USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 808 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 75 ASN : amide:sc= 0.0544 K(o=-1.9,f=0.23) USER MOD Set 1.2: A 92 ASN : amide:sc= -2.71! K(o=-1.9!,f=0.64) USER MOD Set 1.3: A 93 SER OG : rot 36:sc= 0.798 USER MOD Set 2.1: A 39 MET CE :methyl 168:sc= -0.0248 (180deg=-0.211) USER MOD Set 2.2: A 61 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 31 ASN : amide:sc=-0.00248 K(o=2,f=-2.1!) USER MOD Set 3.2: A 33 SER OG : rot 129:sc= 1.82 USER MOD Set 3.3: A 37 GLN : amide:sc= 0.171 X(o=2,f=1.9) USER MOD Single : A 14 ASN : amide:sc= -0.0265 X(o=-0.026,f=0) USER MOD Single : A 16 CYS SG : rot -15:sc= 0.882 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0207) USER MOD Single : A 32 THR OG1 : rot -44:sc= 1.16 USER MOD Single : A 35 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 44 MET CE :methyl 165:sc= -0.292 (180deg=-0.625) USER MOD Single : A 47 LYS NZ :NH3+ -170:sc=-0.00825 (180deg=-0.132) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.392 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 30:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 147:sc= 1.16 (180deg=-0.257) USER MOD Single : A 57 TYR OH : rot 102:sc= 0.184 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0.00337 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -0.705 K(o=-0.7,f=-0.013) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0586) USER MOD Single : A 90 ASN : amide:sc=-0.00175 X(o=-0.0017,f=-0.11) USER MOD Single : A 91 GLN : amide:sc= -0.276 K(o=-0.28,f=-9.5!) USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.533 USER MOD Single : A 101 LYS NZ :NH3+ 148:sc= -2.82! (180deg=-5.73!) USER MOD Single : A 105 LYS NZ :NH3+ 152:sc= 0.425 (180deg=-0.675) USER MOD Single : A 106 ASN : amide:sc= -0.921 X(o=-0.92,f=-1.2) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 114 GLN : amide:sc= -1.46 K(o=-1.5,f=-0.014) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 THR OG1 : rot 170:sc= 1.27 USER MOD ----------------------------------------------------------------- ATOM 202 N ASN A 14 -8.975 -6.504 6.362 1.00 14.12 N ATOM 203 CA ASN A 14 -7.865 -6.420 7.331 1.00 31.34 C ATOM 204 C ASN A 14 -6.494 -6.325 6.648 1.00 20.42 C ATOM 205 O ASN A 14 -5.468 -6.647 7.252 1.00 52.11 O ATOM 206 CB ASN A 14 -7.897 -7.621 8.280 1.00 40.31 C ATOM 207 CG ASN A 14 -9.126 -7.612 9.164 1.00 73.43 C ATOM 208 OD1 ASN A 14 -9.114 -7.056 10.257 1.00 51.20 O ATOM 209 ND2 ASN A 14 -10.199 -8.207 8.692 1.00 65.12 N ATOM 0 HA ASN A 14 -8.007 -5.501 7.899 1.00 31.34 H new ATOM 0 HB2 ASN A 14 -7.875 -8.543 7.699 1.00 40.31 H new ATOM 0 HB3 ASN A 14 -7.002 -7.615 8.903 1.00 40.31 H new ATOM 0 HD21 ASN A 14 -11.059 -8.216 9.240 1.00 65.12 H new ATOM 0 HD22 ASN A 14 -10.171 -8.659 7.778 1.00 65.12 H new ATOM 216 N VAL A 15 -6.473 -5.870 5.399 1.00 70.21 N ATOM 217 CA VAL A 15 -5.209 -5.631 4.698 1.00 35.34 C ATOM 218 C VAL A 15 -4.593 -4.297 5.155 1.00 20.23 C ATOM 219 O VAL A 15 -4.822 -3.249 4.553 1.00 13.54 O ATOM 220 CB VAL A 15 -5.397 -5.624 3.157 1.00 55.02 C ATOM 221 CG1 VAL A 15 -4.054 -5.472 2.439 1.00 72.01 C ATOM 222 CG2 VAL A 15 -6.119 -6.891 2.699 1.00 13.20 C ATOM 0 H VAL A 15 -7.308 -5.660 4.852 1.00 70.21 H new ATOM 0 HA VAL A 15 -4.534 -6.450 4.949 1.00 35.34 H new ATOM 0 HB VAL A 15 -6.013 -4.764 2.895 1.00 55.02 H new ATOM 0 HG11 VAL A 15 -4.216 -5.470 1.361 1.00 72.01 H new ATOM 0 HG12 VAL A 15 -3.586 -4.534 2.737 1.00 72.01 H new ATOM 0 HG13 VAL A 15 -3.402 -6.304 2.707 1.00 72.01 H new ATOM 0 HG21 VAL A 15 -6.242 -6.868 1.616 1.00 13.20 H new ATOM 0 HG22 VAL A 15 -5.532 -7.766 2.980 1.00 13.20 H new ATOM 0 HG23 VAL A 15 -7.099 -6.944 3.174 1.00 13.20 H new ATOM 232 N CYS A 16 -3.840 -4.347 6.249 1.00 61.31 N ATOM 233 CA CYS A 16 -3.260 -3.141 6.857 1.00 73.15 C ATOM 234 C CYS A 16 -1.798 -2.943 6.439 1.00 4.02 C ATOM 235 O CYS A 16 -1.065 -3.907 6.225 1.00 4.34 O ATOM 236 CB CYS A 16 -3.345 -3.237 8.383 1.00 72.53 C ATOM 237 SG CYS A 16 -2.458 -4.649 9.082 1.00 23.33 S ATOM 0 H CYS A 16 -3.613 -5.212 6.740 1.00 61.31 H new ATOM 0 HA CYS A 16 -3.833 -2.283 6.504 1.00 73.15 H new ATOM 0 HB2 CYS A 16 -2.947 -2.320 8.817 1.00 72.53 H new ATOM 0 HB3 CYS A 16 -4.393 -3.299 8.675 1.00 72.53 H new ATOM 0 HG CYS A 16 -2.172 -5.493 8.136 1.00 23.33 H new ATOM 243 N ILE A 17 -1.374 -1.686 6.331 1.00 45.32 N ATOM 244 CA ILE A 17 0.016 -1.377 5.990 1.00 51.31 C ATOM 245 C ILE A 17 0.898 -1.451 7.246 1.00 53.51 C ATOM 246 O ILE A 17 0.962 -0.502 8.028 1.00 23.32 O ATOM 247 CB ILE A 17 0.178 0.024 5.335 1.00 11.12 C ATOM 248 CG1 ILE A 17 -0.696 0.167 4.071 1.00 5.40 C ATOM 249 CG2 ILE A 17 1.646 0.279 4.994 1.00 5.30 C ATOM 250 CD1 ILE A 17 -2.182 0.294 4.345 1.00 12.23 C ATOM 0 H ILE A 17 -1.967 -0.868 6.473 1.00 45.32 H new ATOM 0 HA ILE A 17 0.331 -2.122 5.259 1.00 51.31 H new ATOM 0 HB ILE A 17 -0.159 0.769 6.056 1.00 11.12 H new ATOM 0 HG12 ILE A 17 -0.366 1.044 3.514 1.00 5.40 H new ATOM 0 HG13 ILE A 17 -0.530 -0.699 3.430 1.00 5.40 H new ATOM 0 HG21 ILE A 17 1.748 1.263 4.536 1.00 5.30 H new ATOM 0 HG22 ILE A 17 2.243 0.239 5.905 1.00 5.30 H new ATOM 0 HG23 ILE A 17 1.995 -0.483 4.298 1.00 5.30 H new ATOM 0 HD11 ILE A 17 -2.719 0.390 3.401 1.00 12.23 H new ATOM 0 HD12 ILE A 17 -2.532 -0.593 4.873 1.00 12.23 H new ATOM 0 HD13 ILE A 17 -2.365 1.177 4.958 1.00 12.23 H new ATOM 262 N GLU A 18 1.555 -2.587 7.442 1.00 72.32 N ATOM 263 CA GLU A 18 2.398 -2.803 8.622 1.00 72.31 C ATOM 264 C GLU A 18 3.627 -1.878 8.627 1.00 1.53 C ATOM 265 O GLU A 18 4.029 -1.362 9.675 1.00 60.21 O ATOM 266 CB GLU A 18 2.852 -4.272 8.685 1.00 12.54 C ATOM 267 CG GLU A 18 3.801 -4.579 9.844 1.00 42.23 C ATOM 268 CD GLU A 18 4.297 -6.018 9.843 1.00 32.44 C ATOM 269 OE1 GLU A 18 5.062 -6.386 8.926 1.00 73.11 O ATOM 270 OE2 GLU A 18 3.932 -6.785 10.758 1.00 61.21 O ATOM 0 H GLU A 18 1.523 -3.379 6.799 1.00 72.32 H new ATOM 0 HA GLU A 18 1.798 -2.565 9.501 1.00 72.31 H new ATOM 0 HB2 GLU A 18 1.973 -4.910 8.770 1.00 12.54 H new ATOM 0 HB3 GLU A 18 3.344 -4.530 7.747 1.00 12.54 H new ATOM 0 HG2 GLU A 18 4.657 -3.906 9.793 1.00 42.23 H new ATOM 0 HG3 GLU A 18 3.292 -4.377 10.786 1.00 42.23 H new ATOM 277 N GLU A 19 4.214 -1.660 7.451 1.00 2.14 N ATOM 278 CA GLU A 19 5.492 -0.950 7.353 1.00 63.22 C ATOM 279 C GLU A 19 5.625 -0.143 6.048 1.00 3.03 C ATOM 280 O GLU A 19 5.398 -0.658 4.953 1.00 24.00 O ATOM 281 CB GLU A 19 6.629 -1.977 7.459 1.00 12.42 C ATOM 282 CG GLU A 19 8.027 -1.419 7.218 1.00 10.03 C ATOM 283 CD GLU A 19 9.100 -2.486 7.364 1.00 50.04 C ATOM 284 OE1 GLU A 19 9.100 -3.443 6.563 1.00 60.44 O ATOM 285 OE2 GLU A 19 9.921 -2.390 8.301 1.00 34.12 O ATOM 0 H GLU A 19 3.829 -1.962 6.556 1.00 2.14 H new ATOM 0 HA GLU A 19 5.544 -0.229 8.169 1.00 63.22 H new ATOM 0 HB2 GLU A 19 6.600 -2.427 8.451 1.00 12.42 H new ATOM 0 HB3 GLU A 19 6.444 -2.776 6.741 1.00 12.42 H new ATOM 0 HG2 GLU A 19 8.078 -0.988 6.218 1.00 10.03 H new ATOM 0 HG3 GLU A 19 8.221 -0.611 7.923 1.00 10.03 H new ATOM 292 N ILE A 20 5.992 1.131 6.184 1.00 33.43 N ATOM 293 CA ILE A 20 6.323 1.979 5.032 1.00 73.23 C ATOM 294 C ILE A 20 7.796 2.410 5.111 1.00 12.15 C ATOM 295 O ILE A 20 8.246 2.908 6.146 1.00 74.40 O ATOM 296 CB ILE A 20 5.434 3.249 4.967 1.00 11.52 C ATOM 297 CG1 ILE A 20 3.943 2.874 4.975 1.00 74.10 C ATOM 298 CG2 ILE A 20 5.774 4.074 3.723 1.00 51.23 C ATOM 299 CD1 ILE A 20 3.007 4.067 4.963 1.00 74.32 C ATOM 0 H ILE A 20 6.069 1.603 7.085 1.00 33.43 H new ATOM 0 HA ILE A 20 6.142 1.389 4.134 1.00 73.23 H new ATOM 0 HB ILE A 20 5.636 3.854 5.851 1.00 11.52 H new ATOM 0 HG12 ILE A 20 3.731 2.250 4.107 1.00 74.10 H new ATOM 0 HG13 ILE A 20 3.735 2.271 5.859 1.00 74.10 H new ATOM 0 HG21 ILE A 20 5.142 4.962 3.691 1.00 51.23 H new ATOM 0 HG22 ILE A 20 6.821 4.375 3.761 1.00 51.23 H new ATOM 0 HG23 ILE A 20 5.601 3.474 2.830 1.00 51.23 H new ATOM 0 HD11 ILE A 20 1.974 3.719 4.970 1.00 74.32 H new ATOM 0 HD12 ILE A 20 3.189 4.681 5.845 1.00 74.32 H new ATOM 0 HD13 ILE A 20 3.184 4.660 4.066 1.00 74.32 H new ATOM 311 N ASP A 21 8.543 2.213 4.032 1.00 2.34 N ATOM 312 CA ASP A 21 9.964 2.562 4.012 1.00 24.42 C ATOM 313 C ASP A 21 10.167 4.093 4.009 1.00 74.21 C ATOM 314 O ASP A 21 9.797 4.787 3.059 1.00 34.40 O ATOM 315 CB ASP A 21 10.639 1.919 2.798 1.00 3.50 C ATOM 316 CG ASP A 21 12.119 2.233 2.733 1.00 11.13 C ATOM 317 OD1 ASP A 21 12.905 1.605 3.479 1.00 71.42 O ATOM 318 OD2 ASP A 21 12.499 3.114 1.941 1.00 51.34 O ATOM 0 H ASP A 21 8.193 1.815 3.160 1.00 2.34 H new ATOM 0 HA ASP A 21 10.427 2.175 4.920 1.00 24.42 H new ATOM 0 HB2 ASP A 21 10.500 0.839 2.837 1.00 3.50 H new ATOM 0 HB3 ASP A 21 10.155 2.270 1.887 1.00 3.50 H new ATOM 323 N VAL A 22 10.759 4.609 5.087 1.00 4.52 N ATOM 324 CA VAL A 22 10.966 6.054 5.248 1.00 32.45 C ATOM 325 C VAL A 22 12.000 6.606 4.245 1.00 33.25 C ATOM 326 O VAL A 22 11.898 7.757 3.809 1.00 72.51 O ATOM 327 CB VAL A 22 11.400 6.399 6.699 1.00 65.05 C ATOM 328 CG1 VAL A 22 12.728 5.730 7.050 1.00 3.23 C ATOM 329 CG2 VAL A 22 11.483 7.911 6.904 1.00 32.43 C ATOM 0 H VAL A 22 11.105 4.048 5.865 1.00 4.52 H new ATOM 0 HA VAL A 22 10.009 6.532 5.042 1.00 32.45 H new ATOM 0 HB VAL A 22 10.638 6.009 7.374 1.00 65.05 H new ATOM 0 HG11 VAL A 22 13.007 5.989 8.071 1.00 3.23 H new ATOM 0 HG12 VAL A 22 12.624 4.648 6.966 1.00 3.23 H new ATOM 0 HG13 VAL A 22 13.502 6.075 6.364 1.00 3.23 H new ATOM 0 HG21 VAL A 22 11.789 8.123 7.928 1.00 32.43 H new ATOM 0 HG22 VAL A 22 12.213 8.332 6.213 1.00 32.43 H new ATOM 0 HG23 VAL A 22 10.506 8.358 6.717 1.00 32.43 H new ATOM 339 N ASP A 23 12.978 5.776 3.868 1.00 14.00 N ATOM 340 CA ASP A 23 14.029 6.183 2.929 1.00 31.40 C ATOM 341 C ASP A 23 13.427 6.666 1.598 1.00 4.35 C ATOM 342 O ASP A 23 13.791 7.731 1.090 1.00 75.10 O ATOM 343 CB ASP A 23 14.999 5.017 2.687 1.00 53.21 C