS A 71 0.037 -2.781 -12.168 1.00 53.11 H new ATOM 0 HE3 LYS A 71 -1.299 -2.449 -11.083 1.00 53.11 H new ATOM 0 HZ1 LYS A 71 -1.557 -1.283 -13.175 1.00 72.40 H new ATOM 0 HZ2 LYS A 71 -1.366 -0.167 -11.909 1.00 72.40 H new ATOM 0 HZ3 LYS A 71 -0.072 -0.489 -12.960 1.00 72.40 H new ATOM 1121 N ASP A 72 2.531 -5.473 -7.389 1.00 13.33 N ATOM 1122 CA ASP A 72 3.836 -6.040 -7.796 1.00 51.23 C ATOM 1123 C ASP A 72 3.740 -7.502 -8.296 1.00 25.21 C ATOM 1124 O ASP A 72 3.086 -8.356 -7.684 1.00 64.42 O ATOM 1125 CB ASP A 72 4.844 -5.932 -6.611 1.00 22.10 C ATOM 1126 CG ASP A 72 6.306 -6.280 -6.965 1.00 24.25 C ATOM 1127 OD1 ASP A 72 6.688 -6.224 -8.153 1.00 21.54 O ATOM 1128 OD2 ASP A 72 7.081 -6.607 -6.051 1.00 61.52 O ATOM 0 H ASP A 72 2.487 -5.224 -6.401 1.00 13.33 H new ATOM 0 HA ASP A 72 4.190 -5.454 -8.644 1.00 51.23 H new ATOM 0 HB2 ASP A 72 4.813 -4.916 -6.219 1.00 22.10 H new ATOM 0 HB3 ASP A 72 4.513 -6.593 -5.810 1.00 22.10 H new ATOM 1133 N ALA A 73 4.404 -7.745 -9.443 1.00 31.01 N ATOM 1134 CA ALA A 73 4.513 -9.069 -10.072 1.00 33.24 C ATOM 1135 C ALA A 73 5.561 -9.935 -9.354 1.00 52.11 C ATOM 1136 O ALA A 73 5.386 -11.150 -9.209 1.00 32.31 O ATOM 1137 CB ALA A 73 4.882 -8.911 -11.554 1.00 53.40 C ATOM 0 H ALA A 73 4.886 -7.013 -9.964 1.00 31.01 H new ATOM 0 HA ALA A 73 3.548 -9.570 -9.992 1.00 33.24 H new ATOM 0 HB1 ALA A 73 4.962 -9.895 -12.016 1.00 53.40 H new ATOM 0 HB2 ALA A 73 4.110 -8.333 -12.062 1.00 53.40 H new ATOM 0 HB3 ALA A 73 5.837 -8.392 -11.638 1.00 53.40 H new ATOM 1143 N LYS A 74 6.646 -9.281 -8.902 1.00 43.14 N ATOM 1144 CA LYS A 74 7.770 -9.953 -8.236 1.00 72.13 C ATOM 1145 C LYS A 74 7.343 -10.510 -6.858 1.00 23.12 C ATOM 1146 O LYS A 74 7.595 -11.680 -6.536 1.00 34.44 O ATOM 1147 CB LYS A 74 8.961 -8.968 -8.073 1.00 1.20 C ATOM 1148 CG LYS A 74 10.225 -9.622 -7.487 1.00 41.35 C ATOM 1149 CD LYS A 74 10.791 -10.719 -8.416 1.00 24.31 C ATOM 1150 CE LYS A 74 11.868 -11.562 -7.738 1.00 70.53 C ATOM 1151 NZ LYS A 74 12.473 -12.539 -8.675 1.00 0.04 N ATOM 0 H LYS A 74 6.766 -8.272 -8.989 1.00 43.14 H new ATOM 0 HA LYS A 74 8.085 -10.791 -8.858 1.00 72.13 H new ATOM 0 HB2 LYS A 74 9.202 -8.538 -9.045 1.00 1.20 H new ATOM 0 HB3 LYS A 74 8.655 -8.145 -7.427 1.00 1.20 H new ATOM 0 HG2 LYS A 74 10.985 -8.859 -7.322 1.00 41.35 H new ATOM 0 HG3 LYS A 74 9.992 -10.055 -6.514 1.00 41.35 H new ATOM 0 HD2 LYS A 74 9.979 -11.368 -8.743 1.00 24.31 H new ATOM 0 HD3 LYS A 74 11.207 -10.254 -9.310 1.00 24.31 H new ATOM 0 HE2 LYS A 74 12.645 -10.909 -7.342 1.00 70.53 H new ATOM 0 HE3 LYS A 74 11.435 -12.092 -6.890 1.00 70.53 H new ATOM 0 HZ1 LYS A 74 13.200 -13.093 -8.178 1.00 0.04 H new ATOM 0 HZ2 LYS A 74 11.736 -13.179 -9.034 1.00 0.04 H new ATOM 0 HZ3 LYS A 74 12.909 -12.032 -9.472 1.00 0.04 H new ATOM 1165 N ASN A 75 6.694 -9.653 -6.060 1.00 32.42 N ATOM 1166 CA ASN A 75 6.124 -10.018 -4.749 1.00 22.42 C ATOM 1167 C ASN A 75 4.577 -9.869 -4.789 1.00 5.15 C ATOM 1168 O ASN A 75 4.047 -8.776 -4.531 1.00 42.11 O ATOM 1169 CB ASN A 75 6.732 -9.132 -3.629 1.00 10.23 C ATOM 1170 CG ASN A 75 8.255 -9.203 -3.562 1.00 24.32 C ATOM 1171 OD1 ASN A 75 8.820 -10.052 -2.885 1.00 10.23 O ATOM 1172 ND2 ASN A 75 8.934 -8.318 -4.270 1.00 62.31 N ATOM 0 H ASN A 75 6.546 -8.674 -6.306 1.00 32.42 H new ATOM 0 HA ASN A 75 6.371 -11.057 -4.530 1.00 22.42 H new ATOM 0 HB2 ASN A 75 6.430 -8.097 -3.790 1.00 10.23 H new ATOM 0 HB3 ASN A 75 6.318 -9.439 -2.668 1.00 10.23 H new ATOM 0 HD21 ASN A 75 9.954 -8.332 -4.261 1.00 62.31 H new ATOM 0 HD22 ASN A 75 8.438 -7.621 -4.826 1.00 62.31 H new ATOM 1179 N PRO A 76 3.818 -10.951 -5.166 1.00 2.00 N ATOM 1180 CA PRO A 76 2.335 -10.959 -5.058 1.00 10.14 C ATOM 1181 C PRO A 76 1.877 -10.975 -3.579 1.00 75.24 C ATOM 1182 O PRO A 76 0.821 -10.445 -3.233 1.00 22.12 O ATOM 1183 CB PRO A 76 1.926 -12.261 -5.797 1.00 73.42 C ATOM 1184 CG PRO A 76 3.128 -13.153 -5.682 1.00 4.24 C ATOM 1185 CD PRO A 76 4.329 -12.232 -5.736 1.00 1.05 C ATOM 0 HA PRO A 76 1.873 -10.069 -5.486 1.00 10.14 H new ATOM 0 HB2 PRO A 76 1.048 -12.717 -5.340 1.00 73.42 H new ATOM 0 HB3 PRO A 76 1.677 -12.064 -6.840 1.00 73.42 H new ATOM 0 HG2 PRO A 76 3.109 -13.717 -4.750 1.00 4.24 H new ATOM 0 HG3 PRO A 76 3.155 -13.880 -6.494 1.00 4.24 H new ATOM 0 HD2 PRO A 76 5.162 -12.626 -5.153 1.00 1.05 H new ATOM 0 HD3 PRO A 76 4.688 -12.101 -6.757 1.00 1.05 H new ATOM 1193 N ASP A 77 2.721 -11.578 -2.718 1.00 42.11 N ATOM 1194 CA ASP A 77 2.487 -11.657 -1.270 1.00 74.04 C ATOM 1195 C ASP A 77 2.639 -10.284 -0.575 1.00 14.52 C ATOM 1196 O ASP A 77 2.122 -10.098 0.513 1.00 53.12 O ATOM 1197 CB ASP A 77 3.443 -12.698 -0.646 1.00 41.03 C ATOM 1198 CG ASP A 77 3.263 -14.092 -1.267 1.00 30.40 C ATOM 1199 OD1 ASP A 77 2.376 -14.847 -0.812 1.00 51.05 O ATOM 1200 OD2 ASP A 77 3.986 -14.422 -2.232 1.00 65.25 O ATOM 0 H ASP A 77 3.589 -12.025 -3.014 1.00 42.11 H new ATOM 0 HA ASP A 77 1.455 -11.972 -1.114 1.00 74.04 H new ATOM 0 HB2 ASP A 77 4.474 -12.371 -0.783 1.00 41.03 H new ATOM 0 HB3 ASP A 77 3.266 -12.754 0.428 1.00 41.03 H new ATOM 1205 N LEU A 78 3.333 -9.327 -1.222 1.00 63.40 N ATOM 1206 CA LEU A 78 3.554 -7.965 -0.667 1.00 24.14 C ATOM 1207 C LEU A 78 2.211 -7.220 -0.413 1.00 50.22 C ATOM 1208 O LEU A 78 1.943 -6.770 0.706 1.00 53.35 O ATOM 1209 CB LEU A 78 4.470 -7.159 -1.632 1.00 52.32 C ATOM 1210 CG LEU A 78 4.898 -5.727 -1.184 1.00 63.33 C ATOM 1211 CD1 LEU A 78 5.507 -5.755 0.227 1.00 40.34 C ATOM 1212 CD2 LEU A 78 5.886 -5.100 -2.205 1.00 12.03 C ATOM 0 H LEU A 78 3.756 -9.469 -2.139 1.00 63.40 H new ATOM 0 HA LEU A 78 4.046 -8.059 0.301 1.00 24.14 H new ATOM 0 HB2 LEU A 78 5.374 -7.743 -1.805 1.00 52.32 H new ATOM 0 HB3 LEU A 78 3.958 -7.074 -2.590 1.00 52.32 H new ATOM 0 HG LEU A 78 4.006 -5.101 -1.153 1.00 63.33 H new ATOM 0 HD11 LEU A 78 5.798 -4.746 0.518 1.00 40.34 H new ATOM 0 HD12 LEU A 78 4.771 -6.138 0.934 1.00 40.34 H new ATOM 0 HD13 LEU A 78 6.385 -6.401 0.232 1.00 40.34 H new ATOM 0 HD21 LEU A 78 6.170 -4.102 -1.871 1.00 12.03 H new ATOM 0 HD22 LEU A 78 6.776 -5.724 -2.280 1.00 12.03 H new ATOM 0 HD23 LEU A 78 5.406 -5.033 -3.181 1.00 12.03 H new ATOM 1224 N ARG A 79 1.385 -7.125 -1.465 1.00 61.33 N ATOM 1225 CA ARG A 79 -0.002 -6.590 -1.372 1.00 11.51 C ATOM 1226 C ARG A 79 -0.925 -7.541 -0.563 1.00 3.30 C ATOM 1227 O ARG A 79 -1.716 -7.086 0.265 1.00 62.11 O ATOM 1228 CB ARG A 79 -0.585 -6.350 -2.797 1.00 44.24 C ATOM 1229 CG ARG A 79 -0.360 -7.515 -3.791 1.00 20.24 C ATOM 1230 CD ARG A 79 -1.037 -7.304 -5.162 1.00 53.22 C ATOM 1231 NE ARG A 79 -0.211 -7.826 -6.269 1.00 44.50 N ATOM 1232 CZ ARG A 79 -0.672 -8.287 -7.406 1.00 2.23 C ATOM 1233 NH1 ARG A 79 -1.929 -8.542 -7.566 1.00 72.33 N ATOM 1234 NH2 ARG A 79 0.150 -8.546 -8.360 1.00 14.24 N ATOM 0 H ARG A 79 1.649 -7.413 -2.407 1.00 61.33 H new ATOM 0 HA ARG A 79 0.042 -5.639 -0.842 1.00 11.51 H new ATOM 0 HB2 ARG A 79 -1.656 -6.165 -2.711 1.00 44.24 H new ATOM 0 HB3 ARG A 79 -0.138 -5.446 -3.210 1.00 44.24 H new ATOM 0 HG2 ARG A 79 0.711 -7.650 -3.942 1.00 20.24 H new ATOM 0 HG3 ARG A 79 -0.738 -8.436 -3.348 1.00 20.24 H new ATOM 0 HD2 ARG A 79 -2.008 -7.800 -5.168 1.00 53.22 H new ATOM 0 HD3 ARG A 79 -1.221 -6.241 -5.316 1.00 53.22 H new ATOM 0 HE ARG A 79 0.801 -7.828 -6.138 1.00 44.50 H new ATOM 0 HH11 ARG A 79 -2.583 -8.385 -6.799 1.00 72.33 H new ATOM 0 HH12 ARG A 79 -2.267 -8.900 -8.459 1.00 72.33 H new ATOM 0 HH21 ARG A 79 1.150 -8.392 -8.228 1.00 14.24 H new ATOM 0 HH22 ARG A 79 -0.197 -8.905 -9.249 1.00 14.24 H new ATOM 1248 N ARG A 80 -0.774 -8.864 -0.805 1.00 5.13 N ATOM 1249 CA ARG A 80 -1.591 -9.936 -0.176 1.00 3.33 C ATOM 1250 C ARG A 80 -1.530 -9.896 1.377 1.00 31.12 C ATOM 1251 O ARG A 80 -2.550 -10.064 2.037 1.00 72.20 O ATOM 1252 CB ARG A 80 -1.091 -11.309 -0.693 1.00 5.24 C ATOM 1253 CG ARG A 80 -1.833 -12.552 -0.152 1.00 33.31 C ATOM 1254 CD ARG A 80 -1.121 -13.866 -0.525 1.00 71.13 C ATOM 1255 NE ARG A 80 -1.760 -15.030 0.104 1.00 61.21 N ATOM 1256 CZ ARG A 80 -1.150 -16.143 0.458 1.00 21.03 C ATOM 1257 NH1 ARG A 80 0.129 -16.300 0.312 1.00 21.21 N ATOM 1258 NH2 ARG A 80 -1.833 -17.099 0.980 1.00 5.02 N ATOM 0 H ARG A 80 -0.072 -9.225 -1.451 1.00 5.13 H new ATOM 0 HA ARG A 80 -2.633 -9.777 -0.453 1.00 3.33 H new ATOM 0 HB2 ARG A 80 -1.164 -11.313 -1.781 1.00 5.24 H new ATOM 0 HB3 ARG A 80 -0.034 -11.405 -0.444 1.00 5.24 H new ATOM 0 HG2 ARG A 80 -1.914 -12.481 0.933 1.00 33.31 H new ATOM 0 HG3 ARG A 80 -2.849 -12.567 -0.547 1.00 33.31 H new ATOM 0 HD2 ARG A 80 -1.128 -13.989 -1.608 1.00 71.13 H new ATOM 0 HD3 ARG A 80 -0.077 -13.814 -0.217 1.00 71.13 H new ATOM 0 HE ARG A 80 -2.763 -14.971 0.282 1.00 61.21 H new ATOM 0 HH11 ARG A 80 0.693 -15.549 -0.087 1.00 21.21 H new ATOM 0 HH12 ARG A 80 0.571 -17.174 0.596 1.00 21.21 H new ATOM 0 HH21 ARG A 80 -2.838 -16.992 1.117 1.00 5.02 H new ATOM 0 HH22 ARG A 80 -1.370 -17.964 1.257 1.00 5.02 H new ATOM 1272 N ASN A 81 -0.324 -9.652 1.935 1.00 33.22 N ATOM 1273 CA ASN A 81 -0.104 -9.579 3.401 1.00 5.30 C ATOM 1274 C ASN A 81 -0.857 -8.382 4.026 1.00 21.30 C ATOM 1275 O ASN A 81 -1.423 -8.501 5.109 1.00 21.51 O ATOM 1276 CB ASN A 81 1.406 -9.460 3.739 1.00 73.51 C ATOM 1277 CG ASN A 81 2.261 -10.697 3.418 1.00 54.52 C ATOM 1278 OD1 ASN A 81 3.435 -10.577 3.074 1.00 2.05 O ATOM 1279 ND2 ASN A 81 1.711 -11.887 3.555 1.00 24.23 N ATOM 0 H ASN A 81 0.523 -9.500 1.387 1.00 33.22 H new ATOM 0 HA ASN A 81 -0.494 -10.505 3.823 1.00 5.30 H new ATOM 0 