ATOM 344 CG ASP A 23 16.191 5.416 1.836 1.00 11.43 C ATOM 345 OD1 ASP A 23 17.173 5.956 2.395 1.00 53.15 O ATOM 346 OD2 ASP A 23 16.161 5.202 0.608 1.00 42.05 O ATOM 0 H ASP A 23 13.064 4.815 4.200 1.00 14.00 H new ATOM 0 HA ASP A 23 14.578 7.015 3.370 1.00 31.40 H new ATOM 0 HB2 ASP A 23 15.353 4.638 3.646 1.00 53.21 H new ATOM 0 HB3 ASP A 23 14.466 4.201 2.199 1.00 53.21 H new ATOM 351 N GLY A 24 12.499 5.886 1.048 1.00 64.41 N ATOM 352 CA GLY A 24 11.802 6.281 -0.172 1.00 61.43 C ATOM 353 C GLY A 24 11.656 5.158 -1.194 1.00 74.34 C ATOM 354 O GLY A 24 11.489 5.422 -2.384 1.00 52.30 O ATOM 0 H GLY A 24 12.214 4.982 1.426 1.00 64.41 H new ATOM 0 HA2 GLY A 24 10.811 6.650 0.091 1.00 61.43 H new ATOM 0 HA3 GLY A 24 12.339 7.110 -0.633 1.00 61.43 H new ATOM 358 N LYS A 25 11.697 3.909 -0.735 1.00 4.54 N ATOM 359 CA LYS A 25 11.692 2.749 -1.635 1.00 61.34 C ATOM 360 C LYS A 25 10.286 2.158 -1.851 1.00 12.32 C ATOM 361 O LYS A 25 9.768 2.164 -2.971 1.00 43.42 O ATOM 362 CB LYS A 25 12.618 1.656 -1.080 1.00 74.32 C ATOM 363 CG LYS A 25 14.052 2.119 -0.845 1.00 1.55 C ATOM 364 CD LYS A 25 14.892 1.024 -0.189 1.00 43.13 C ATOM 365 CE LYS A 25 16.297 1.508 0.149 1.00 61.11 C ATOM 366 NZ LYS A 25 17.084 0.463 0.859 1.00 61.43 N ATOM 0 H LYS A 25 11.734 3.670 0.256 1.00 4.54 H new ATOM 0 HA LYS A 25 12.048 3.103 -2.603 1.00 61.34 H new ATOM 0 HB2 LYS A 25 12.207 1.289 -0.140 1.00 74.32 H new ATOM 0 HB3 LYS A 25 12.627 0.815 -1.774 1.00 74.32 H new ATOM 0 HG2 LYS A 25 14.503 2.406 -1.795 1.00 1.55 H new ATOM 0 HG3 LYS A 25 14.050 3.006 -0.212 1.00 1.55 H new ATOM 0 HD2 LYS A 25 14.397 0.683 0.721 1.00 43.13 H new ATOM 0 HD3 LYS A 25 14.955 0.166 -0.858 1.00 43.13 H new ATOM 0 HE2 LYS A 25 16.814 1.793 -0.767 1.00 61.11 H new ATOM 0 HE3 LYS A 25 16.234 2.401 0.770 1.00 61.11 H new ATOM 0 HZ1 LYS A 25 18.034 0.829 1.072 1.00 61.43 H new ATOM 0 HZ2 LYS A 25 16.604 0.209 1.746 1.00 61.43 H new ATOM 0 HZ3 LYS A 25 17.165 -0.380 0.256 1.00 61.43 H new ATOM 380 N PHE A 26 9.666 1.647 -0.780 1.00 24.12 N ATOM 381 CA PHE A 26 8.448 0.833 -0.925 1.00 71.32 C ATOM 382 C PHE A 26 7.428 1.016 0.218 1.00 65.44 C ATOM 383 O PHE A 26 7.756 1.483 1.310 1.00 74.10 O ATOM 384 CB PHE A 26 8.833 -0.653 -1.011 1.00 71.32 C ATOM 385 CG PHE A 26 9.503 -1.181 0.239 1.00 35.43 C ATOM 386 CD1 PHE A 26 10.876 -1.074 0.408 1.00 20.53 C ATOM 387 CD2 PHE A 26 8.757 -1.779 1.249 1.00 43.32 C ATOM 388 CE1 PHE A 26 11.488 -1.548 1.552 1.00 34.14 C ATOM 389 CE2 PHE A 26 9.367 -2.256 2.394 1.00 65.34 C ATOM 390 CZ PHE A 26 10.734 -2.140 2.545 1.00 63.42 C ATOM 0 H PHE A 26 9.979 1.778 0.182 1.00 24.12 H new ATOM 0 HA PHE A 26 7.962 1.177 -1.838 1.00 71.32 H new ATOM 0 HB2 PHE A 26 7.936 -1.241 -1.208 1.00 71.32 H new ATOM 0 HB3 PHE A 26 9.502 -0.798 -1.860 1.00 71.32 H new ATOM 0 HD1 PHE A 26 11.474 -0.614 -0.365 1.00 20.53 H new ATOM 0 HD2 PHE A 26 7.687 -1.872 1.137 1.00 43.32 H new ATOM 0 HE1 PHE A 26 12.558 -1.455 1.670 1.00 34.14 H new ATOM 0 HE2 PHE A 26 8.775 -2.719 3.169 1.00 65.34 H new ATOM 0 HZ PHE A 26 11.213 -2.512 3.439 1.00 63.42 H new ATOM 400 N ILE A 27 6.185 0.618 -0.063 1.00 25.51 N ATOM 401 CA ILE A 27 5.117 0.534 0.943 1.00 43.24 C ATOM 402 C ILE A 27 4.667 -0.933 1.101 1.00 61.10 C ATOM 403 O ILE A 27 4.115 -1.518 0.170 1.00 25.21 O ATOM 404 CB ILE A 27 3.891 1.401 0.542 1.00 62.51 C ATOM 405 CG1 ILE A 27 4.314 2.869 0.347 1.00 3.44 C ATOM 406 CG2 ILE A 27 2.778 1.289 1.586 1.00 13.31 C ATOM 407 CD1 ILE A 27 3.188 3.780 -0.099 1.00 31.41 C ATOM 0 H ILE A 27 5.887 0.343 -0.999 1.00 25.51 H new ATOM 0 HA ILE A 27 5.514 0.911 1.886 1.00 43.24 H new ATOM 0 HB ILE A 27 3.500 1.026 -0.404 1.00 62.51 H new ATOM 0 HG12 ILE A 27 4.723 3.246 1.284 1.00 3.44 H new ATOM 0 HG13 ILE A 27 5.115 2.911 -0.391 1.00 3.44 H new ATOM 0 HG21 ILE A 27 1.931 1.905 1.283 1.00 13.31 H new ATOM 0 HG22 ILE A 27 2.460 0.250 1.669 1.00 13.31 H new ATOM 0 HG23 ILE A 27 3.149 1.633 2.552 1.00 13.31 H new ATOM 0 HD11 ILE A 27 3.566 4.796 -0.214 1.00 31.41 H new ATOM 0 HD12 ILE A 27 2.793 3.430 -1.052 1.00 31.41 H new ATOM 0 HD13 ILE A 27 2.395 3.770 0.648 1.00 31.41 H new ATOM 419 N ARG A 28 4.909 -1.531 2.268 1.00 11.11 N ATOM 420 CA ARG A 28 4.638 -2.966 2.465 1.00 65.11 C ATOM 421 C ARG A 28 3.334 -3.217 3.251 1.00 74.32 C ATOM 422 O ARG A 28 3.232 -2.899 4.440 1.00 45.25 O ATOM 423 CB ARG A 28 5.827 -3.636 3.172 1.00 4.53 C ATOM 424 CG ARG A 28 5.691 -5.152 3.304 1.00 63.51 C ATOM 425 CD ARG A 28 6.946 -5.792 3.895 1.00 64.24 C ATOM 426 NE ARG A 28 7.272 -5.267 5.221 1.00 24.25 N ATOM 427 CZ ARG A 28 6.719 -5.675 6.333 1.00 41.22 C ATOM 428 NH1 ARG A 28 5.787 -6.576 6.322 1.00 12.40 N ATOM 429 NH2 ARG A 28 7.102 -5.179 7.461 1.00 50.15 N ATOM 0 H ARG A 28 5.288 -1.055 3.087 1.00 11.11 H new ATOM 0 HA ARG A 28 4.505 -3.409 1.478 1.00 65.11 H new ATOM 0 HB2 ARG A 28 6.740 -3.409 2.621 1.00 4.53 H new ATOM 0 HB3 ARG A 28 5.938 -3.203 4.166 1.00 4.53 H new ATOM 0 HG2 ARG A 28 4.834 -5.385 3.936 1.00 63.51 H new ATOM 0 HG3 ARG A 28 5.491 -5.584 2.324 1.00 63.51 H new ATOM 0 HD2 ARG A 28 6.804 -6.871 3.960 1.00 64.24 H new ATOM 0 HD3 ARG A 28 7.787 -5.621 3.223 1.00 64.24 H new ATOM 0 HE ARG A 28 7.978 -4.533 5.282 1.00 24.25 H new ATOM 0 HH11 ARG A 28 5.476 -6.977 5.437 1.00 12.40 H new ATOM 0 HH12 ARG A 28 5.365 -6.884 7.198 1.00 12.40 H new ATOM 0 HH21 ARG A 28 7.835 -4.470 7.484 1.00 50.15 H new ATOM 0 HH22 ARG A 28 6.672 -5.496 8.330 1.00 50.15 H new ATOM 443 N LEU A 29 2.342 -3.796 2.573 1.00 5.12 N ATOM 444 CA LEU A 29 1.055 -4.145 3.192 1.00 51.44 C ATOM 445 C LEU A 29 1.068 -5.588 3.732 1.00 70.33 C ATOM 446 O LEU A 29 1.812 -6.442 3.239 1.00 32.10 O ATOM 447 CB LEU A 29 -0.100 -3.983 2.184 1.00 72.04 C ATOM 448 CG LEU A 29 -0.337 -2.558 1.639 1.00 72.23 C ATOM 449 CD1 LEU A 29 0.782 -2.124 0.692 1.00 31.02 C ATOM 450 CD2 LEU A 29 -1.696 -2.467 0.946 1.00 54.24 C ATOM 0 H LEU A 29 2.404 -4.037 1.584 1.00 5.12 H new ATOM 0 HA LEU A 29 0.900 -3.461 4.026 1.00 51.44 H new ATOM 0 HB2 LEU A 29 0.088 -4.646 1.339 1.00 72.04 H new ATOM 0 HB3 LEU A 29 -1.019 -4.325 2.659 1.00 72.04 H new ATOM 0 HG LEU A 29 -0.332 -1.875 2.488 1.00 72.23 H new ATOM 0 HD11 LEU A 29 0.581 -1.116 0.329 1.00 31.02 H new ATOM 0 HD12 LEU A 29 1.733 -2.135 1.224 1.00 31.02 H new ATOM 0 HD13 LEU A 29 0.831 -2.811 -0.153 1.00 31.02 H new ATOM 0 HD21 LEU A 29 -1.845 -1.455 0.569 1.00 54.24 H new ATOM 0 HD22 LEU A 29 -1.729 -3.173 0.116 1.00 54.24 H new ATOM 0 HD23 LEU A 29 -2.485 -2.708 1.659 1.00 54.24 H new ATOM 462 N LYS A 30 0.230 -5.855 4.731 1.00 72.42 N ATOM 463 CA LYS A 30 0.147 -7.182 5.352 1.00 22.53 C ATOM 464 C LYS A 30 -1.266 -7.445 5.902 1.00 64.14 C ATOM 465 O LYS A 30 -1.784 -6.674 6.713 1.00 24.34 O ATOM 466 CB LYS A 30 1.195 -7.301 6.470 1.00 33.55 C ATOM 467 CG LYS A 30 1.212 -8.652 7.185 1.00 73.02 C ATOM 468 CD LYS A 30 2.422 -8.777 8.109 1.00 31.34 C ATOM 469 CE LYS A 30 2.441 -10.100 8.867 1.00 4.23 C ATOM 470 NZ LYS A 30 1.362 -10.177 9.887 1.00 13.34 N ATOM 0 H LYS A 30 -0.407 -5.167 5.133 1.00 72.42 H new ATOM 0 HA LYS A 30 0.354 -7.936 4.592 1.00 22.53 H new ATOM 0 HB2 LYS A 30 2.182 -7.117 6.046 1.00 33.55 H new ATOM 0 HB3 LYS A 30 1.013 -6.518 7.206 1.00 33.55 H new ATOM 0 HG2 LYS A 30 0.296 -8.771 7.764 1.00 73.02 H new ATOM 0 HG3 LYS A 30 1.230 -9.455 6.448 1.00 73.02 H new ATOM 0 HD2 LYS A 30 3.335 -8.685 7.521 1.00 31.34 H new ATOM 0 HD3 LYS A 30 2.418 -7.953 8.822 1.00 31.34 H new ATOM 0 HE2 LYS A 30 2.331 -10.923 8.161 1.00 4.23 H new ATOM 0 HE3 LYS A 30 3.408 -10.224 9.353 1.00 4.23 H new ATOM 0 HZ1 LYS A 30 1.454 -11.063 10.424 1.00 13.34 H new ATOM 0 HZ2 LYS A 30 1.440 -9.369 10.537 1.00 13.34 H new ATOM 0 HZ3 LYS A 30 0.436 -10.153 9.415 1.00 13.34 H new ATOM 484 N ASN A 31 -1.891 -8.530 5.447 1.00 33.10 N ATOM 485 CA ASN A 31 -3.241 -8.894 5.898 1.00 15.20 C ATOM 486 C ASN A 31 -3.198 -9.678 7.218 1.00 52.04 C ATOM 487 O ASN A 31 -2.476 -10.666 7.340 1.00 60.24 O ATOM 488 CB ASN A 31 -3.951 -9.722 4.825 1.00 62.34 C ATOM 489 CG ASN A 31 -5.325 -10.189 5.263 1.00 20.52 C ATOM 490 OD1 ASN A 31 -5.991 -9.539 6.060 1.00 21.14 O ATOM 491 ND2 ASN A 31 -5.762 -11.314 4.741 1.00 4.12 N ATOM 0 H ASN A 31 -1.488 -9.174 4.767 1.00 33.10 H new ATOM 0 HA ASN A 31 -3.795 -7.971 6.069 1.00 15.20 H new ATOM 0 HB2 ASN A 31 -4.046 -9.127 3.916 1.00 62.34 H new ATOM 0 HB3 ASN A 31 -3.339 -10.589 4.576 1.00 62.34 H new ATOM 0 HD21 ASN A 31 -6.682 -11.671 4.997 1.00 4.12 H new ATOM 0 HD22 ASN A 31 -5.180 -11.829 4.080 1.00 4.12 H new ATOM 498 N THR A 32 -3.994 -9.241 8.192 1.00 64.24 N ATOM 499 CA THR A 32 -4.021 -9.870 9.524 1.00 60.15 C ATOM 500 C THR A 32 -5.333 -10.636 9.781 1.00 25.03 C ATOM 501 O THR A 32 -5.605 -11.058 10.906 1.00 55.54 O ATOM 502 CB THR A 32 -3.816 -8.812 10.642 1.00 54.12 C ATOM 503 OG1 THR A 32 -3.825 -9.434 11.938 1.00 73.44 O ATOM 504 CG2 THR A 32 -4.891 -7.727 10.587 1.00 23.21 C ATOM 0 H THR A 32 -4.633 -8.452 8.090 1.00 64.24 H new ATOM 0 HA THR A 32 -3.199 -10.586 9.544 1.00 60.15 H new ATOM 0 HB THR A 32 -2.845 -8.346 10.474 1.00 54.12 H new ATOM 0 HG1 THR A 32 -4.556 -10.086 11.983 1.00 73.44 H new ATOM 0 HG21 THR A 32 -4.718 -7.003 11.383 1.00 23.21 H new ATOM 0 HG22 THR A 32 -4.849 -7.222 9.622 1.00 23.21 H new ATOM 0 HG23 THR A 32 -5.873 -8.181 10.717 1.00 23.21 H new ATOM 512 N SER A 33 -6.140 -10.831 8.739 1.00 53.24 N ATOM 513 CA SER A 33 -7.425 -11.539 8.883 1.00 51.53 C ATOM 514 C SER A 33 -7.248 -13.064 8.890 1.00 12.20 C ATOM 515 O SER A 33 -6.207 -13.594 8.488 1.00 64.54 O ATOM 516 CB SER A 33 -8.396 -11.153 7.756 1.00 5.22 C ATOM 517 OG SER A 33 -7.922 -11.578 6.487 1.00 61.23 O ATOM 0 H SER A 33 -5.935 -10.514 7.791 1.00 53.24 H new ATOM 0 HA SER A 33 -7.838 -11.234 9.845 1.00 51.53 H new ATOM 0 HB2 SER A 33 -9.372 -11.599 7.948 1.00 5.22 H new ATOM 0 HB3 SER A 33 -8.535 -10.072 7.749 1.00 5.22 H new ATOM 0 HG SER A 33 -8.629 -12.073 6.023 1.00 61.23 H new ATOM 523 N GLU A 34 -8.283 -13.764 9.352 1.00 14.53 N ATOM 524 CA GLU A 34 -8.291 -15.235 9.378 1.00 63.13 C ATOM 525 C GLU A 34 -8.751 -15.821 8.032 1.00 42.23 C ATOM 526 O GLU A 34 -8.504 -16.992 7.737 1.00 32.24 O ATOM 527 CB GLU A 34 -9.218 -15.730 10.500 1.00 23.41 C ATOM 528 CG GLU A 34 -8.796 -15.280 11.894 1.00 35.24 C ATOM 529 CD GLU A 34 -9.813 -15.652 12.961 1.00 21.24 C ATOM 530 OE1 GLU A 34 -9.900 -16.845 13.325 1.00 51.43 O ATOM 531 OE2 GLU A 34 -10.541 -14.752 13.438 1.00 34.13 O ATOM 0 H GLU A 34 -9.135 -13.337 9.717 1.00 14.53 H new ATOM 0 HA GLU A 34 -7.271 -15.573 9.563 1.00 63.13 H new ATOM 0 HB2 GLU A 34 -10.230 -15.375 10.305 1.00 23.41 H new ATOM 0 HB3 GLU A 34 -9.252 -16.819 10.475 1.00 23.41 H new ATOM 0 HG2 GLU A 34 -7.834 -15.730 12.141 1.00 35.24 H new ATOM 0 HG3 GLU A 34 -8.652 -14.200 11.895 1.00 35.24 H new ATOM 538 N GLN A 35 -9.417 -15.001 7.218 1.00 64.25 N ATOM 539 CA GLN A 35 -9.961 -15.449 5.925 1.00 73.22 C ATOM 540 C GLN A 35 -9.445 -14.575 4.769 1.00 55.14 C ATOM 541 O GLN A 35 -9.180 -13.383 4.950 1.00 34.13 O ATOM 542 CB GLN A 35 -11.497 -15.415 5.970 1.00 25.45 C ATOM 543 CG GLN A 35 -12.174 -15.993 4.729 1.00 5.21 C ATOM 544 CD GLN A 35 -13.694 -15.997 4.830 1.00 35.21 C ATOM 545 OE1 GLN A 35 -14.257 -16.096 5.916 1.00 42.45 O ATOM 546 NE2 GLN A 35 -14.371 -15.889 3.704 1.00 20.14 N ATOM 0 H GLN A 35 -9.596 -14.019 7.428 1.00 64.25 H new ATOM 0 HA GLN A 35 -9.625 -16.470 5.747 1.00 73.22 H new ATOM 0 HB2 GLN A 35 -11.836 -15.969 6.846 1.00 25.45 H new ATOM 0 HB3 GLN A 35 -11.822 -14.383 6.100 1.00 25.45 H new ATOM 0 HG2 GLN A 35 -11.875 -15.414 3.855 1.00 5.21 H new ATOM 0 HG3 GLN A 35 -11.823 -17.013 4.571 1.00 5.21 H new ATOM 0 HE21 GLN A 35 -13.875 -15.808 2.816 1.00 20.14 H new ATOM 0 HE22 GLN A 35 -15.391 -15.886 3.720 1.00 20.14 H new ATOM 555 N ASP A 36 -9.319 -15.169 3.581 1.00 25.42 N ATOM 556 CA ASP A 36 -8.788 -14.467 2.403 1.00 64.52 C ATOM 557 C ASP A 36 -9.590 -13.191 2.074 1.00 50.01 C ATOM 558 O ASP A 36 -10.820 -13.169 2.165 1.00 21.15 O ATOM 559 CB ASP A 36 -8.778 -15.403 1.187 1.00 13.51 C ATOM 560 CG ASP A 36 -7.973 -16.669 1.431 1.00 61.32 C ATOM 561 OD1 ASP A 36 -6.833 -16.567 1.927 1.00 61.04 O ATOM 562 OD2 ASP A 36 -8.473 -17.769 1.111 1.00 2.14 O ATOM 0 H ASP A 36 -9.578 -16.140 3.405 1.00 25.42 H new ATOM 0 HA ASP A 36 -7.769 -14.164 2.642 1.00 64.52 H new ATOM 0 HB2 ASP A 36 -9.803 -15.672 0.932 1.00 13.51 H new ATOM 0 HB3 ASP A 36 -8.364 -14.873 0.329 1.00 13.51 H new ATOM 567 N GLN A 37 -8.876 -12.133 1.692 1.00 13.43 N ATOM 568 CA GLN A 37 -9.487 -10.834 1.390 1.00 42.43 C ATOM 569 C GLN A 37 -9.555 -10.589 -0.130 1.00 43.42 C ATOM 570 O GLN A 37 -8.522 -10.515 -0.804 1.00 54.30 O ATOM 571 CB GLN A 37 -8.681 -9.712 2.063 1.00 54.14 C ATOM 572 CG GLN A 37 -8.484 -9.905 3.565 1.00 71.11 C ATOM 573 CD GLN A 37 -9.779 -9.807 4.358 1.00 15.22 C ATOM 574 OE1 GLN A 37 -10.156 -8.737 4.825 1.00 41.14 O ATOM 575 NE2 GLN A 37 -10.468 -10.919 4.523 1.00 10.22 N ATOM 0 H GLN A 37 -7.862 -12.149 1.583 1.00 13.43 H new ATOM 0 HA GLN A 37 -10.505 -10.838 1.779 1.00 42.43 H new ATOM 0 HB2 GLN A 37 -7.704 -9.643 1.585 1.00 54.14 H new ATOM 0 HB3 GLN A 37 -9.187 -8.762 1.892 1.00 54.14 H new ATOM 0 HG2 GLN A 37 -8.030 -10.880 3.743 1.00 71.11 H new ATOM 0 HG3 GLN A 37 -7.783 -9.155 3.932 1.00 71.11 H new ATOM 0 HE21 GLN A 37 -10.129 -11.793 4.122 1.00 10.22 H new ATOM 0 HE22 GLN A 37 -11.340 -10.905 5.051 1.00 10.22 H new ATOM 584 N PRO A 38 -10.774 -10.459 -0.695 1.00 24.11 N ATOM 585 CA PRO A 38 -10.954 -10.203 -2.134 1.00 34.10 C ATOM 586 C PRO A 38 -10.536 -8.776 -2.542 1.00 40.13 C ATOM 587 O PRO A 38 -10.982 -7.790 -1.951 1.00 13.53 O ATOM 588 CB PRO A 38 -12.462 -10.414 -2.339 1.00 35.34 C ATOM 589 CG PRO A 38 -13.067 -10.095 -1.014 1.00 52.45 C ATOM 590 CD PRO A 38 -12.067 -10.552 0.017 1.00 21.22 C ATOM 0 HA PRO A 38 -10.331 -10.854 -2.747 1.00 34.10 H new ATOM 0 HB2 PRO A 38 -12.851 -9.762 -3.121 1.00 35.34 H new ATOM 0 HB3 PRO A 38 -12.682 -11.438 -2.640 1.00 35.34 H new ATOM 0 HG2 PRO A 38 -13.263 -9.027 -0.921 1.00 52.45 H new ATOM 0 HG3 PRO A 38 -14.021 -10.607 -0.887 1.00 52.45 H new ATOM 0 HD2 PRO A 38 -12.085 -9.917 0.903 1.00 21.22 H new ATOM 0 HD3 PRO A 38 -12.270 -11.570 0.350 1.00 21.22 H new ATOM 598 N MET A 39 -9.677 -8.674 -3.555 1.00 44.11 N ATOM 599 CA MET A 39 -9.194 -7.374 -4.031 1.00 62.32 C ATOM 600 C MET A 39 -10.229 -6.680 -4.930 1.00 11.02 C ATOM 601 O MET A 39 -10.851 -5.693 -4.535 1.00 62.32 O ATOM 602 CB MET A 39 -7.859 -7.544 -4.774 1.00 72.25 C ATOM 603 CG MET A 39 -7.355 -6.272 -5.453 1.00 33.40 C ATOM 604 SD MET A 39 -7.230 -4.868 -4.325 1.00 14.51 S ATOM 605 CE MET A 39 -5.992 -5.458 -3.168 1.00 22.22 C ATOM 0 H MET A 39 -9.300 -9.474 -4.063 1.00 44.11 H new ATOM 0 HA MET A 39 -9.037 -6.736 -3.161 1.00 62.32 H new ATOM 0 HB2 MET A 39 -7.104 -7.889 -4.068 1.00 72.25 H new ATOM 0 HB3 MET A 39 -7.972 -8.324 -5.527 1.00 72.25 H new ATOM 0 HG2 MET A 39 -6.376 -6.465 -5.893 1.00 33.40 H new ATOM 0 HG3 MET A 39 -8.027 -6.014 -6.272 1.00 33.40 H new ATOM 0 HE1 MET A 39 -5.654 -4.631 -2.544 1.00 22.22 H new ATOM 0 HE2 MET A 39 -6.424 -6.235 -2.538 1.00 22.22 H new ATOM 0 HE3 MET A 39 -5.145 -5.867 -3.719 1.00 22.22 H new ATOM 615 N GLY A 40 -10.427 -7.202 -6.138 1.00 14.32 N ATOM 616 CA GLY A 40 -11.329 -6.563 -7.092 1.00 43.34 C ATOM 617 C GLY A 40 -10.730 -5.310 -7.734 1.00 60.02 C ATOM 618 O GLY A 40 -10.685 -5.192 -8.961 1.00 23.30 O ATOM 0 H GLY A 40 -9.981 -8.055 -6.476 1.00 14.32 H new ATOM 0 HA2 GLY A 40 -11.587 -7.277 -7.874 1.00 43.34 H new ATOM 0 HA3 GLY A 40 -12.256 -6.297 -6.585 1.00 43.34 H new ATOM 622 N GLY A 41 -10.281 -4.368 -6.900 1.00 24.32 N ATOM 623 CA GLY A 41 -9.640 -3.155 -7.399 1.00 54.22 C ATOM 624 C GLY A 41 -9.620 -2.017 -6.378 1.00 32.01 C ATOM 625 O GLY A 41 -10.202 -0.953 -6.617 1.00 5.14 O ATOM 0 H GLY A 41 -10.350 -4.424 -5.884 1.00 24.32 H new ATOM 0 HA2 GLY A 41 -8.617 -3.388 -7.693 1.00 54.22 H new ATOM 0 HA3 GLY A 41 -10.161 -2.820 -8.296 1.00 54.22 H new ATOM 629 N TRP A 42 -8.953 -2.238 -5.242 1.00 31.31 N ATOM 630 CA TRP A 42 -8.803 -1.198 -4.211 1.00 52.42 C ATOM 631 C TRP A 42 -8.006 -0.003 -4.758 1.00 41.34 C ATOM 632 O TRP A 42 -7.193 -0.150 -5.670 1.00 71.13 O ATOM 633 CB TRP A 42 -8.089 -1.755 -2.964 1.00 42.04 C ATOM 634 CG TRP A 42 -8.874 -2.786 -2.198 1.00 13.12 C ATOM 635 CD1 TRP A 42 -9.765 -3.689 -2.701 1.00 24.42 C ATOM 636 CD2 TRP A 42 -8.818 -3.029 -0.785 1.00 44.14 C ATOM 637 NE1 TRP A 42 -10.265 -4.476 -1.692 1.00 31.11 N ATOM 638 CE2 TRP A 42 -9.700 -4.091 -0.507 1.00 52.11 C ATOM 639 CE3 TRP A 42 -8.106 -2.453 0.270 1.00 14.52 C ATOM 640 CZ2 TRP A 42 -9.890 -4.586 0.783 1.00 24.03 C ATOM 641 CZ3 TRP A 42 -8.295 -2.943 1.550 1.00 12.54 C ATOM 642 CH2 TRP A 42 -9.179 -4.003 1.796 1.00 73.53 C ATOM 0 H TRP A 42 -8.507 -3.126 -5.010 1.00 31.31 H new ATOM 0 HA TRP A 42 -9.803 -0.868 -3.930 1.00 52.42 H new ATOM 0 HB2 TRP A 42 -7.140 -2.195 -3.271 1.00 42.04 H new ATOM 0 HB3 TRP A 42 -7.854 -0.926 -2.296 1.00 42.04 H new ATOM 0 HD1 TRP A 42 -10.038 -3.773 -3.743 1.00 24.42 H new ATOM 0 HE1 TRP A 42 -10.947 -5.226 -1.808 1.00 31.11 H new ATOM 0 HE3 TRP A 42 -7.420 -1.639 0.089 1.00 14.52 H new ATOM 0 HZ2 TRP A 42 -10.573 -5.400 0.975 1.00 24.03 H new ATOM 0 HZ3 TRP A 42 -7.753 -2.502 2.373 1.00 12.54 H new ATOM 0 HH2 TRP A 42 -9.301 -4.367 2.806 1.00 73.53 H new ATOM 653 N GLU A 43 -8.232 1.180 -4.201 1.00 34.24 N ATOM 654 CA GLU A 43 -7.534 2.380 -4.662 1.00 40.51 C ATOM 655 C GLU A 43 -6.915 3.153 -3.489 1.00 13.32 C ATOM 656 O GLU A 43 -7.621 3.638 -2.598 1.00 53.40 O ATOM 657 CB GLU A 43 -8.499 3.269 -5.457 1.00 64.33 C ATOM 658 CG GLU A 43 -7.810 4.329 -6.310 1.00 73.20 C ATOM 659 CD GLU A 43 -8.745 4.924 -7.351 1.00 52.30 C ATOM 660 OE1 GLU A 43 -9.233 4.162 -8.217 1.00 40.02 O ATOM 661 OE2 GLU A 43 -9.005 6.146 -7.308 1.00 13.45 O ATOM 0 H GLU A 43 -8.887 1.337 -3.435 1.00 34.24 H new ATOM 0 HA GLU A 43 -6.716 2.074 -5.315 1.00 40.51 H new ATOM 0 HB2 GLU A 43 -9.109 2.638 -6.104 1.00 64.33 H new ATOM 0 HB3 GLU A 43 -9.178 3.763 -4.762 1.00 64.33 H new ATOM 0 HG2 GLU A 43 -7.434 5.123 -5.666 1.00 73.20 H new ATOM 0 HG3 GLU A 43 -6.947 3.887 -6.809 1.00 73.20 H new ATOM 668 N MET A 44 -5.588 3.239 -3.493 1.00 62.40 N ATOM 669 CA MET A 44 -4.836 3.933 -2.445 1.00 54.22 C ATOM 670 C MET A 44 -4.690 5.431 -2.740 1.00 60.03 C ATOM 671 O MET A 44 -3.956 5.829 -3.648 1.00 41.00 O ATOM 672 CB MET A 44 -3.439 3.306 -2.294 1.00 15.12 C ATOM 673 CG MET A 44 -2.493 4.108 -1.405 1.00 42.21 C ATOM 674 SD MET A 44 -0.892 3.308 -1.169 1.00 72.30 S ATOM 675 CE MET A 44 -0.285 3.206 -2.853 1.00 33.22 C ATOM 0 H MET A 44 -5.001 2.831 -4.221 1.00 62.40 H new ATOM 0 HA MET A 44 -5.397 3.824 -1.517 1.00 54.22 H new ATOM 0 HB2 MET A 44 -3.545 2.302 -1.882 1.00 15.12 H new ATOM 0 HB3 MET A 44 -2.991 3.200 -3.282 1.00 15.12 H new ATOM 0 HG2 MET A 44 -2.339 5.093 -1.845 1.00 42.21 H new ATOM 0 HG3 MET A 44 -2.962 4.263 -0.433 1.00 42.21 H new ATOM 0 HE1 MET A 44 0.783 2.986 -2.842 1.00 33.22 H new ATOM 0 HE2 MET A 44 -0.813 2.413 -3.383 1.00 33.22 H new ATOM 0 HE3 MET A 44 -0.455 4.156 -3.359 1.00 33.22 H new ATOM 685 N ILE A 45 -5.382 6.259 -1.966 1.00 4.21 N ATOM 686 CA ILE A 45 -5.176 7.704 -2.028 1.00 32.34 C ATOM 687 C ILE A 45 -3.965 8.077 -1.159 1.00 41.42 C ATOM 688 O ILE A 45 -4.089 8.314 0.043 1.00 60.23 O ATOM 689 CB ILE A 45 -6.430 8.510 -1.573 1.00 63.40 C ATOM 690 CG1 ILE A 45 -7.632 8.256 -2.513 1.00 32.12 C ATOM 691 CG2 ILE A 45 -6.118 10.009 -1.508 1.00 71.51 C ATOM 692 CD1 ILE A 45 -8.238 6.870 -2.402 1.00 65.50 C ATOM 0 H ILE A 45 -6.086 5.959 -1.292 1.00 4.21 H new ATOM 0 HA ILE A 45 -4.994 7.969 -3.069 1.00 32.34 H new