HB2 ASN A 81 1.815 -8.608 3.196 1.00 73.51 H new ATOM 0 HB3 ASN A 81 1.505 -9.238 4.802 1.00 73.51 H new ATOM 0 HD21 ASN A 81 2.261 -12.727 3.375 1.00 24.23 H new ATOM 0 HD22 ASN A 81 0.735 -11.968 3.841 1.00 24.23 H new ATOM 1286 N VAL A 82 -0.843 -7.232 3.329 1.00 30.32 N ATOM 1287 CA VAL A 82 -1.523 -5.996 3.792 1.00 44.20 C ATOM 1288 C VAL A 82 -3.061 -6.183 3.776 1.00 3.14 C ATOM 1289 O VAL A 82 -3.764 -5.797 4.720 1.00 62.30 O ATOM 1290 CB VAL A 82 -1.121 -4.759 2.910 1.00 31.54 C ATOM 1291 CG1 VAL A 82 -1.731 -3.440 3.454 1.00 1.11 C ATOM 1292 CG2 VAL A 82 0.416 -4.662 2.785 1.00 0.42 C ATOM 0 H VAL A 82 -0.365 -7.127 2.434 1.00 30.32 H new ATOM 0 HA VAL A 82 -1.200 -5.804 4.815 1.00 44.20 H new ATOM 0 HB VAL A 82 -1.536 -4.910 1.913 1.00 31.54 H new ATOM 0 HG11 VAL A 82 -1.429 -2.609 2.816 1.00 1.11 H new ATOM 0 HG12 VAL A 82 -2.818 -3.517 3.459 1.00 1.11 H new ATOM 0 HG13 VAL A 82 -1.375 -3.266 4.469 1.00 1.11 H new ATOM 0 HG21 VAL A 82 0.677 -3.800 2.171 1.00 0.42 H new ATOM 0 HG22 VAL A 82 0.855 -4.548 3.776 1.00 0.42 H new ATOM 0 HG23 VAL A 82 0.801 -5.569 2.319 1.00 0.42 H new ATOM 1302 N LEU A 83 -3.549 -6.810 2.696 1.00 44.03 N ATOM 1303 CA LEU A 83 -4.974 -7.162 2.522 1.00 62.35 C ATOM 1304 C LEU A 83 -5.412 -8.281 3.512 1.00 23.24 C ATOM 1305 O LEU A 83 -6.570 -8.344 3.905 1.00 54.23 O ATOM 1306 CB LEU A 83 -5.218 -7.584 1.047 1.00 64.34 C ATOM 1307 CG LEU A 83 -4.914 -6.483 -0.028 1.00 35.14 C ATOM 1308 CD1 LEU A 83 -4.941 -7.056 -1.462 1.00 23.30 C ATOM 1309 CD2 LEU A 83 -5.880 -5.282 0.107 1.00 24.41 C ATOM 0 H LEU A 83 -2.964 -7.091 1.909 1.00 44.03 H new ATOM 0 HA LEU A 83 -5.585 -6.288 2.750 1.00 62.35 H new ATOM 0 HB2 LEU A 83 -4.604 -8.458 0.831 1.00 64.34 H new ATOM 0 HB3 LEU A 83 -6.258 -7.892 0.943 1.00 64.34 H new ATOM 0 HG LEU A 83 -3.902 -6.124 0.161 1.00 35.14 H new ATOM 0 HD11 LEU A 83 -4.726 -6.261 -2.176 1.00 23.30 H new ATOM 0 HD12 LEU A 83 -4.190 -7.840 -1.555 1.00 23.30 H new ATOM 0 HD13 LEU A 83 -5.927 -7.472 -1.669 1.00 23.30 H new ATOM 0 HD21 LEU A 83 -5.643 -4.537 -0.652 1.00 24.41 H new ATOM 0 HD22 LEU A 83 -6.906 -5.624 -0.028 1.00 24.41 H new ATOM 0 HD23 LEU A 83 -5.773 -4.838 1.097 1.00 24.41 H new ATOM 1321 N CYS A 84 -4.462 -9.149 3.910 1.00 23.23 N ATOM 1322 CA CYS A 84 -4.692 -10.204 4.938 1.00 11.42 C ATOM 1323 C CYS A 84 -4.556 -9.637 6.373 1.00 31.33 C ATOM 1324 O CYS A 84 -4.983 -10.273 7.339 1.00 51.32 O ATOM 1325 CB CYS A 84 -3.705 -11.378 4.746 1.00 31.54 C ATOM 1326 SG CYS A 84 -3.895 -12.732 5.941 1.00 3.20 S ATOM 0 H CYS A 84 -3.514 -9.146 3.534 1.00 23.23 H new ATOM 0 HA CYS A 84 -5.711 -10.568 4.808 1.00 11.42 H new ATOM 0 HB2 CYS A 84 -3.830 -11.779 3.740 1.00 31.54 H new ATOM 0 HB3 CYS A 84 -2.687 -10.994 4.812 1.00 31.54 H new ATOM 0 HG CYS A 84 -4.449 -12.279 7.026 1.00 3.20 H new ATOM 1332 N GLY A 85 -3.949 -8.439 6.494 1.00 13.42 N ATOM 1333 CA GLY A 85 -3.729 -7.778 7.792 1.00 31.24 C ATOM 1334 C GLY A 85 -2.415 -8.170 8.488 1.00 43.13 C ATOM 1335 O GLY A 85 -2.158 -7.704 9.600 1.00 51.22 O ATOM 0 H GLY A 85 -3.600 -7.906 5.697 1.00 13.42 H new ATOM 0 HA2 GLY A 85 -3.739 -6.698 7.643 1.00 31.24 H new ATOM 0 HA3 GLY A 85 -4.562 -8.016 8.454 1.00 31.24 H new ATOM 1339 N ALA A 86 -1.591 -9.023 7.831 1.00 45.15 N ATOM 1340 CA ALA A 86 -0.267 -9.463 8.348 1.00 51.41 C ATOM 1341 C ALA A 86 0.695 -8.265 8.550 1.00 12.31 C ATOM 1342 O ALA A 86 1.274 -8.090 9.628 1.00 44.34 O ATOM 1343 CB ALA A 86 0.355 -10.501 7.402 1.00 33.31 C ATOM 0 H ALA A 86 -1.825 -9.428 6.924 1.00 45.15 H new ATOM 0 HA ALA A 86 -0.426 -9.923 9.323 1.00 51.41 H new ATOM 0 HB1 ALA A 86 1.323 -10.815 7.792 1.00 33.31 H new ATOM 0 HB2 ALA A 86 -0.304 -11.366 7.328 1.00 33.31 H new ATOM 0 HB3 ALA A 86 0.487 -10.060 6.414 1.00 33.31 H new ATOM 1349 N ILE A 87 0.873 -7.452 7.491 1.00 74.33 N ATOM 1350 CA ILE A 87 1.553 -6.137 7.586 1.00 41.12 C ATOM 1351 C ILE A 87 0.476 -5.028 7.617 1.00 65.22 C ATOM 1352 O ILE A 87 -0.361 -4.941 6.710 1.00 64.10 O ATOM 1353 CB ILE A 87 2.590 -5.878 6.402 1.00 32.31 C ATOM 1354 CG1 ILE A 87 3.860 -6.802 6.528 1.00 42.22 C ATOM 1355 CG2 ILE A 87 3.030 -4.390 6.337 1.00 43.52 C ATOM 1356 CD1 ILE A 87 3.647 -8.269 6.189 1.00 52.41 C ATOM 0 H ILE A 87 0.554 -7.682 6.550 1.00 74.33 H new ATOM 0 HA ILE A 87 2.142 -6.129 8.503 1.00 41.12 H new ATOM 0 HB ILE A 87 2.069 -6.126 5.477 1.00 32.31 H new ATOM 0 HG12 ILE A 87 4.639 -6.407 5.876 1.00 42.22 H new ATOM 0 HG13 ILE A 87 4.235 -6.735 7.549 1.00 42.22 H new ATOM 0 HG21 ILE A 87 3.736 -4.255 5.518 1.00 43.52 H new ATOM 0 HG22 ILE A 87 2.157 -3.759 6.171 1.00 43.52 H new ATOM 0 HG23 ILE A 87 3.506 -4.110 7.277 1.00 43.52 H new ATOM 0 HD11 ILE A 87 4.585 -8.810 6.310 1.00 52.41 H new ATOM 0 HD12 ILE A 87 2.896 -8.691 6.857 1.00 52.41 H new ATOM 0 HD13 ILE A 87 3.307 -8.358 5.157 1.00 52.41 H new ATOM 1368 N THR A 88 0.499 -4.200 8.676 1.00 71.05 N ATOM 1369 CA THR A 88 -0.461 -3.086 8.855 1.00 71.34 C ATOM 1370 C THR A 88 -0.198 -1.938 7.835 1.00 5.50 C ATOM 1371 O THR A 88 0.957 -1.705 7.460 1.00 3.11 O ATOM 1372 CB THR A 88 -0.397 -2.512 10.312 1.00 25.21 C ATOM 1373 OG1 THR A 88 0.939 -2.068 10.610 1.00 22.41 O ATOM 1374 CG2 THR A 88 -0.844 -3.551 11.362 1.00 15.11 C ATOM 0 H THR A 88 1.179 -4.280 9.432 1.00 71.05 H new ATOM 0 HA THR A 88 -1.456 -3.493 8.676 1.00 71.34 H new ATOM 0 HB THR A 88 -1.086 -1.669 10.361 1.00 25.21 H new ATOM 0 HG1 THR A 88 0.991 -1.095 10.506 1.00 22.41 H new ATOM 0 HG21 THR A 88 -0.784 -3.111 12.358 1.00 15.11 H new ATOM 0 HG22 THR A 88 -1.872 -3.853 11.160 1.00 15.11 H new ATOM 0 HG23 THR A 88 -0.192 -4.423 11.311 1.00 15.11 H new ATOM 1382 N PRO A 89 -1.281 -1.227 7.353 1.00 11.24 N ATOM 1383 CA PRO A 89 -1.170 -0.068 6.412 1.00 3.10 C ATOM 1384 C PRO A 89 -0.109 1.010 6.786 1.00 53.14 C ATOM 1385 O PRO A 89 0.509 1.607 5.896 1.00 71.35 O ATOM 1386 CB PRO A 89 -2.596 0.520 6.444 1.00 4.14 C ATOM 1387 CG PRO A 89 -3.478 -0.670 6.647 1.00 11.13 C ATOM 1388 CD PRO A 89 -2.720 -1.548 7.625 1.00 11.20 C ATOM 0 HA PRO A 89 -0.821 -0.397 5.433 1.00 3.10 H new ATOM 0 HB2 PRO A 89 -2.711 1.243 7.251 1.00 4.14 H new ATOM 0 HB3 PRO A 89 -2.834 1.039 5.515 1.00 4.14 H new ATOM 0 HG2 PRO A 89 -4.450 -0.379 7.046 1.00 11.13 H new ATOM 0 HG3 PRO A 89 -3.663 -1.191 5.708 1.00 11.13 H new