ATOM 0 HB ILE A 45 -6.699 8.164 -0.575 1.00 63.40 H new ATOM 0 HG12 ILE A 45 -8.405 8.994 -2.300 1.00 32.12 H new ATOM 0 HG13 ILE A 45 -7.312 8.417 -3.542 1.00 32.12 H new ATOM 0 HG21 ILE A 45 -7.007 10.552 -1.188 1.00 71.51 H new ATOM 0 HG22 ILE A 45 -5.311 10.182 -0.796 1.00 71.51 H new ATOM 0 HG23 ILE A 45 -5.813 10.360 -2.494 1.00 71.51 H new ATOM 0 HD11 ILE A 45 -9.074 6.782 -3.096 1.00 65.50 H new ATOM 0 HD12 ILE A 45 -7.483 6.122 -2.645 1.00 65.50 H new ATOM 0 HD13 ILE A 45 -8.593 6.709 -1.384 1.00 65.50 H new ATOM 704 N ARG A 46 -2.783 8.071 -1.763 1.00 65.35 N ATOM 705 CA ARG A 46 -1.545 8.310 -1.022 1.00 3.41 C ATOM 706 C ARG A 46 -1.355 9.803 -0.715 1.00 22.51 C ATOM 707 O ARG A 46 -0.963 10.585 -1.581 1.00 23.32 O ATOM 708 CB ARG A 46 -0.341 7.756 -1.809 1.00 3.52 C ATOM 709 CG ARG A 46 0.978 7.722 -1.020 1.00 21.01 C ATOM 710 CD ARG A 46 2.037 8.663 -1.598 1.00 43.32 C ATOM 711 NE ARG A 46 1.681 10.069 -1.428 1.00 75.21 N ATOM 712 CZ ARG A 46 2.027 11.021 -2.251 1.00 72.54 C ATOM 713 NH1 ARG A 46 2.722 10.762 -3.310 1.00 12.11 N ATOM 714 NH2 ARG A 46 1.659 12.237 -2.019 1.00 24.34 N ATOM 0 H ARG A 46 -2.653 7.904 -2.761 1.00 65.35 H new ATOM 0 HA ARG A 46 -1.613 7.786 -0.069 1.00 3.41 H new ATOM 0 HB2 ARG A 46 -0.576 6.745 -2.143 1.00 3.52 H new ATOM 0 HB3 ARG A 46 -0.198 8.362 -2.704 1.00 3.52 H new ATOM 0 HG2 ARG A 46 0.783 7.995 0.017 1.00 21.01 H new ATOM 0 HG3 ARG A 46 1.367 6.704 -1.014 1.00 21.01 H new ATOM 0 HD2 ARG A 46 2.994 8.472 -1.112 1.00 43.32 H new ATOM 0 HD3 ARG A 46 2.169 8.450 -2.659 1.00 43.32 H new ATOM 0 HE ARG A 46 1.125 10.324 -0.612 1.00 75.21 H new ATOM 0 HH11 ARG A 46 3.007 9.804 -3.511 1.00 12.11 H new ATOM 0 HH12 ARG A 46 2.985 11.516 -3.944 1.00 12.11 H new ATOM 0 HH21 ARG A 46 1.099 12.452 -1.194 1.00 24.34 H new ATOM 0 HH22 ARG A 46 1.928 12.983 -2.661 1.00 24.34 H new ATOM 728 N LYS A 47 -1.659 10.194 0.517 1.00 24.02 N ATOM 729 CA LYS A 47 -1.431 11.566 0.981 1.00 64.55 C ATOM 730 C LYS A 47 0.013 11.748 1.475 1.00 53.33 C ATOM 731 O LYS A 47 0.822 10.818 1.424 1.00 52.31 O ATOM 732 CB LYS A 47 -2.420 11.920 2.104 1.00 71.22 C ATOM 733 CG LYS A 47 -3.874 12.026 1.647 1.00 72.45 C ATOM 734 CD LYS A 47 -4.807 12.355 2.811 1.00 34.01 C ATOM 735 CE LYS A 47 -6.246 12.576 2.350 1.00 60.01 C ATOM 736 NZ LYS A 47 -6.385 13.784 1.489 1.00 24.11 N ATOM 0 H LYS A 47 -2.067 9.578 1.221 1.00 24.02 H new ATOM 0 HA LYS A 47 -1.592 12.239 0.139 1.00 64.55 H new ATOM 0 HB2 LYS A 47 -2.351 11.164 2.886 1.00 71.22 H new ATOM 0 HB3 LYS A 47 -2.121 12.868 2.551 1.00 71.22 H new ATOM 0 HG2 LYS A 47 -3.960 12.797 0.882 1.00 72.45 H new ATOM 0 HG3 LYS A 47 -4.181 11.086 1.188 1.00 72.45 H new ATOM 0 HD2 LYS A 47 -4.780 11.542 3.537 1.00 34.01 H new ATOM 0 HD3 LYS A 47 -4.449 13.250 3.320 1.00 34.01 H new ATOM 0 HE2 LYS A 47 -6.588 11.699 1.800 1.00 60.01 H new ATOM 0 HE3 LYS A 47 -6.893 12.677 3.221 1.00 60.01 H new ATOM 0 HZ1 LYS A 47 -7.393 13.990 1.341 1.00 24.11 H new ATOM 0 HZ2 LYS A 47 -5.930 14.596 1.954 1.00 24.11 H new ATOM 0 HZ3 LYS A 47 -5.928 13.610 0.571 1.00 24.11 H new ATOM 750 N ILE A 48 0.327 12.953 1.943 1.00 10.42 N ATOM 751 CA ILE A 48 1.654 13.268 2.493 1.00 30.52 C ATOM 752 C ILE A 48 1.650 14.658 3.149 1.00 1.32 C ATOM 753 O ILE A 48 2.300 14.884 4.173 1.00 14.24 O ATOM 754 CB ILE A 48 2.768 13.206 1.406 1.00 42.11 C ATOM 755 CG1 ILE A 48 4.157 13.417 2.040 1.00 25.31 C ATOM 756 CG2 ILE A 48 2.510 14.235 0.304 1.00 74.54 C ATOM 757 CD1 ILE A 48 5.305 13.319 1.054 1.00 53.53 C ATOM 0 H ILE A 48 -0.323 13.739 1.954 1.00 10.42 H new ATOM 0 HA ILE A 48 1.875 12.510 3.245 1.00 30.52 H new ATOM 0 HB ILE A 48 2.748 12.215 0.952 1.00 42.11 H new ATOM 0 HG12 ILE A 48 4.183 14.397 2.516 1.00 25.31 H new ATOM 0 HG13 ILE A 48 4.303 12.677 2.827 1.00 25.31 H new ATOM 0 HG21 ILE A 48 3.301 14.173 -0.444 1.00 74.54 H new ATOM 0 HG22 ILE A 48 1.548 14.031 -0.167 1.00 74.54 H new ATOM 0 HG23 ILE A 48 2.497 15.236 0.736 1.00 74.54 H new ATOM 0 HD11 ILE A 48 6.248 13.479 1.577 1.00 53.53 H new ATOM 0 HD12 ILE A 48 5.307 12.330 0.595 1.00 53.53 H new ATOM 0 HD13 ILE A 48 5.186 14.077 0.280 1.00 53.53 H new ATOM 769 N GLY A 49 0.895 15.580 2.556 1.00 3.23 N ATOM 770 CA GLY A 49 0.781 16.926 3.098 1.00 12.32 C ATOM 771 C GLY A 49 0.041 17.877 2.162 1.00 44.25 C ATOM 772 O GLY A 49 -1.181 18.002 2.229 1.00 55.03 O ATOM 0 H GLY A 49 0.357 15.418 1.705 1.00 3.23 H new ATOM 0 HA2 GLY A 49 0.260 16.885 4.054 1.00 12.32 H new ATOM 0 HA3 GLY A 49 1.778 17.320 3.295 1.00 12.32 H new ATOM 776 N ASP A 50 0.782 18.532 1.270 1.00 44.51 N ATOM 777 CA ASP A 50 0.197 19.505 0.337 1.00 53.20 C ATOM 778 C ASP A 50 -0.311 18.834 -0.955 1.00 24.40 C ATOM 779 O ASP A 50 -0.831 19.506 -1.850 1.00 44.33 O ATOM 780 CB ASP A 50 1.229 20.586 -0.006 1.00 31.04 C ATOM 781 CG ASP A 50 2.410 20.041 -0.793 1.00 64.22 C ATOM 782 OD1 ASP A 50 3.378 19.556 -0.173 1.00 20.33 O ATOM 783 OD2 ASP A 50 2.375 20.097 -2.043 1.00 63.01 O ATOM 0 H ASP A 50 1.790 18.409 1.170 1.00 44.51 H new ATOM 0 HA ASP A 50 -0.662 19.959 0.831 1.00 53.20 H new ATOM 0 HB2 ASP A 50 0.745 21.374 -0.583 1.00 31.04 H new ATOM 0 HB3 ASP A 50 1.591 21.042 0.915 1.00 31.04 H new ATOM 788 N THR A 51 -0.156 17.514 -1.050 1.00 71.41 N ATOM 789 CA THR A 51 -0.554 16.772 -2.258 1.00 62.45 C ATOM 790 C THR A 51 -0.858 15.293 -1.972 1.00 55.52 C ATOM 791 O THR A 51 -0.497 14.756 -0.919 1.00 23.34 O ATOM 792 CB THR A 51 0.539 16.850 -3.350 1.00 74.53 C ATOM 793 OG1 THR A 51 0.147 16.094 -4.509 1.00 4.43 O ATOM 794 CG2 THR A 51 1.882 16.344 -2.830 1.00 45.22 C ATOM 0 H THR A 51 0.240 16.933 -0.311 1.00 71.41 H new ATOM 0 HA THR A 51 -1.468 17.251 -2.611 1.00 62.45 H new ATOM 0 HB THR A 51 0.654 17.898 -3.628 1.00 74.53 H new ATOM 0 HG1 THR A 51 0.848 16.154 -5.191 1.00 4.43 H new ATOM 0 HG21 THR A 51 2.628 16.412 -3.622 1.00 45.22 H new ATOM 0 HG22 THR A 51 2.196 16.952 -1.982 1.00 45.22 H new ATOM 0 HG23 THR A 51 1.782 15.306 -2.514 1.00 45.22 H new ATOM 802 N SER A 52 -1.521 14.646 -2.927 1.00 24.13 N ATOM 803 CA SER A 52 -1.888 13.227 -2.826 1.00 41.33 C ATOM 804 C SER A 52 -2.015 12.598 -4.220 1.00 72.31 C ATOM 805 O SER A 52 -2.369 13.278 -5.185 1.00 15.53 O ATOM 806 CB SER A 52 -3.215 13.065 -2.065 1.00 43.40 C ATOM 807 OG SER A 52 -4.258 13.813 -2.678 1.00 65.22 O ATOM 0 H SER A 52 -1.822 15.087 -3.796 1.00 24.13 H new ATOM 0 HA SER A 52 -1.097 12.715 -2.278 1.00 41.33 H new ATOM 0 HB2 SER A 52 -3.491 12.011 -2.032 1.00 43.40 H new ATOM 0 HB3 SER A 52 -3.087 13.393 -1.033 1.00 43.40 H new ATOM 0 HG SER A 52 -5.089 13.689 -2.174 1.00 65.22 H new ATOM 813 N VAL A 53 -1.714 11.305 -4.325 1.00 52.33 N ATOM 814 CA VAL A 53 -1.825 10.579 -5.599 1.00 64.54 C ATOM 815 C VAL A 53 -2.572 9.244 -5.421 1.00 42.44 C ATOM 816 O VAL A 53 -2.314 8.496 -4.476 1.00 3.30 O ATOM 817 CB VAL A 53 -0.427 10.322 -6.224 1.00 44.23 C ATOM 818 CG1 VAL A 53 0.465 9.535 -5.268 1.00 52.51 C ATOM 819 CG2 VAL A 53 -0.550 9.608 -7.573 1.00 2.21 C ATOM 0 H VAL A 53 -1.390 10.733 -3.545 1.00 52.33 H new ATOM 0 HA VAL A 53 -2.400 11.210 -6.277 1.00 64.54 H new ATOM 0 HB VAL A 53 0.043 11.290 -6.399 1.00 44.23 H new ATOM 0 HG11 VAL A 53 1.438 9.369 -5.731 1.00 52.51 H new ATOM 0 HG12 VAL A 53 0.594 10.099 -4.344 1.00 52.51 H new ATOM 0 HG13 VAL A 53 0.001 8.574 -5.045 1.00 52.51 H new ATOM 0 HG21 VAL A 53 0.444 9.441 -7.988 1.00 2.21 H new ATOM 0 HG22 VAL A 53 -1.051 8.650 -7.433 1.00 2.21 H new ATOM 0 HG23 VAL A 53 -1.131 10.224 -8.259 1.00 2.21 H new ATOM 829 N SER A 54 -3.503 8.956 -6.328 1.00 43.30 N ATOM 830 CA SER A 54 -4.324 7.734 -6.245 1.00 73.43 C ATOM 831 C SER A 54 -3.728 6.579 -7.068 1.00 41.42 C ATOM 832 O SER A 54 -3.696 6.632 -8.296 1.00 13.04 O ATOM 833 CB SER A 54 -5.757 8.017 -6.729 1.00 2.34 C ATOM 834 OG SER A 54 -6.395 9.006 -5.929 1.00 74.35 O ATOM 0 H SER A 54 -3.713 9.548 -7.132 1.00 43.30 H new ATOM 0 HA SER A 54 -4.339 7.431 -5.198 1.00 73.43 H new ATOM 0 HB2 SER A 54 -5.732 8.349 -7.767 1.00 2.34 H new ATOM 0 HB3 SER A 54 -6.339 7.096 -6.702 1.00 2.34 H new ATOM 0 HG SER A 54 -7.302 9.163 -6.265 1.00 74.35 H new ATOM 840 N TYR A 55 -3.250 5.540 -6.382 1.00 74.14 N ATOM 841 CA TYR A 55 -2.782 4.313 -7.045 1.00 23.34 C ATOM 842 C TYR A 55 -3.815 3.192 -6.898 1.00 44.11 C ATOM 843 O TYR A 55 -4.179 2.814 -5.785 1.00 15.22 O ATOM 844 CB TYR A 55 -1.440 3.854 -6.458 1.00 62.52 C ATOM 845 CG TYR A 55 -0.994 2.484 -6.956 1.00 62.14 C ATOM 846 CD1 TYR A 55 -0.561 2.302 -8.266 1.00 41.12 C ATOM 847 CD2 TYR A 55 -1.017 1.373 -6.114 1.00 34.44 C ATOM 848 CE1 TYR A 55 -0.165 1.057 -8.721 1.00 12.32 C ATOM 849 CE2 TYR A 55 -0.620 0.128 -6.564 1.00 63.12 C ATOM 850 CZ TYR A 55 -0.196 -0.026 -7.868 1.00 4.40 C ATOM 851 OH TYR A 55 0.195 -1.267 -8.321 1.00 15.31 O ATOM 0 H TYR A 55 -3.175 5.520 -5.365 1.00 74.14 H new ATOM 0 HA TYR A 55 -2.647 4.537 -8.103 1.00 23.34 H new ATOM 0 HB2 TYR A 55 -0.674 4.589 -6.706 1.00 62.52 H new ATOM 0 HB3 TYR A 55 -1.518 3.829 -5.371 1.00 62.52 H new ATOM 0 HD1 TYR A 55 -0.534 3.147 -8.939 1.00 41.12 H new ATOM 0 HD2 TYR A 55 -1.351 1.487 -5.093 1.00 34.44 H new ATOM 0 HE1 TYR A 55 0.167 0.934 -9.741 1.00 12.32 H new ATOM 0 HE2 TYR A 55 -0.642 -0.721 -5.897 1.00 63.12 H new ATOM 0 HH TYR A 55 0.872 -1.161 -9.021 1.00 15.31 H new ATOM 861 N LYS A 56 -4.275 2.648 -8.016 1.00 33.21 N ATOM 862 CA LYS A 56 -5.293 1.596 -7.988 1.00 74.23 C ATOM 863 C LYS A 56 -4.645 0.203 -8.052 1.00 30.00 C ATOM 864 O LYS A 56 -3.999 -0.147 -9.040 1.00 1.01 O ATOM 865 CB LYS A 56 -6.284 1.788 -9.145 1.00 12.32 C ATOM 866 CG LYS A 56 -7.613 1.068 -8.939 1.00 74.32 C ATOM 867 CD LYS A 56 -8.622 1.418 -10.032 1.00 43.24 C ATOM 868 CE LYS A 56 -10.033 0.992 -9.651 1.00 44.05 C ATOM 869 NZ LYS A 56 -10.458 1.595 -8.360 1.00 54.21 N ATOM 0 H LYS A 56 -3.964 2.913 -8.951 1.00 33.21 H new ATOM 0 HA LYS A 