ATOM 0 HD2 PRO A 89 -2.992 -1.324 8.657 1.00 11.20 H new ATOM 0 HD3 PRO A 89 -2.932 -2.605 7.461 1.00 11.20 H new ATOM 1396 N GLN A 90 0.086 1.243 8.101 1.00 54.01 N ATOM 1397 CA GLN A 90 1.113 2.191 8.613 1.00 42.21 C ATOM 1398 C GLN A 90 2.541 1.685 8.289 1.00 15.34 C ATOM 1399 O GLN A 90 3.384 2.440 7.785 1.00 32.01 O ATOM 1400 CB GLN A 90 0.909 2.399 10.152 1.00 63.20 C ATOM 1401 CG GLN A 90 1.764 3.521 10.825 1.00 41.14 C ATOM 1402 CD GLN A 90 3.172 3.078 11.273 1.00 71.51 C ATOM 1403 OE1 GLN A 90 3.361 2.601 12.384 1.00 53.53 O ATOM 1404 NE2 GLN A 90 4.172 3.275 10.442 1.00 63.33 N ATOM 0 H GLN A 90 -0.455 0.787 8.836 1.00 54.01 H new ATOM 0 HA GLN A 90 0.995 3.154 8.115 1.00 42.21 H new ATOM 0 HB2 GLN A 90 -0.144 2.620 10.330 1.00 63.20 H new ATOM 0 HB3 GLN A 90 1.126 1.457 10.655 1.00 63.20 H new ATOM 0 HG2 GLN A 90 1.865 4.351 10.126 1.00 41.14 H new ATOM 0 HG3 GLN A 90 1.224 3.899 11.693 1.00 41.14 H new ATOM 0 HE21 GLN A 90 3.998 3.674 9.519 1.00 63.33 H new ATOM 0 HE22 GLN A 90 5.122 3.029 10.720 1.00 63.33 H new ATOM 1413 N GLN A 91 2.775 0.390 8.561 1.00 33.44 N ATOM 1414 CA GLN A 91 4.070 -0.284 8.315 1.00 42.02 C ATOM 1415 C GLN A 91 4.424 -0.303 6.807 1.00 53.43 C ATOM 1416 O GLN A 91 5.516 0.103 6.433 1.00 53.11 O ATOM 1417 CB GLN A 91 4.042 -1.726 8.937 1.00 35.15 C ATOM 1418 CG GLN A 91 4.544 -1.836 10.409 1.00 41.51 C ATOM 1419 CD GLN A 91 4.250 -0.598 11.279 1.00 22.33 C ATOM 1420 OE1 GLN A 91 5.071 0.305 11.384 1.00 52.15 O ATOM 1421 NE2 GLN A 91 3.086 -0.533 11.892 1.00 43.40 N ATOM 0 H GLN A 91 2.068 -0.227 8.961 1.00 33.44 H new ATOM 0 HA GLN A 91 4.862 0.282 8.805 1.00 42.02 H new ATOM 0 HB2 GLN A 91 3.020 -2.102 8.892 1.00 35.15 H new ATOM 0 HB3 GLN A 91 4.650 -2.382 8.315 1.00 35.15 H new ATOM 0 HG2 GLN A 91 4.083 -2.708 10.873 1.00 41.51 H new ATOM 0 HG3 GLN A 91 5.620 -2.011 10.400 1.00 41.51 H new ATOM 0 HE21 GLN A 91 2.414 -1.294 11.793 1.00 43.40 H new ATOM 0 HE22 GLN A 91 2.856 0.279 12.465 1.00 43.40 H new ATOM 1430 N ILE A 92 3.469 -0.705 5.946 1.00 64.51 N ATOM 1431 CA ILE A 92 3.699 -0.798 4.475 1.00 40.54 C ATOM 1432 C ILE A 92 3.820 0.613 3.805 1.00 65.12 C ATOM 1433 O ILE A 92 4.212 0.732 2.643 1.00 14.14 O ATOM 1434 CB ILE A 92 2.569 -1.653 3.773 1.00 72.24 C ATOM 1435 CG1 ILE A 92 2.998 -2.118 2.337 1.00 4.04 C ATOM 1436 CG2 ILE A 92 1.228 -0.893 3.729 1.00 12.11 C ATOM 1437 CD1 ILE A 92 4.190 -3.061 2.318 1.00 41.23 C ATOM 0 H ILE A 92 2.528 -0.972 6.235 1.00 64.51 H new ATOM 0 HA ILE A 92 4.653 -1.307 4.337 1.00 40.54 H new ATOM 0 HB ILE A 92 2.425 -2.547 4.379 1.00 72.24 H new ATOM 0 HG12 ILE A 92 2.151 -2.611 1.859 1.00 4.04 H new ATOM 0 HG13 ILE A 92 3.235 -1.239 1.738 1.00 4.04 H new ATOM 0 HG21 ILE A 92 0.475 -1.511 3.240 1.00 12.11 H new ATOM 0 HG22 ILE A 92 0.906 -0.665 4.745 1.00 12.11 H new ATOM 0 HG23 ILE A 92 1.354 0.035 3.171 1.00 12.11 H new ATOM 0 HD11 ILE A 92 4.421 -3.334 1.288 1.00 41.23 H new ATOM 0 HD12 ILE A 92 5.052 -2.566 2.765 1.00 41.23 H new ATOM 0 HD13 ILE A 92 3.952 -3.960 2.887 1.00 41.23 H new ATOM 1449 N ALA A 93 3.475 1.677 4.555 1.00 44.14 N ATOM 1450 CA ALA A 93 3.629 3.076 