56 -5.838 1.668 -7.047 1.00 74.23 H new ATOM 0 HB2 LYS A 56 -6.474 2.853 -9.276 1.00 12.32 H new ATOM 0 HB3 LYS A 56 -5.826 1.430 -10.067 1.00 12.32 H new ATOM 0 HG2 LYS A 56 -7.446 -0.009 -8.930 1.00 74.32 H new ATOM 0 HG3 LYS A 56 -8.024 1.335 -7.965 1.00 74.32 H new ATOM 0 HD2 LYS A 56 -8.603 2.492 -10.215 1.00 43.24 H new ATOM 0 HD3 LYS A 56 -8.334 0.931 -10.963 1.00 43.24 H new ATOM 0 HE2 LYS A 56 -10.728 1.288 -10.437 1.00 44.05 H new ATOM 0 HE3 LYS A 56 -10.078 -0.095 -9.578 1.00 44.05 H new ATOM 0 HZ1 LYS A 56 -11.482 1.777 -8.382 1.00 54.21 H new ATOM 0 HZ2 LYS A 56 -10.240 0.940 -7.582 1.00 54.21 H new ATOM 0 HZ3 LYS A 56 -9.950 2.490 -8.211 1.00 54.21 H new ATOM 883 N TYR A 57 -4.823 -0.581 -6.988 1.00 71.30 N ATOM 884 CA TYR A 57 -4.241 -1.924 -6.903 1.00 20.53 C ATOM 885 C TYR A 57 -4.767 -2.840 -8.018 1.00 42.22 C ATOM 886 O TYR A 57 -5.973 -3.065 -8.142 1.00 54.41 O ATOM 887 CB TYR A 57 -4.534 -2.554 -5.534 1.00 35.33 C ATOM 888 CG TYR A 57 -3.877 -1.828 -4.370 1.00 41.35 C ATOM 889 CD1 TYR A 57 -2.557 -2.096 -4.012 1.00 55.10 C ATOM 890 CD2 TYR A 57 -4.572 -0.876 -3.632 1.00 41.12 C ATOM 891 CE1 TYR A 57 -1.957 -1.438 -2.955 1.00 12.33 C ATOM 892 CE2 TYR A 57 -3.976 -0.215 -2.575 1.00 35.30 C ATOM 893 CZ TYR A 57 -2.670 -0.499 -2.242 1.00 22.24 C ATOM 894 OH TYR A 57 -2.075 0.159 -1.189 1.00 50.12 O ATOM 0 H TYR A 57 -5.367 -0.309 -6.169 1.00 71.30 H new ATOM 0 HA TYR A 57 -3.163 -1.819 -7.028 1.00 20.53 H new ATOM 0 HB2 TYR A 57 -5.612 -2.572 -5.376 1.00 35.33 H new ATOM 0 HB3 TYR A 57 -4.195 -3.590 -5.541 1.00 35.33 H new ATOM 0 HD1 TYR A 57 -1.994 -2.830 -4.570 1.00 55.10 H new ATOM 0 HD2 TYR A 57 -5.596 -0.649 -3.890 1.00 41.12 H new ATOM 0 HE1 TYR A 57 -0.934 -1.659 -2.689 1.00 12.33 H new ATOM 0 HE2 TYR A 57 -4.532 0.521 -2.013 1.00 35.30 H new ATOM 0 HH TYR A 57 -1.813 1.060 -1.472 1.00 50.12 H new ATOM 904 N THR A 58 -3.849 -3.364 -8.824 1.00 5.50 N ATOM 905 CA THR A 58 -4.209 -4.254 -9.933 1.00 33.24 C ATOM 906 C THR A 58 -4.776 -5.594 -9.436 1.00 31.35 C ATOM 907 O THR A 58 -4.199 -6.253 -8.570 1.00 13.43 O ATOM 908 CB THR A 58 -2.999 -4.520 -10.866 1.00 62.32 C ATOM 909 OG1 THR A 58 -3.329 -5.514 -11.854 1.00 54.52 O ATOM 910 CG2 THR A 58 -1.774 -4.965 -10.071 1.00 14.34 C ATOM 0 H THR A 58 -2.848 -3.190 -8.733 1.00 5.50 H new ATOM 0 HA THR A 58 -4.986 -3.738 -10.498 1.00 33.24 H new ATOM 0 HB THR A 58 -2.760 -3.584 -11.370 1.00 62.32 H new ATOM 0 HG1 THR A 58 -2.555 -5.668 -12.435 1.00 54.52 H new ATOM 0 HG21 THR A 58 -0.943 -5.144 -10.753 1.00 14.34 H new ATOM 0 HG22 THR A 58 -1.499 -4.186 -9.360 1.00 14.34 H new ATOM 0 HG23 THR A 58 -2.004 -5.884 -9.531 1.00 14.34 H new ATOM 918 N SER A 59 -5.900 -6.002 -10.020 1.00 20.51 N ATOM 919 CA SER A 59 -6.619 -7.223 -9.615 1.00 22.33 C ATOM 920 C SER A 59 -5.911 -8.520 -10.055 1.00 33.13 C ATOM 921 O SER A 59 -6.545 -9.571 -10.156 1.00 12.35 O ATOM 922 CB SER A 59 -8.036 -7.190 -10.203 1.00 73.32 C ATOM 923 OG SER A 59 -7.998 -6.985 -11.608 1.00 4.45 O ATOM 0 H SER A 59 -6.344 -5.500 -10.789 1.00 20.51 H new ATOM 0 HA SER A 59 -6.646 -7.233 -8.525 1.00 22.33 H new ATOM 0 HB2 SER A 59 -8.547 -8.127 -9.982 1.00 73.32 H new ATOM 0 HB3 SER A 59 -8.611 -6.394 -9.731 1.00 73.32 H new ATOM 0 HG SER A 59 -8.912 -6.969 -11.961 1.00 4.45 H new ATOM 929 N ARG A 60 -4.597 -8.460 -10.278 1.00 41.12 N ATOM 930 CA ARG A 60 -3.829 -9.643 -10.699 1.00 71.14 C ATOM 931 C ARG A 60 -3.642 -10.647 -9.543 1.00 63.53 C ATOM 932 O ARG A 60 -3.150 -11.761 -9.750 1.00 50.41 O ATOM 933 CB ARG A 60 -2.449 -9.230 -11.239 1.00 43.42 C ATOM 934 CG ARG A 60 -1.548 -8.576 -10.192 1.00 63.03 C ATOM 935 CD ARG A 60 -0.078 -8.580 -10.607 1.00 72.23 C ATOM 936 NE ARG A 60 0.171 -7.811 -11.826 1.00 31.42 N ATOM 937 CZ ARG A 60 0.816 -8.270 -12.864 1.00 45.30 C ATOM 938 NH1 ARG A 60 1.163 -9.515 -12.916 1.00 63.15 N ATOM 939 NH2 ARG A 60 1.081 -7.487 -13.859 1.00 70.10 N ATOM 0 H ARG A 60 -4.041 -7.611 -10.176 1.00 41.12 H new ATOM 0 HA ARG A 60 -4.402 -10.129 -11.489 1.00 71.14 H new ATOM 0 HB2 ARG A 60 -1.947 -10.111 -11.638 1.00 43.42 H new ATOM 0 HB3 ARG A 60 -2.586 -8.538 -12.070 1.00 43.42 H new ATOM 0 HG2 ARG A 60 -1.874 -7.549 -10.027 1.00 63.03 H new ATOM 0 HG3 ARG A 60 -1.657 -9.102 -9.243 1.00 63.03 H new ATOM 0 HD2 ARG A 60 0.524 -8.171 -9.796 1.00 72.23 H new ATOM 0 HD3 ARG A 60 0.249 -9.609 -10.759 1.00 72.23 H new ATOM 0 HE ARG A 60 -0.182 -6.855 -11.868 1.00 31.42 H new ATOM 0 HH11 ARG A 60 0.933 -10.141 -12.145 1.00 63.15 H new ATOM 0 HH12 ARG A 60 1.667 -9.870 -13.728 1.00 63.15 H new ATOM 0 HH21 ARG A 60 0.786 -6.511 -13.833 1.00 70.10 H new ATOM 0 HH22 ARG A 60 1.585 -7.846 -14.670 1.00 70.10 H new ATOM 953 N TYR A 61 -4.031 -10.255 -8.330 1.00 15.30 N ATOM 954 CA TYR A 61 -3.825 -11.099 -7.147 1.00 43.54 C ATOM 955 C TYR A 61 -4.963 -10.950 -6.122 1.00 14.11 C ATOM 956 O TYR A 61 -5.526 -9.866 -5.953 1.00 42.30 O ATOM 957 CB TYR A 61 -2.486 -10.745 -6.478 1.00 20.45 C ATOM 958 CG TYR A 61 -2.439 -9.336 -5.900 1.00 45.02 C ATOM 959 CD1 TYR A 61 -2.294 -8.226 -6.725 1.00 40.33 C ATOM 960 CD2 TYR A 61 -2.549 -9.118 -4.530 1.00 43.33 C ATOM 961 CE1 TYR A 61 -2.255 -6.946 -6.204 1.00 30.35 C ATOM 962 CE2 TYR A 61 -2.511 -7.840 -4.004 1.00 42.41 C ATOM 963 CZ TYR A 61 -2.365 -6.759 -4.844 1.00 63.22 C ATOM 964 OH TYR A 61 -2.330 -5.485 -4.322 1.00 3.43 O ATOM 0 H TYR A 61 -4.488 -9.364 -8.138 1.00 15.30 H new ATOM 0 HA TYR A 61 -3.814 -12.135 -7.486 1.00 43.54 H new ATOM 0 HB2 TYR A 61 -2.289 -11.461 -5.680 1.00 20.45 H new ATOM 0 HB3 TYR A 61 -1.685 -10.854 -7.210 1.00 20.45 H new ATOM 0 HD1 TYR A 61 -2.210 -8.366 -7.793 1.00 40.33 H new ATOM 0 HD2 TYR A 61 -2.666 -9.962 -3.866 1.00 43.33 H new ATOM 0 HE1 TYR A 61 -2.139 -6.096 -6.861 1.00 30.35 H new ATOM 0 HE2 TYR A 61 -2.596 -7.690 -2.938 1.00 42.41 H new ATOM 0 HH TYR A 61 -2.421 -5.528 -3.347 1.00 3.43 H new ATOM 974 N VAL A 62 -5.294 -12.048 -5.449 1.00 21.12 N ATOM 975 CA VAL A 62 -6.222 -12.021 -4.312 1.00 53.51 C ATOM 976 C VAL A 62 -5.432 -12.082 -2.994 1.00 35.03 C ATOM 977 O VAL A 62 -4.638 -13.000 -2.782 1.00 4.34 O ATOM 978 CB VAL A 62 -7.227 -13.202 -4.367 1.00 65.25 C ATOM 979 CG1 VAL A 62 -8.193 -13.157 -3.180 1.00 34.12 C ATOM 980 CG2 VAL A 62 -7.989 -13.201 -5.693 1.00 24.35 C ATOM 0 H VAL A 62 -4.933 -12.976 -5.670 1.00 21.12 H new ATOM 0 HA VAL A 62 -6.788 -11.091 -4.365 1.00 53.51 H new ATOM 0 HB VAL A 62 -6.661 -14.131 -4.301 1.00 65.25 H new ATOM 0 HG11 VAL A 62 -8.886 -13.996 -3.243 1.00 34.12 H new ATOM 0 HG12 VAL A 62 -7.629 -13.222 -2.249 1.00 34.12 H new ATOM 0 HG13 VAL A 62 -8.752 -12.222 -3.201 1.00 34.12 H new ATOM 0 HG21 VAL A 62 -8.688 -14.037 -5.711 1.00 24.35 H new ATOM 0 HG22 VAL A 62 -8.539 -12.265 -5.796 1.00 24.35 H new ATOM 0 HG23 VAL A 62 -7.284 -13.300 -6.518 1.00 24.35 H new ATOM 990 N LEU A 63 -5.648 -11.111 -2.111 1.00 5.04 N ATOM 991 CA LEU A 63 -4.847 -10.996 -0.888 1.00 0.34 C ATOM 992 C LEU A 63 -5.242 -12.073 0.144 1.00 74.01 C ATOM 993 O LEU A 63 -6.234 -11.937 0.859 1.00 71.24 O ATOM 994 CB LEU A 63 -4.994 -9.582 -0.293 1.00 73.25 C ATOM 995 CG LEU A 63 -3.745 -9.015 0.412 1.00 24.54 C ATOM 996 CD1 LEU A 63 -3.311 -9.903 1.571 1.00 72.44 C ATOM 997 CD2 LEU A 63 -2.599 -8.835 -0.580 1.00 43.52 C ATOM 0 H LEU A 63 -6.366 -10.394 -2.215 1.00 5.04 H new ATOM 0 HA LEU A 63 -3.801 -11.161 -1.146 1.00 0.34 H new ATOM 0 HB2 LEU A 63 -5.277 -8.899 -1.094 1.00 73.25 H new ATOM 0 HB3 LEU A 63 -5.817 -9.593 0.421 1.00 73.25 H new ATOM 0 HG LEU A 63 -4.010 -8.039 0.818 1.00 24.54 H new ATOM 0 HD11 LEU A 63 -2.428 -9.475 2.046 1.00 72.44 H new ATOM 0 HD12 LEU A 63 -4.119 -9.971 2.300 1.00 72.44 H new ATOM 0 HD13 LEU A 63 -3.075 -10.899 1.197 1.00 72.44 H new ATOM 0 HD21 LEU A 63 -1.728 -8.434 -0.061 1.00 43.52 H new ATOM 0 HD22 LEU A 63 -2.346 -9.799 -1.022 1.00 43.52 H new ATOM 0 HD23 LEU A 63 -2.903 -8.144 -1.366 1.00 43.52 H new ATOM 1009 N LYS A 64 -4.455 -13.146 0.203 1.00 5.45 N ATOM 1010 CA LYS A 64 -4.719 -14.263 1.120 1.00 35.21 C ATOM 1011 C LYS A 64 -4.556 -13.869 2.600 1.00 20.04 C ATOM 1012 O LYS A 64 -3.982 -12.828 2.930 1.00 1.21 O ATOM 1013 CB LYS A 64 -3.777 -15.436 0.809 1.00 31.41 C ATOM 1014 CG LYS A 64 -4.013 -16.092 -0.548 1.00 52.34 C ATOM 1015 CD LYS A 64 -3.024 -17.230 -0.805 1.00 14.00 C ATOM 1016 CE LYS A 64 -3.075 -18.290 0.295 1.00 12.41 C ATOM 1017 NZ LYS A 64 -2.119 -19.399 0.046 1.00 25.41 N ATOM 0 H LYS A 64 -3.624 -13.269 -0.375 1.00 5.45 H new ATOM 0 HA LYS A 64 -5.758 -14.555 0.965 1.00 35.21 H new ATOM 0 HB2 LYS A 64 -2.747 -15.081 0.853 1.00 31.41 H new ATOM 0 HB3 LYS A 64 -3.887 -16.191 1.588 1.00 31.41 H new ATOM 0 HG2 LYS A 64 -5.032 -16.478 -0.594 1.00 52.34 H new ATOM 0 HG3 LYS A 64 -3.920 -15.344 -1.335 1.00 52.34 H new ATOM 0 HD2 LYS A 64 -3.246 -17.694 -1.766 1.00 14.00 H new ATOM 0 HD3 LYS A 64 -2.014 -16.825 -0.872 1.00 14.00 H new ATOM 0 HE2 LYS A 64 -2.850 -17.826 1.255 1.00 12.41 H new ATOM 0 HE3 LYS A 64 -4.086 -18.692 0.364 1.00 12.41 H new ATOM 0 HZ1 LYS A 64 -2.187 -20.095 0.816 1.00 25.41 H new ATOM 0 HZ2 LYS A 64 -2.349 -19.859 -0.858 1.00 25.41 H new ATOM 0 HZ3 LYS A 64 -1.151 -19.021 0.006 1.00 25.41 H new ATOM 1031 N ALA A 65 -5.066 -14.721 3.489 1.00 61.30 N ATOM 1032 CA ALA A 65 -4.885 -14.538 4.933 1.00 64.00 C ATOM 1033 C ALA A 65 -3.400 -14.638 5.324 1.00 14.24 C ATOM 1034 O ALA A 65 -2.724 -15.617 4.997 1.00 4.31 O ATOM 1035 CB ALA A 65 -5.704 -15.571 5.699 1.00 74.05 C ATOM 0 H ALA A 65 -5.609 -15.547 3.236 1.00 61.30 H new ATOM 0 HA ALA A 65 -5.235 -13.540 5.195 1.00 64.00 H new ATOM 0 HB1 ALA A 65 -5.562 -15.426 6.770 1.00 74.05 H new ATOM 0 HB2 ALA A 65 -6.759 -15.453 5.453 1.00 74.05 H new ATOM 0 HB3 ALA A 65 -5.377 -16.573 5.422 1.00 74.05 H new ATOM 1041 N GLY A 66 -2.892 -13.614 6.009 1.00 0.30 N ATOM 1042 CA GLY A 66 -1.485 -13.591 