4.100 1.00 75.10 C ATOM 1451 C ALA A 93 5.077 3.603 4.305 1.00 52.35 C ATOM 1452 O ALA A 93 5.578 4.388 3.492 1.00 13.41 O ATOM 1453 CB ALA A 93 2.626 3.974 4.835 1.00 14.53 C ATOM 0 H ALA A 93 3.082 1.593 5.493 1.00 44.14 H new ATOM 0 HA ALA A 93 3.427 3.101 3.029 1.00 75.10 H new ATOM 0 HB1 ALA A 93 2.743 5.003 4.497 1.00 14.53 H new ATOM 0 HB2 ALA A 93 1.612 3.636 4.623 1.00 14.53 H new ATOM 0 HB3 ALA A 93 2.809 3.922 5.908 1.00 14.53 H new ATOM 1459 N VAL A 94 5.744 3.152 5.391 1.00 74.41 N ATOM 1460 CA VAL A 94 7.065 3.701 5.832 1.00 75.03 C ATOM 1461 C VAL A 94 8.255 2.717 5.607 1.00 72.55 C ATOM 1462 O VAL A 94 9.413 3.149 5.513 1.00 53.10 O ATOM 1463 CB VAL A 94 7.006 4.121 7.354 1.00 30.30 C ATOM 1464 CG1 VAL A 94 5.929 5.215 7.592 1.00 62.11 C ATOM 1465 CG2 VAL A 94 6.770 2.890 8.270 1.00 0.40 C ATOM 0 H VAL A 94 5.393 2.403 5.988 1.00 74.41 H new ATOM 0 HA VAL A 94 7.253 4.574 5.206 1.00 75.03 H new ATOM 0 HB VAL A 94 7.974 4.546 7.618 1.00 30.30 H new ATOM 0 HG11 VAL A 94 5.911 5.484 8.648 1.00 62.11 H new ATOM 0 HG12 VAL A 94 6.168 6.096 6.997 1.00 62.11 H new ATOM 0 HG13 VAL A 94 4.951 4.833 7.298 1.00 62.11 H new ATOM 0 HG21 VAL A 94 6.734 3.212 9.311 1.00 0.40 H new ATOM 0 HG22 VAL A 94 5.826 2.415 8.005 1.00 0.40 H new ATOM 0 HG23 VAL A 94 7.584 2.177 8.139 1.00 0.40 H new ATOM 1475 N MET A 95 7.956 1.407 5.519 1.00 22.43 N ATOM 1476 CA MET A 95 8.975 0.327 5.388 1.00 55.21 C ATOM 1477 C MET A 95 9.652 0.360 3.987 1.00 53.44 C ATOM 1478 O MET A 95 8.961 0.449 2.972 1.00 0.22 O ATOM 1479 CB MET A 95 8.279 -1.038 5.666 1.00 2.44 C ATOM 1480 CG MET A 95 9.171 -2.281 5.639 1.00 15.11 C ATOM 1481 SD MET A 95 8.354 -3.759 6.309 1.00 62.53 S ATOM 1482 CE MET A 95 6.856 -3.869 5.328 1.00 55.23 C ATOM 0 H MET A 95 6.998 1.058 5.536 1.00 22.43 H new ATOM 0 HA MET A 95 9.773 0.477 6.115 1.00 55.21 H new ATOM 0 HB2 MET A 95 7.801 -0.983 6.644 1.00 2.44 H new ATOM 0 HB3 MET A 95 7.486 -1.172 4.930 1.00 2.44 H new ATOM 0 HG2 MET A 95 9.479 -2.478 4.612 1.00 15.11 H new ATOM 0 HG3 MET A 95 10.077 -2.083 6.211 1.00 15.11 H new ATOM 0 HE1 MET A 95 6.171 -4.581 5.788 1.00 55.23 H new ATOM 0 HE2 MET A 95 6.381 -2.889 5.278 1.00 55.23 H new ATOM 0 HE3 MET A 95 7.104 -4.203 4.321 1.00 55.23 H new ATOM 1492 N THR A 96 11.002 0.304 3.942 1.00 1.40 N ATOM 1493 CA THR A 96 11.785 0.479 2.679 1.00 40.02 C ATOM 1494 C THR A 96 11.625 -0.726 1.715 1.00 52.23 C ATOM 1495 O THR A 96 11.208 -1.803 2.136 1.00 74.40 O ATOM 1496 CB THR A 96 13.308 0.719 2.966 1.00 32.34 C ATOM 1497 OG1 THR A 96 13.917 -0.471 3.496 1.00 10.13 O ATOM 1498 CG2 THR A 96 13.530 1.893 3.944 1.00 44.23 C ATOM 0 H THR A 96 11.582 0.139 4.765 1.00 1.40 H new ATOM 0 HA THR A 96 11.373 1.364 2.194 1.00 40.02 H new ATOM 0 HB THR A 96 13.777 0.975 2.016 1.00 32.34 H new ATOM 0 HG1 THR A 96 13.454 -0.737 4.318 1.00 10.13 H new ATOM 0 HG21 THR A 96 14.598 2.026 4.116 1.00 44.23 H new ATOM 0 HG22 THR A 96 13.115 2.806 3.517 1.00 44.23 H new ATOM 0 HG23 THR A 96 13.034 1.677 4.890 1.00 44.23 H new ATOM 1506 N SER A 97 12.009 -0.533 0.428 1.00 2.54 N ATOM 1507 CA SER A 97 11.725 -1.497 -0.676 1.00 21.14 C ATOM 