6.404 1.00 52.44 C ATOM 1043 C GLY A 66 -0.527 -13.344 5.237 1.00 11.22 C ATOM 1044 O GLY A 66 0.678 -13.586 5.354 1.00 22.04 O ATOM 0 H GLY A 66 -3.428 -12.797 6.300 1.00 0.30 H new ATOM 0 HA2 GLY A 66 -1.339 -12.814 7.154 1.00 52.44 H new ATOM 0 HA3 GLY A 66 -1.233 -14.541 6.876 1.00 52.44 H new ATOM 1048 N GLN A 67 -1.059 -12.858 4.113 1.00 72.03 N ATOM 1049 CA GLN A 67 -0.249 -12.579 2.919 1.00 54.14 C ATOM 1050 C GLN A 67 0.259 -11.123 2.906 1.00 30.12 C ATOM 1051 O GLN A 67 -0.361 -10.225 3.487 1.00 15.43 O ATOM 1052 CB GLN A 67 -1.075 -12.866 1.654 1.00 4.32 C ATOM 1053 CG GLN A 67 -0.310 -12.685 0.344 1.00 70.32 C ATOM 1054 CD GLN A 67 0.880 -13.625 0.203 1.00 50.30 C ATOM 1055 OE1 GLN A 67 1.879 -13.285 -0.417 1.00 74.53 O ATOM 1056 NE2 GLN A 67 0.782 -14.816 0.764 1.00 70.25 N ATOM 0 H GLN A 67 -2.051 -12.648 4.002 1.00 72.03 H new ATOM 0 HA GLN A 67 0.624 -13.232 2.940 1.00 54.14 H new ATOM 0 HB2 GLN A 67 -1.449 -13.889 1.704 1.00 4.32 H new ATOM 0 HB3 GLN A 67 -1.945 -12.209 1.646 1.00 4.32 H new ATOM 0 HG2 GLN A 67 -0.992 -12.846 -0.491 1.00 70.32 H new ATOM 0 HG3 GLN A 67 0.040 -11.655 0.276 1.00 70.32 H new ATOM 0 HE21 GLN A 67 -0.063 -15.071 1.275 1.00 70.25 H new ATOM 0 HE22 GLN A 67 1.552 -15.481 0.687 1.00 70.25 H new ATOM 1065 N THR A 68 1.393 -10.900 2.241 1.00 24.14 N ATOM 1066 CA THR A 68 2.003 -9.564 2.144 1.00 54.22 C ATOM 1067 C THR A 68 2.168 -9.113 0.686 1.00 42.43 C ATOM 1068 O THR A 68 2.436 -9.925 -0.200 1.00 40.23 O ATOM 1069 CB THR A 68 3.398 -9.532 2.814 1.00 63.25 C ATOM 1070 OG1 THR A 68 4.265 -10.500 2.201 1.00 61.11 O ATOM 1071 CG2 THR A 68 3.300 -9.815 4.310 1.00 60.20 C ATOM 0 H THR A 68 1.915 -11.630 1.757 1.00 24.14 H new ATOM 0 HA THR A 68 1.323 -8.886 2.660 1.00 54.22 H new ATOM 0 HB THR A 68 3.809 -8.532 2.676 1.00 63.25 H new ATOM 0 HG1 THR A 68 5.145 -10.470 2.631 1.00 61.11 H new ATOM 0 HG21 THR A 68 4.296 -9.786 4.752 1.00 60.20 H new ATOM 0 HG22 THR A 68 2.671 -9.061 4.783 1.00 60.20 H new ATOM 0 HG23 THR A 68 2.863 -10.801 4.466 1.00 60.20 H new ATOM 1079 N VAL A 69 2.016 -7.814 0.451 1.00 50.12 N ATOM 1080 CA VAL A 69 2.245 -7.220 -0.874 1.00 23.40 C ATOM 1081 C VAL A 69 3.050 -5.916 -0.744 1.00 45.33 C ATOM 1082 O VAL A 69 2.804 -5.114 0.157 1.00 70.21 O ATOM 1083 CB VAL A 69 0.908 -6.949 -1.621 1.00 64.44 C ATOM 1084 CG1 VAL A 69 0.006 -6.008 -0.827 1.00 64.44 C ATOM 1085 CG2 VAL A 69 1.169 -6.394 -3.020 1.00 71.43 C ATOM 0 H VAL A 69 1.733 -7.142 1.164 1.00 50.12 H new ATOM 0 HA VAL A 69 2.817 -7.938 -1.462 1.00 23.40 H new ATOM 0 HB VAL A 69 0.388 -7.902 -1.721 1.00 64.44 H new ATOM 0 HG11 VAL A 69 -0.919 -5.840 -1.378 1.00 64.44 H new ATOM 0 HG12 VAL A 69 -0.224 -6.454 0.141 1.00 64.44 H new ATOM 0 HG13 VAL A 69 0.516 -5.057 -0.676 1.00 64.44 H new ATOM 0 HG21 VAL A 69 0.219 -6.213 -3.523 1.00 71.43 H new ATOM 0 HG22 VAL A 69 1.723 -5.459 -2.943 1.00 71.43 H new ATOM 0 HG23 VAL A 69 1.751 -7.114 -3.594 1.00 71.43 H new ATOM 1095 N THR A 70 4.018 -5.712 -1.633 1.00 62.41 N ATOM 1096 CA THR A 70 4.932 -4.566 -1.524 1.00 0.10 C ATOM 1097 C THR A 70 4.835 -3.630 -2.738 1.00 42.25 C ATOM 1098 O THR A 70 5.046 -4.048 -3.874 1.00 50.45 O ATOM 1099 CB THR A 70 6.397 -5.040 -1.381 1.00 34.23 C ATOM 1100 OG1 THR A 70 6.510 -6.009 -0.323 1.00 21.24 O ATOM 1101 CG2 THR A 70 7.328 -3.869 -1.096 1.00 31.11 C ATOM 0 H THR A 70 4.194 -6.318 -2.434 1.00 62.41 H new ATOM 0 HA THR A 70 4.629 -4.016 -0.633 1.00 0.10 H new ATOM 0 HB THR A 70 6.690 -5.498 -2.326 1.00 34.23 H new ATOM 0 HG1 THR A 70 7.442 -6.301 -0.245 1.00 21.24 H new ATOM 0 HG21 THR A 70 8.351 -4.233 -1.000 1.00 31.11 H new ATOM 0 HG22 THR A 70 7.273 -3.152 -1.915 1.00 31.11 H new ATOM 0 HG23 THR A 70 7.028 -3.383 -0.168 1.00 31.11 H new ATOM 1109 N ILE A 71 4.525 -2.359 -2.490 1.00 41.31 N ATOM 1110 CA ILE A 71 4.429 -1.353 -3.556 1.00 61.01 C ATOM 1111 C ILE A 71 5.750 -0.574 -3.708 1.00 64.43 C ATOM 1112 O ILE A 71 6.085 0.259 -2.867 1.00 64.02 O ATOM 1113 CB ILE A 71 3.282 -0.347 -3.269 1.00 32.42 C ATOM 1114 CG1 ILE A 71 1.959 -1.089 -2.999 1.00 54.21 C ATOM 1115 CG2 ILE A 71 3.117 0.634 -4.431 1.00 72.05 C ATOM 1116 CD1 ILE A 71 1.487 -1.950 -4.153 1.00 55.21 C ATOM 0 H ILE A 71 4.334 -1.996 -1.556 1.00 41.31 H new ATOM 0 HA ILE A 71 4.219 -1.888 -4.482 1.00 61.01 H new ATOM 0 HB ILE A 71 3.546 0.220 -2.376 1.00 32.42 H new ATOM 0 HG12 ILE A 71 2.081 -1.717 -2.117 1.00 54.21 H new ATOM 0 HG13 ILE A 71 1.186 -0.357 -2.765 1.00 54.21 H new ATOM 0 HG21 ILE A 71 2.308 1.329 -4.208 1.00 72.05 H new ATOM 0 HG22 ILE A 71 4.044 1.189 -4.573 1.00 72.05 H new ATOM 0 HG23 ILE A 71 2.881 0.083 -5.342 1.00 72.05 H new ATOM 0 HD11 ILE A 71 0.550 -2.438 -3.884 1.00 55.21 H new ATOM 0 HD12 ILE A 71 1.331 -1.326 -5.033 1.00 55.21 H new ATOM 0 HD13 ILE A 71 2.240 -2.707 -4.374 1.00 55.21 H new ATOM 1128 N TRP A 72 6.499 -0.857 -4.774 1.00 63.20 N ATOM 1129 CA TRP A 72 7.777 -0.173 -5.041 1.00 5.24 C ATOM 1130 C TRP A 72 7.579 1.063 -5.936 1.00 34.45 C ATOM 1131 O TRP A 72 7.078 0.952 -7.055 1.00 12.24 O ATOM 1132 CB TRP A 72 8.756 -1.140 -5.717 1.00 21.32 C ATOM 1133 CG TRP A 72 9.170 -2.293 -4.850 1.00 12.10 C ATOM 1134 CD1 TRP A 72 8.504 -3.470 -4.676 1.00 64.43 C ATOM 1135 CD2 TRP A 72 10.349 -2.377 -4.041 1.00 20.54 C ATOM 1136 NE1 TRP A 72 9.194 -4.280 -3.808 1.00 71.23 N ATOM 1137 CE2 TRP A 72 10.332 -3.632 -3.403 1.00 70.44 C ATOM 1138 CE3 TRP A 72 11.418 -1.512 -3.795 1.00 63.34 C ATOM 1139 CZ2 TRP A 72 11.341 -4.041 -2.536 1.00 14.10 C ATOM 1140 CZ3 TRP A 72 12.419 -1.916 -2.934 1.00 3.14 C ATOM 1141 CH2 TRP A 72 12.377 -3.172 -2.315 1.00 70.50 C ATOM 0 H TRP A 72 6.247 -1.557 -5.472 1.00 63.20 H new ATOM 0 HA TRP A 72 8.183 0.158 -4.085 1.00 5.24 H new ATOM 0 HB2 TRP A 72 8.298 -1.529 -6.626 1.00 21.32 H new ATOM 0 HB3 TRP A 72 9.646 -0.588 -6.019 1.00 21.32 H new ATOM 0 HD1 TRP A 72 7.569 -3.728 -5.152 1.00 64.43 H new ATOM 0 HE1 TRP A 72 8.906 -5.213 -3.512 1.00 71.23 H new ATOM 0 HE3 TRP A 72 11.461 -0.543 -4.270 1.00 63.34 H new ATOM 0 HZ2 TRP A 72 11.309 -5.008 -2.055 1.00 14.10 H new ATOM 0 HZ3 TRP A 72 13.248 -1.253 -2.735 1.00 3.14 H new ATOM 0 HH2 TRP A 72 13.177 -3.461 -1.650 1.00 70.50 H new ATOM 1152 N ALA A 73 8.005 2.230 -5.459 1.00 34.34 N ATOM 1153 CA ALA A 73 7.761 3.493 -6.171 1.00 40.25 C ATOM 1154 C ALA A 73 8.733 3.722 -7.347 1.00 44.32 C ATOM 1155 O ALA A 73 9.725 4.443 -7.217 1.00 11.24 O ATOM 1156 CB ALA A 73 7.819 4.665 -5.195 1.00 22.14 C ATOM 0 H ALA A 73 8.520 2.333 -4.585 1.00 34.34 H new ATOM 0 HA ALA A 73 6.763 3.424 -6.604 1.00 40.25 H new ATOM 0 HB1 ALA A 73 7.637 5.596 -5.733 1.00 22.14 H new ATOM 0 HB2 ALA A 73 7.058 4.536 -4.425 1.00 22.14 H new ATOM 0 HB3 ALA A 73 8.804 4.702 -4.729 1.00 22.14 H new ATOM 1162 N ALA A 74 8.439 3.080 -8.484 1.00 44.53 N ATOM 1163 CA ALA A 74 9.168 3.277 -9.754 1.00 74.41 C ATOM 1164 C ALA A 74 10.668 2.908 -9.690 1.00 34.23 C ATOM 1165 O ALA A 74 11.096 1.928 -10.302 1.00 21.13 O ATOM 1166 CB ALA A 74 8.997 4.707 -10.253 1.00 72.11 C ATOM 0 H ALA A 74 7.681 2.401 -8.554 1.00 44.53 H new ATOM 0 HA ALA A 74 8.719 2.579 -10.461 1.00 74.41 H new ATOM 0 HB1 ALA A 74 9.541 4.833 -11.189 1.00 72.11 H new ATOM 0 HB2 ALA A 74 7.939 4.911 -10.418 1.00 72.11 H new ATOM 0 HB3 ALA A 74 9.389 5.401 -9.509 1.00 72.11 H new ATOM 1172 N ASN A 75 11.461 3.695 -8.958 1.00 44.01 N ATOM 1173 CA ASN A 75 12.929 3.534 -8.918 1.00 34.10 C ATOM 1174 C ASN A 75 13.387 2.294 -8.119 1.00 62.23 C ATOM 1175 O ASN A 75 14.431 2.325 -7.466 1.00 24.00 O ATOM 1176 CB ASN A 75 13.570 4.793 -8.313 1.00 61.32 C ATOM 1177 CG ASN A 75 13.248 6.057 -9.091 1.00 35.31 C ATOM 1178 OD1 ASN A 75 13.012 6.021 -10.294 1.00 2.21 O ATOM 1179 ND2 ASN A 75 13.250 7.188 -8.412 1.00 23.41 N ATOM 0 H ASN A 75 11.113 4.458 -8.378 1.00 44.01 H new ATOM 0 HA ASN A 75 13.255 3.388 -9.948 1.00 34.10 H new ATOM 0 HB2 ASN A 75 13.228 4.909 -7.285 1.00 61.32 H new ATOM 0 HB3 ASN A 75 14.651 4.661 -8.276 1.00 61.32 H new ATOM 0 HD21 ASN A 75 13.051 8.068 -8.887 1.00 23.41 H new ATOM 0 HD22 ASN A 75 13.450 7.182 -7.412 1.00 23.41 H new ATOM 1186 N ALA A 76 12.634 1.200 -8.197 1.00 70.43 N ATOM 1187 CA ALA A 76 12.979 -0.034 -7.482 1.00 12.43 C ATOM 1188 C ALA A 76 14.143 -0.790 -8.149 1.00 61.32 C ATOM 1189 O ALA A 76 15.116 -1.158 -7.492 1.00 54.41 O ATOM 1190 CB ALA A 76 11.759 -0.940 -7.392 1.00 24.01 C ATOM 0 H ALA A 76 11.778 1.139 -8.749 1.00 70.43 H new ATOM 0 HA ALA A 76 13.305 0.251 -6.482 1.00 12.43 H new ATOM 0 HB1 ALA A 76 12.023 -1.854 -6.860 1.00 24.01 H new ATOM 0 HB2 ALA A 76 10.962 -0.425 -6.855 1.00 24.01 H new ATOM 0 HB3 ALA A 76 11.417 -1.191 -8.396 1.00 24.01 H new ATOM 1196 N GLY A 77 14.030 -1.013 -9.458 1.00 74.15 N ATOM 1197 CA GLY A 77 15.035 -1.790 -10.183 1.00 44.01 C ATOM 1198 C GLY A 77 14.867 -3.300 -10.006 1.00 65.04 C ATOM 1199 O GLY A 77 15.853 -4.032 -9.900 1.00 73.42 O ATOM 0 H GLY A 77 13.261 -0.671 -10.034 1.00 74.15 H new ATOM 0 HA2 GLY A 77 14.979 -1.546 -11.244 1.00 44.01 H new ATOM 0 HA3 GLY A 77 16.028 -1.498 -9.841 1.00 44.01 H new ATOM 1203 N VAL A 78 13.616 -3.766 -9.983 1.00 33.44 N ATOM 1204 CA VAL A 78 13.317 -5.194 -9.782 1.00 53.13 C ATOM 1205 C VAL A 78 12.922 -5.896 -11.095 1.00 51.53 C ATOM 1206 O VAL A 78 12.758 -5.255 -12.137 1.00 13.15 O ATOM 1207 CB VAL A 78 12.191 -5.390 -8.730 1.00 61.13 C ATOM 1208 CG1 VAL A 78 12.628 -4.867 -7.363 1.00 52.23 C ATOM 1209 CG2 VAL A 78 10.902 -4.706 -9.182 1.00 54.13 C ATOM 0 H VAL A 78 12.791 -3.178 -10.101 1.00 33.44 H new ATOM 0 HA VAL A 78 14.235 -5.652 -9.414 1.00 53.13 H new ATOM 0 HB VAL A 78 11.996 -6.459 -8.639 1.00 61.13 H new ATOM 0 HG11 VAL A 78 11.823 -5.015 -6.643 1.00 52.23 H new ATOM 0 HG12 VAL A 78 13.515 -5.408 -7.033 1.00 52.23 H new ATOM 0 HG13 VAL A 78 12.858 -3.804 -7.437 1.00 52.23 H new ATOM 0 HG21 VAL A 78 10.127 -4.856 -8.430 1.00 54.13 H new ATOM 0 HG22 VAL A 78 11.082 -3.639 -9.309 1.00 54.13 H new ATOM 0 HG23 VAL A 78 10.576 -5.134 -10.130 1.00 54.13 H new ATOM 1219 N THR A 79 12.767 -7.221 -11.033 1.00 60.42 N ATOM 1220 CA THR A 79 12.448 -8.030 -12.223 1.00 33.32 C ATOM 1221 C THR A 79 11.038 -7.752 -12.768 1.00 34.34 C ATOM 1222 O THR A 79 10.060 -8.343 -12.306 1.00 44.25 O ATOM 1223 CB THR A 79 12.567 -9.549 -11.931 1.00 13.45 C ATOM 1224 OG1 THR A 79 13.867 -9.856 -11.404 1.00 51.20 O ATOM 1225 CG2 THR A 79 12.326 -10.377 -13.194 1.00 74.35 C ATOM 0 H THR A 79 12.856 -7.761 -10.173 1.00 60.42 H new ATOM 0 HA THR A 79 13.181 -7.737 -12.975 1.00 33.32 H new ATOM 0 HB THR A 79 11.804 -9.804 -11.195 1.00 13.45 H new ATOM 0 HG1 THR A 79 13.928 -10.817 -11.223 1.00 51.20 H new ATOM 0 HG21 THR A 79 12.416 -11.437 -12.957 1.00 74.35 H new ATOM 0 HG22 THR A 79 11.326 -10.175 -13.576 1.00 74.35 H new ATOM 0 HG23 THR A 79 13.064 -10.110 -13.950 1.00 74.35 H new ATOM 1233 N ALA A 80 10.950 -6.842 -13.741 1.00 63.53 N ATOM 1234 CA ALA A 80 9.700 -6.556 -14.470 1.00 11.42 C ATOM 1235 C ALA A 80 8.507 -6.266 -13.541 1.00 53.14 C ATOM 1236 O ALA A 80 8.216 -5.108 -13.231 1.00 50.35 O ATOM 1237 CB ALA A 80 9.369 -7.703 -15.425 1.00 74.43 C ATOM 0 H ALA A 80 11.742 -6.279 -14.050 1.00 63.53 H new ATOM 0 HA ALA A 80 9.874 -5.644 -15.041 1.00 11.42 H new ATOM 0 HB1 ALA A 80 8.444 -7.479 -15.956 1.00 74.43 H new ATOM 0 HB2 ALA A 80 10.180 -7.824 -16.143 1.00 74.43 H new ATOM 0 HB3 ALA A 80 9.247 -8.625 -14.857 1.00 74.43 H new ATOM 1243 N SER A 81 7.821 -7.324 -13.105 1.00 44.12 N ATOM 1244 CA SER A 81 6.643 -7.185 -12.244 1.00 3.41 C ATOM 1245 C SER A 81 6.168 -8.537 -11.686 1.00 25.41 C ATOM 1246 O SER A 81 5.691 -9.399 -12.430 1.00 74.10 O ATOM 1247 CB SER A 81 5.482 -6.520 -12.996 1.00 11.15 C ATOM 1248 OG SER A 81 4.329 -6.411 -12.171 1.00 12.21 O ATOM 0 H SER A 81 8.061 -8.289 -13.334 1.00 44.12 H new ATOM 0 HA SER A 81 6.948 -6.554 -11.410 1.00 3.41 H new ATOM 0 HB2 SER A 81 5.785 -5.529 -13.335 1.00 11.15 H new ATOM 0 HB3 SER A 81 5.242 -7.101 -13.886 1.00 11.15 H new ATOM 0 HG SER A 81 3.606 -5.983 -12.675 1.00 12.21 H new ATOM 1254 N PRO A 82 6.336 -8.746 -10.366 1.00 22.44 N ATOM 1255 CA PRO A 82 5.662 -9.842 -9.615 1.00 53.14 C ATOM 1256 C PRO A 82 4.146 -9.929 -9.968 1.00 32.35 C ATOM 1257 O PRO A 82 3.589 -8.943 -10.456 1.00 13.14 O ATOM 1258 CB PRO A 82 5.914 -9.404 -8.180 1.00 12.24 C ATOM 1259 CG PRO A 82 7.240 -8.732 -8.228 1.00 25.21 C ATOM 1260 CD PRO A 82 7.227 -7.946 -9.498 1.00 70.41 C ATOM 0 HA PRO A 82 6.029 -10.844 -9.835 1.00 53.14 H new ATOM 0 HB2 PRO A 82 5.137 -8.725 -7.829 1.00 12.24 H new ATOM 0 HB3 PRO A 82 5.924 -10.256 -7.500 1.00 12.24 H new ATOM 0 HG2 PRO A 82 7.386 -8.084 -7.364 1.00 25.21 H new ATOM 0 HG3 PRO A 82 8.052 -9.459 -8.222 1.00 25.21 H new ATOM 0 HD2 PRO A 82 6.845 -6.937 -9.346 1.00 70.41 H new ATOM 0 HD3 PRO A 82 8.226 -7.848 -9.924 1.00 70.41 H new ATOM 1268 N PRO A 83 3.393 -11.054 -9.732 1.00 74.05 N ATOM 1269 CA PRO A 83 3.412 -12.050 -8.635 1.00 24.40 C ATOM 1270 C PRO A 83 4.261 -11.834 -7.363 1.00 0.55 C ATOM 1271 O PRO A 83 5.182 -12.603 -7.089 1.00 74.21 O ATOM 1272 CB PRO A 83 3.786 -13.281 -9.446 1.00 22.44 C ATOM 1273 CG PRO A 83 2.969 -13.102 -10.712 1.00 55.51 C ATOM 1274 CD PRO A 83 2.515 -11.638 -10.741 1.00 54.25 C ATOM 0 HA PRO A 83 2.467 -12.053 -8.092 1.00 24.40 H new ATOM 0 HB2 PRO A 83 4.855 -13.320 -9.655 1.00 22.44 H new ATOM 0 HB3 PRO A 83 3.530 -14.203 -8.925 1.00 22.44 H new ATOM 0 HG2 PRO A 83 3.564 -13.340 -11.593 1.00 55.51 H new ATOM 0 HG3 PRO A 83 2.110 -13.773 -10.717 1.00 55.51 H new ATOM 0 HD2 PRO A 83 2.654 -11.183 -11.722 1.00 54.25 H new ATOM 0 HD3 PRO A 83 1.461 -11.528 -10.484 1.00 54.25 H new ATOM 1282 N THR A 84 3.893 -10.778 -6.601 1.00 72.35 N ATOM 1283 CA THR A 84 4.255 -10.561 -5.163 1.00 60.43 C ATOM 1284 C THR A 84 4.400 -9.056 -4.844 1.00 64.31 C ATOM 1285 O THR A 84 3.594 -8.495 -4.101 1.00 21.04 O ATOM 1286 CB THR A 84 5.500 -11.344 -4.617 1.00 43.13 C ATOM 1287 OG1 THR A 84 5.651 -11.079 -3.213 1.00 1.31 O ATOM 1288 CG2 THR A 84 6.808 -10.998 -5.324 1.00 15.12 C ATOM 0 H THR A 84 3.317 -10.023 -6.974 1.00 72.35 H new ATOM 0 HA THR A 84 3.408 -10.994 -4.632 1.00 60.43 H new ATOM 0 HB THR A 84 5.305 -12.399 -4.809 1.00 43.13 H new ATOM 0 HG1 THR A 84 6.427 -11.569 -2.869 1.00 1.31 H new ATOM 0 HG21 THR A 84 7.621 -11.580 -4.890 1.00 15.12 H new ATOM 0 HG22 THR A 84 6.721 -11.231 -6.385 1.00 15.12 H new ATOM 0 HG23 THR A 84 7.017 -9.935 -5.202 1.00 15.12 H new ATOM 1296 N ASP A 85 5.418 -8.405 -5.405 1.00 43.24 N ATOM 1297 CA ASP A 85 5.562 -6.948 -5.312 1.00 32.13 C ATOM 1298 C ASP A 85 4.797 -6.257 -6.462 1.00 4.13 C ATOM 1299 O ASP A 85 4.275 -6.921 -7.356 1.00 12.20 O ATOM 1300 CB ASP A 85 7.046 -6.563 -5.380 1.00 63.02 C ATOM 1301 CG ASP A 85 7.915 -7.373 -4.430 1.00 12.34 C ATOM 1302 OD1 ASP A 85 7.998 -7.017 -3.238 1.00 4.41 O ATOM 1303 OD2 ASP A 85 8.525 -8.366 -4.875 1.00 61.35 O ATOM 0 H ASP A 85 6.161 -8.864 -5.932 1.00 43.24 H new ATOM 0 HA ASP A 85 5.145 -6.619 -4.360 1.00 32.13 H new ATOM 0 HB2 ASP A 85 7.405 -6.702 -6.400 1.00 63.02 H new ATOM 0 HB3 ASP A 85 7.152 -5.504 -5.146 1.00 63.02 H new ATOM 1308 N LEU A 86 4.735 -4.927 -6.437 1.00 70.41 N ATOM 1309 CA LEU A 86 4.099 -4.150 -7.514 1.00 24.15 C ATOM 1310 C LEU A 86 4.905 -2.882 -7.832 1.00 71.20 C ATOM 1311 O LEU A 86 5.267 -2.124 -6.932 1.00 75.11 O ATOM 1312 CB LEU A 86 2.659 -3.764 -7.134 1.00 40.02 C ATOM 1313 CG LEU A 86 1.661 -4.931 -7.018 1.00 54.11 C ATOM 1314 CD1 LEU A 86 0.287 -4.427 -6.583 1.00 61.30 C ATOM 1315 CD2 LEU A 86 1.557 -5.691 -8.342 1.00 11.30 C ATOM 0 H LEU A 86 5.117 -4.358 -5.682 1.00 70.41 H new ATOM 0 HA LEU A 86 4.075 -4.782 -8.402 1.00 24.15 H new ATOM 0 HB2 LEU A 86 2.684 -3.236 -6.181 1.00 40.02 H new ATOM 0 HB3 LEU A 86 2.283 -3.062 -7.878 1.00 40.02 H new ATOM 0 HG LEU A 86 2.032 -5.617 -6.257 1.00 54.11 H new ATOM 0 HD11 LEU A 86 -0.402 -5.268 -6.508 1.00 61.30 H new ATOM 0 HD12 LEU A 86 0.369 -3.937 -5.613 1.00 61.30 H new ATOM 0 HD13 LEU A 86 -0.089 -3.715 -7.318 1.00 61.30 H new ATOM 0 HD21 LEU A 86 0.846 -6.511 -8.236 1.00 11.30 H new ATOM 0 HD22 LEU A 86 1.215 -5.013 -9.125 1.00 11.30 H new ATOM 0 HD23 LEU A 86 2.535 -6.091 -8.610 1.00 11.30 H new ATOM 1327 N ILE A 87 5.182 -2.656 -9.115 1.00 54.31 N ATOM 1328 CA ILE A 87 5.932 -1.469 -9.546 1.00 14.41 C ATOM 1329 C ILE A 87 4.993 -0.274 -9.778 1.00 33.23 C ATOM 1330 O ILE A 87 4.246 -0.223 -10.760 1.00 2.23 O ATOM 1331 CB ILE A 87 6.770 -1.736 -10.832 1.00 3.42 C ATOM 1332 CG1 ILE A 87 7.900 -2.756 -10.564 1.00 34.41 C ATOM 1333 CG2 ILE A 87 7.355 -0.428 -11.379 1.00 53.45 C ATOM 1334 CD1 ILE A 87 7.423 -4.157 -10.226 1.00 72.25 C ATOM 0 H ILE A 87 4.901 -3.275 -9.875 1.00 54.31 H new ATOM 0 HA ILE A 87 6.623 -1.230 -8.738 1.00 14.41 H new ATOM 0 HB ILE A 87 6.101 -2.160 -11.580 1.00 3.42 H new ATOM 0 HG12 ILE A 87 8.541 -2.808 -11.444 1.00 34.41 H new ATOM 0 HG13 ILE A 87 8.515 -2.388 -9.743 1.00 34.41 H new ATOM 0 HG21 ILE A 87 7.937 -0.637 -12.277 1.00 53.45 H new ATOM 0 HG22 ILE A 87 6.545 0.259 -11.623 1.00 53.45 H new ATOM 0 HG23 ILE A 87 8.000 0.025 -10.626 1.00 53.45 H new ATOM 0 HD11 ILE A 87 8.284 -4.803 -10.054 1.00 72.25 H new ATOM 0 HD12 ILE A 87 6.808 -4.125 -9.327 1.00 72.25 H new ATOM 0 HD13 ILE A 87 6.834 -4.550 -11.054 1.00 72.25 H new ATOM 1346 N TRP A 88 5.032 0.674 -8.852 1.00 40.04 N ATOM 1347 CA TRP A 88 4.214 1.885 -8.921 1.00 11.33 C ATOM 1348 C TRP A 88 4.759 2.860 -9.983 1.00 3.00 C ATOM 1349 O TRP A 88 5.711 3.596 -9.733 1.00 13.42 O ATOM 1350 CB TRP A 88 4.196 2.552 -7.535 1.00 41.14 C ATOM 1351 CG TRP A 88 3.163 3.628 -7.361 1.00 0.53 C ATOM 1352 CD1 TRP A 88 2.279 4.094 -8.292 1.00 51.21 C ATOM 1353 CD2 TRP A 88 2.907 4.366 -6.163 1.00 2.24 C ATOM 1354 NE1 TRP A 88 1.487 5.072 -7.740 1.00 60.14 N ATOM 1355 CE2 TRP A 88 1.856 5.258 -6.435 1.00 51.11 C ATOM 1356 CE3 TRP A 88 3.466 4.355 -4.882 1.00 2.11 C ATOM 1357 CZ2 TRP A 88 1.353 6.131 -5.477 1.00 15.30 C ATOM 1358 CZ3 TRP A 88 2.966 5.223 -3.931 1.00 61.41 C ATOM 1359 CH2 TRP A 88 1.918 6.098 -4.232 1.00 40.43 C ATOM 0 H TRP A 88 5.632 0.628 -8.028 1.00 40.04 H new ATOM 0 HA TRP A 88 3.199 1.616 -9.213 1.00 11.33 H new ATOM 0 HB2 TRP A 88 4.028 1.783 -6.781 1.00 41.14 H new ATOM 0 HB3 TRP A 88 5.180 2.979 -7.341 1.00 41.14 H new ATOM 0 HD1 TRP A 88 2.212 3.745 -9.312 1.00 51.21 H new ATOM 0 HE1 TRP A 88 0.745 5.577 -8.224 1.00 60.14 H new ATOM 0 HE3 TRP A 88 4.274 3.680 -4.640 1.00 2.11 H new ATOM 0 HZ2 TRP A 88 0.546 6.810 -5.708 1.00 15.30 H new ATOM 0 HZ3 TRP A 88 3.392 5.226 -2.938 1.00 61.41 H new ATOM 0 HH2 TRP A 88 1.547 6.762 -3.465 1.00 40.43 H new ATOM 1370 N LYS A 89 4.162 2.849 -11.175 1.00 3.25 N ATOM 1371 CA LYS A 89 4.602 3.731 -12.267 1.00 35.54 C ATOM 1372 C LYS A 89 4.202 5.202 -12.032 1.00 52.44 C ATOM 1373 O LYS A 89 4.879 6.123 -12.496 1.00 14.02 O ATOM 1374 CB LYS A 89 4.017 3.258 -13.608 1.00 25.53 C ATOM 1375 CG LYS A 89 4.461 1.861 -14.046 1.00 25.42 C ATOM 1376 CD LYS A 89 3.932 1.526 -15.443 1.00 53.31 C ATOM 1377 CE LYS A 89 4.353 0.134 -15.913 1.00 33.50 C ATOM 1378 NZ LYS A 89 3.786 -0.945 -15.060 1.00 23.20 N ATOM 0 H LYS A 89 3.376 2.244 -11.413 1.00 3.25 H new ATOM 0 HA LYS A 89 5.690 3.677 -12.293 1.00 35.54 H new ATOM 0 HB2 LYS A 89 2.929 3.273 -13.539 1.00 25.53 H new ATOM 0 HB3 LYS A 89 4.297 3.972 -14.382 1.00 25.53 H new ATOM 0 HG2 LYS A 89 5.550 1.805 -14.043 1.00 25.42 H new ATOM 0 HG3 LYS A 89 4.102 1.121 -13.331 1.00 25.42 H new ATOM 0 HD2 LYS A 89 2.844 1.591 -15.441 1.00 53.31 H new ATOM 0 HD3 LYS A 89 4.294 2.270 -16.153 1.00 53.31 H new ATOM 0 HE2 LYS A 89 4.029 -0.013 -16.943 1.00 33.50 H new ATOM 0 HE3 LYS A 89 5.441 0.065 -15.908 1.00 33.50 H new ATOM 0 HZ1 LYS A 89 3.984 -1.870 -15.492 