1508 C SER A 97 12.284 -2.916 -0.413 1.00 22.23 C ATOM 1509 O SER A 97 11.591 -3.909 -0.668 1.00 31.22 O ATOM 1510 CB SER A 97 12.283 -0.966 -2.016 1.00 52.20 C ATOM 1511 OG SER A 97 13.706 -0.933 -2.020 1.00 32.32 O ATOM 0 H SER A 97 12.524 0.293 0.122 1.00 2.54 H new ATOM 0 HA SER A 97 10.640 -1.583 -0.727 1.00 21.14 H new ATOM 0 HB2 SER A 97 11.932 -1.598 -2.832 1.00 52.20 H new ATOM 0 HB3 SER A 97 11.896 0.036 -2.199 1.00 52.20 H new ATOM 0 HG SER A 97 14.023 -0.594 -2.883 1.00 32.32 H new ATOM 1517 N GLU A 98 13.538 -3.002 0.093 1.00 41.45 N ATOM 1518 CA GLU A 98 14.182 -4.296 0.422 1.00 32.50 C ATOM 1519 C GLU A 98 13.439 -5.017 1.559 1.00 13.01 C ATOM 1520 O GLU A 98 13.113 -6.191 1.423 1.00 75.21 O ATOM 1521 CB GLU A 98 15.682 -4.120 0.791 1.00 1.05 C ATOM 1522 CG GLU A 98 16.393 -5.449 1.159 1.00 41.52 C ATOM 1523 CD GLU A 98 17.906 -5.308 1.371 1.00 33.15 C ATOM 1524 OE1 GLU A 98 18.667 -5.427 0.384 1.00 75.22 O ATOM 1525 OE2 GLU A 98 18.344 -5.083 2.524 1.00 42.13 O ATOM 0 H GLU A 98 14.124 -2.189 0.282 1.00 41.45 H new ATOM 0 HA GLU A 98 14.126 -4.911 -0.476 1.00 32.50 H new ATOM 0 HB2 GLU A 98 16.202 -3.660 -0.049 1.00 1.05 H new ATOM 0 HB3 GLU A 98 15.762 -3.430 1.631 1.00 1.05 H new ATOM 0 HG2 GLU A 98 15.945 -5.850 2.068 1.00 41.52 H new ATOM 0 HG3 GLU A 98 16.213 -6.177 0.368 1.00 41.52 H new ATOM 1532 N GLU A 99 13.163 -4.293 2.662 1.00 43.42 N ATOM 1533 CA GLU A 99 12.433 -4.845 3.831 1.00 52.55 C ATOM 1534 C GLU A 99 11.041 -5.387 3.419 1.00 71.32 C ATOM 1535 O GLU A 99 10.672 -6.496 3.798 1.00 13.52 O ATOM 1536 CB GLU A 99 12.267 -3.768 4.931 1.00 73.41 C ATOM 1537 CG GLU A 99 13.577 -3.172 5.481 1.00 14.30 C ATOM 1538 CD GLU A 99 13.334 -2.067 6.534 1.00 11.41 C ATOM 1539 OE1 GLU A 99 12.618 -1.081 6.218 1.00 50.43 O ATOM 1540 OE2 GLU A 99 13.858 -2.161 7.665 1.00 74.22 O ATOM 0 H GLU A 99 13.435 -3.316 2.772 1.00 43.42 H new ATOM 0 HA GLU A 99 13.025 -5.671 4.226 1.00 52.55 H new ATOM 0 HB2 GLU A 99 11.659 -2.956 4.531 1.00 73.41 H new ATOM 0 HB3 GLU A 99 11.711 -4.204 5.761 1.00 73.41 H new ATOM 0 HG2 GLU A 99 14.174 -3.968 5.926 1.00 14.30 H new ATOM 0 HG3 GLU A 99 14.159 -2.760 4.656 1.00 14.30 H new ATOM 1547 N MET A 100 10.310 -4.597 2.606 1.00 4.04 N ATOM 1548 CA MET A 100 8.977 -4.968 2.078 1.00 24.10 C ATOM 1549 C MET A 100 9.026 -6.278 1.249 1.00 32.43 C ATOM 1550 O MET A 100 8.222 -7.187 1.465 1.00 22.32 O ATOM 1551 CB MET A 100 8.376 -3.814 1.216 1.00 52.34 C ATOM 1552 CG MET A 100 8.020 -2.538 1.994 1.00 12.20 C ATOM 1553 SD MET A 100 6.981 -1.382 1.060 1.00 55.54 S ATOM 1554 CE MET A 100 7.991 -1.047 -0.377 1.00 4.24 C ATOM 0 H MET A 100 10.628 -3.679 2.295 1.00 4.04 H new ATOM 0 HA MET A 100 8.332 -5.139 2.940 1.00 24.10 H new ATOM 0 HB2 MET A 100 9.089 -3.557 0.433 1.00 52.34 H new ATOM 0 HB3 MET A 100 7.477 -4.181 0.720 1.00 52.34 H new ATOM 0 HG2 MET A 100 7.504 -2.815 2.913 1.00 12.20 H new ATOM 0 HG3 MET A 100 8.940 -2.032 2.285 1.00 12.20 H new ATOM 0 HE1 MET A 100 7.448 -0.392 -1.059 1.00 4.24 H new ATOM 0 HE2 MET A 100 8.916 -0.561 -0.066 1.00 4.24 H new ATOM 0 HE3 MET A 100 8.226 -1.983 -0.883 1.00 4.24 H new