1.00 23.20 H new ATOM 0 HZ2 LYS A 89 4.219 -0.904 -14.115 1.00 23.20 H new ATOM 0 HZ3 LYS A 89 2.758 -0.816 -14.975 1.00 23.20 H new ATOM 1392 N ASN A 90 3.104 5.415 -11.306 1.00 42.14 N ATOM 1393 CA ASN A 90 2.533 6.762 -11.127 1.00 55.44 C ATOM 1394 C ASN A 90 3.388 7.659 -10.211 1.00 32.13 C ATOM 1395 O ASN A 90 3.221 8.879 -10.203 1.00 21.24 O ATOM 1396 CB ASN A 90 1.114 6.663 -10.558 1.00 34.22 C ATOM 1397 CG ASN A 90 0.235 5.725 -11.359 1.00 5.40 C ATOM 1398 OD1 ASN A 90 0.171 4.532 -11.081 1.00 64.20 O ATOM 1399 ND2 ASN A 90 -0.440 6.247 -12.360 1.00 55.41 N ATOM 0 H ASN A 90 2.588 4.675 -10.830 1.00 42.14 H new ATOM 0 HA ASN A 90 2.514 7.225 -12.114 1.00 55.44 H new ATOM 0 HB2 ASN A 90 1.163 6.318 -9.525 1.00 34.22 H new ATOM 0 HB3 ASN A 90 0.662 7.655 -10.541 1.00 34.22 H new ATOM 0 HD21 ASN A 90 -1.041 5.655 -12.934 1.00 55.41 H new ATOM 0 HD22 ASN A 90 -0.363 7.244 -12.562 1.00 55.41 H new ATOM 1406 N GLN A 91 4.294 7.065 -9.435 1.00 62.21 N ATOM 1407 CA GLN A 91 5.156 7.844 -8.535 1.00 31.35 C ATOM 1408 C GLN A 91 6.551 7.222 -8.406 1.00 55.31 C ATOM 1409 O GLN A 91 6.694 6.006 -8.322 1.00 22.24 O ATOM 1410 CB GLN A 91 4.528 7.962 -7.138 1.00 1.54 C ATOM 1411 CG GLN A 91 5.366 8.804 -6.176 1.00 25.41 C ATOM 1412 CD GLN A 91 4.890 8.736 -4.737 1.00 30.20 C ATOM 1413 OE1 GLN A 91 3.710 8.570 -4.459 1.00 33.31 O ATOM 1414 NE2 GLN A 91 5.812 8.866 -3.807 1.00 73.13 N ATOM 0 H GLN A 91 4.452 6.058 -9.408 1.00 62.21 H new ATOM 0 HA GLN A 91 5.254 8.836 -8.975 1.00 31.35 H new ATOM 0 HB2 GLN A 91 3.535 8.403 -7.228 1.00 1.54 H new ATOM 0 HB3 GLN A 91 4.397 6.964 -6.719 1.00 1.54 H new ATOM 0 HG2 GLN A 91 6.403 8.471 -6.223 1.00 25.41 H new ATOM 0 HG3 GLN A 91 5.350 9.843 -6.507 1.00 25.41 H new ATOM 0 HE21 GLN A 91 6.787 9.003 -4.072 1.00 73.13 H new ATOM 0 HE22 GLN A 91 5.551 8.830 -2.822 1.00 73.13 H new ATOM 1423 N ASN A 92 7.577 8.072 -8.396 1.00 70.22 N ATOM 1424 CA ASN A 92 8.952 7.623 -8.143 1.00 14.35 C ATOM 1425 C ASN A 92 9.283 7.671 -6.639 1.00 23.24 C ATOM 1426 O ASN A 92 8.421 7.961 -5.807 1.00 64.10 O ATOM 1427 CB ASN A 92 9.960 8.479 -8.930 1.00 61.23 C ATOM 1428 CG ASN A 92 9.861 8.296 -10.439 1.00 33.21 C ATOM 1429 OD1 ASN A 92 10.864 8.335 -11.144 1.00 30.55 O ATOM 1430 ND2 ASN A 92 8.663 8.115 -10.955 1.00 15.10 N ATOM 0 H ASN A 92 7.486 9.075 -8.560 1.00 70.22 H new ATOM 0 HA ASN A 92 9.029 6.590 -8.481 1.00 14.35 H new ATOM 0 HB2 ASN A 92 9.800 9.530 -8.688 1.00 61.23 H new ATOM 0 HB3 ASN A 92 10.970 8.227 -8.606 1.00 61.23 H new ATOM 0 HD21 ASN A 92 8.553 8.003 -11.963 1.00 15.10 H new ATOM 0 HD22 ASN A 92 7.845 8.086 -10.347 1.00 15.10 H new ATOM 1437 N SER A 93 10.540 7.387 -6.299 1.00 24.20 N ATOM 1438 CA SER A 93 10.992 7.395 -4.898 1.00 43.03 C ATOM 1439 C SER A 93 10.724 8.749 -4.217 1.00 70.34 C ATOM 1440 O SER A 93 11.222 9.787 -4.657 1.00 23.52 O ATOM 1441 CB SER A 93 12.489 7.064 -4.828 1.00 42.43 C ATOM 1442 OG SER A 93 13.258 7.982 -5.593 1.00 33.43 O ATOM 0 H SER A 93 11.268 7.148 -6.972 1.00 24.20 H new ATOM 0 HA SER A 93 10.422 6.635 -4.363 1.00 43.03 H new ATOM 0 HB2 SER A 93 12.820 7.086 -3.790 1.00 42.43 H new ATOM 0 HB3 SER A 93 12.657 6.051 -5.195 1.00 42.43 H new ATOM 0 HG SER A 93 12.859 8.875 -5.530 1.00 33.43 H new ATOM 1448 N TRP A 94 9.938 8.734 -3.139 1.00 63.21 N ATOM 1449 CA TRP A 94 9.561 9.975 -2.443 1.00 55.13 C ATOM 1450 C TRP A 94 10.740 10.605 -1.683 1.00 75.22 C ATOM 1451 O TRP A 94 10.880 11.828 -1.667 1.00 22.15 O ATOM 1452 CB TRP A 94 8.362 9.744 -1.501 1.00 12.30 C ATOM 1453 CG TRP A 94 8.502 8.567 -0.570 1.00 52.51 C ATOM 1454 CD1 TRP A 94 9.094 8.547 0.662 1.00 64.01 C ATOM 1455 CD2 TRP A 94 8.009 7.240 -0.797 1.00 54.20 C ATOM 1456 NE1 TRP A 94 9.011 7.286 1.204 1.00 44.04 N ATOM 1457 CE2 TRP A 94 8.350 6.468 0.329 1.00 35.41 C ATOM 1458 CE3 TRP A 94 7.318 6.632 -1.845 1.00 21.35 C ATOM 1459 CZ2 TRP A 94 8.019 5.118 0.434 1.00 65.51 C ATOM 1460 CZ3 TRP A 94 6.990 5.294 -1.740 1.00 1.41 C ATOM 1461 CH2 TRP A 94 7.343 4.550 -0.607 1.00 61.24 C ATOM 0 H TRP A 94 9.550 7.885 -2.728 1.00 63.21 H new ATOM 0 HA TRP A 94 9.262 10.686 -3.213 1.00 55.13 H new ATOM 0 HB2 TRP A 94 8.209 10.644 -0.905 1.00 12.30 H new ATOM 0 HB3 TRP A 94 7.466 9.606 -2.105 1.00 12.30 H new ATOM 0 HD1 TRP A 94 9.559 9.397 1.140 1.00 64.01 H new ATOM 0 HE1 TRP A 94 9.382 7.006 2.112 1.00 44.04 H new ATOM 0 HE3 TRP A 94 7.044 7.197 -2.723 1.00 21.35 H new ATOM 0 HZ2 TRP A 94 8.288 4.542 1.307 1.00 65.51 H new ATOM 0 HZ3 TRP A 94 6.453 4.814 -2.545 1.00 1.41 H new ATOM 0 HH2 TRP A 94 7.075 3.505 -0.556 1.00 61.24 H new ATOM 1472 N GLY A 95 11.579 9.775 -1.062 1.00 62.12 N ATOM 1473 CA GLY A 95 12.748 10.277 -0.335 1.00 32.20 C ATOM 1474 C GLY A 95 12.411 11.334 0.721 1.00 62.41 C ATOM 1475 O GLY A 95 12.844 12.486 0.620 1.00 32.03 O ATOM 0 H GLY A 95 11.474 8.761 -1.047 1.00 62.12 H new ATOM 0 HA2 GLY A 95 13.250 9.440 0.150 1.00 32.20 H new ATOM 0 HA3 GLY A 95 13.454 10.702 -1.049 1.00 32.20 H new ATOM 1479 N THR A 96 11.648 10.942 1.742 1.00 20.02 N ATOM 1480 CA THR A 96 11.207 11.887 2.783 1.00 14.21 C ATOM 1481 C THR A 96 10.605 11.179 4.010 1.00 65.24 C ATOM 1482 O THR A 96 11.133 11.276 5.119 1.00 4.32 O ATOM 1483 CB THR A 96 10.179 12.917 2.234 1.00 33.41 C ATOM 1484 OG1 THR A 96 9.572 13.625 3.318 1.00 3.35 O ATOM 1485 CG2 THR A 96 9.088 12.254 1.391 1.00 14.30 C ATOM 0 H THR A 96 11.321 9.985 1.875 1.00 20.02 H new ATOM 0 HA THR A 96 12.109 12.413 3.097 1.00 14.21 H new ATOM 0 HB THR A 96 10.726 13.606 1.591 1.00 33.41 H new ATOM 0 HG1 THR A 96 8.927 14.273 2.965 1.00 3.35 H new ATOM 0 HG21 THR A 96 8.395 13.014 1.030 1.00 14.30 H new ATOM 0 HG22 THR A 96 9.543 11.746 0.541 1.00 14.30 H new ATOM 0 HG23 THR A 96 8.548 11.529 2.000 1.00 14.30 H new ATOM 1493 N GLY A 97 9.493 10.471 3.809 1.00 75.03 N ATOM 1494 CA GLY A 97 8.812 9.811 4.918 1.00 70.32 C ATOM 1495 C GLY A 97 8.079 10.782 5.845 1.00 65.14 C ATOM 1496 O GLY A 97 7.614 10.390 6.917 1.00 70.05 O ATOM 0 H GLY A 97 9.051 10.342 2.899 1.00 75.03 H new ATOM 0 HA2 GLY A 97 8.097 9.091 4.519 1.00 70.32 H new ATOM 0 HA3 GLY A 97 9.542 9.247 5.499 1.00 70.32 H new ATOM 1500 N GLU A 98 7.967 12.047 5.438 1.00 43.40 N ATOM 1501 CA GLU A 98 7.265 13.059 6.238 1.00 34.04 C ATOM 1502 C GLU A 98 5.742 12.832 6.251 1.00 41.15 C ATOM 1503 O GLU A 98 4.992 13.488 5.522 1.00 22.42 O ATOM 1504 CB GLU A 98 7.590 14.471 5.728 1.00 54.34 C ATOM 1505 CG GLU A 98 9.023 14.916 6.005 1.00 52.11 C ATOM 1506 CD GLU A 98 9.348 14.958 7.489 1.00 51.30 C ATOM 1507 OE1 GLU A 98 8.697 15.735 8.219 1.00 13.24 O ATOM 1508 OE2 GLU A 98 10.254 14.221 7.935 1.00 72.33 O ATOM 0 H GLU A 98 8.352 12.398 4.561 1.00 43.40 H new ATOM 0 HA GLU A 98 7.619 12.961 7.264 1.00 34.04 H new ATOM 0 HB2 GLU A 98 7.410 14.509 4.654 1.00 54.34 H new ATOM 0 HB3 GLU A 98 6.904 15.180 6.191 1.00 54.34 H new ATOM 0 HG2 GLU A 98 9.713 14.236 5.505 1.00 52.11 H new ATOM 0 HG3 GLU A 98 9.182 15.905 5.574 1.00 52.11 H new ATOM 1515 N ASP A 99 5.312 11.875 7.074 1.00 22.13 N ATOM 1516 CA ASP A 99 3.890 11.569 7.285 1.00 32.21 C ATOM 1517 C ASP A 99 3.174 11.150 5.980 1.00 62.14 C ATOM 1518 O ASP A 99 1.973 11.386 5.810 1.00 50.12 O ATOM 1519 CB ASP A 99 3.183 12.767 7.946 1.00 60.31 C ATOM 1520 CG ASP A 99 1.779 12.428 8.427 1.00 24.04 C ATOM 1521 OD1 ASP A 99 1.621 11.429 9.157 1.00 2.43 O ATOM 1522 OD2 ASP A 99 0.826 13.162 8.082 1.00 10.32 O ATOM 0 H ASP A 99 5.941 11.285 7.618 1.00 22.13 H new ATOM 0 HA ASP A 99 3.835 10.711 7.955 1.00 32.21 H new ATOM 0 HB2 ASP A 99 3.778 13.114 8.791 1.00 60.31 H new ATOM 0 HB3 ASP A 99 3.130 13.590 7.234 1.00 60.31 H new ATOM 1527 N VAL A 100 3.906 10.504 5.067 1.00 73.11 N ATOM 1528 CA VAL A 100 3.289 9.941 3.860 1.00 74.21 C ATOM 1529 C VAL A 100 2.200 8.927 4.257 1.00 50.11 C ATOM 1530 O VAL A 100 2.468 7.939 4.947 1.00 44.50 O ATOM 1531 CB VAL A 100 4.338 9.287 2.918 1.00 51.35 C ATOM 1532 CG1 VAL A 100 5.148 8.213 3.638 1.00 61.44 C ATOM 1533 CG2 VAL A 100 3.664 8.720 1.670 1.00 24.34 C ATOM 0 H VAL A 100 4.913 10.359 5.138 1.00 73.11 H new ATOM 0 HA VAL A 100 2.833 10.759 3.303 1.00 74.21 H new ATOM 0 HB VAL A 100 5.035 10.066 2.607 1.00 51.35 H new ATOM 0 HG11 VAL A 100 5.871 7.778 2.948 1.00 61.44 H new ATOM 0 HG12 VAL A 100 5.675 8.659 4.482 1.00 61.44 H new ATOM 0 HG13 VAL A 100 4.478 7.433 4.000 1.00 61.44 H new ATOM 0 HG21 VAL A 100 4.416 8.267 1.024 1.00 24.34 H new ATOM 0 HG22 VAL A 100 2.934 7.965 1.962 1.00 24.34 H new ATOM 0 HG23 VAL A 100 3.160 9.523 1.132 1.00 24.34 H new ATOM 1543 N LYS A 101 0.964 9.189 3.837 1.00 62.15 N ATOM 1544 CA LYS A 101 -0.198 8.491 4.397 1.00 1.04 C ATOM 1545 C LYS A 101 -0.980 7.690 3.344 1.00 61.33 C ATOM 1546 O LYS A 101 -1.467 8.237 2.358 1.00 30.42 O ATOM 1547 CB LYS A 101 -1.114 9.520 5.076 1.00 70.34 C ATOM 1548 CG LYS A 101 -2.251 8.911 5.888 1.00 1.01 C ATOM 1549 CD LYS A 101 -2.997 9.958 6.724 1.00 73.24 C ATOM 1550 CE LYS A 101 -2.133 10.551 7.845 1.00 34.31 C ATOM 1551 NZ LYS A 101 -1.082 11.481 7.341 1.00 54.21 N ATOM 0 H LYS A 101 0.739 9.874 3.116 1.00 62.15 H new ATOM 0 HA LYS A 101 0.166 7.765 5.124 1.00 1.04 H new ATOM 0 HB2 LYS A 101 -0.511 10.148 5.732 1.00 70.34 H new ATOM 0 HB3 LYS A 101 -1.538 10.171 4.312 1.00 70.34 H new ATOM 0 HG2 LYS A 101 -2.953 8.420 5.214 1.00 1.01 H new ATOM 0 HG3 LYS A 101 -1.851 8.141 6.548 1.00 1.01 H new ATOM 0 HD2 LYS A 101 -3.338 10.761 6.071 1.00 73.24 H new ATOM 0 HD3 LYS A 101 -3.886 9.502 7.160 1.00 73.24 H new ATOM 0 HE2 LYS A 101 -2.774 11.083 8.548 1.00 34.31 H new ATOM 0 HE3 LYS A 101 -1.658 9.740 8.398 1.00 34.31 H new ATOM 0 HZ1 LYS A 101 -0.909 12.224 8.047 1.00 54.21 H new ATOM 0 HZ2 LYS A 101 -0.203 10.952 7.172 1.00 54.21 H new ATOM 0 HZ3 LYS A 101 -1.401 11.916 6.452 1.00 54.21 H new ATOM 1565 N VAL A 102 -1.094 6.388 3.578 1.00 30.51 N ATOM 1566 CA VAL A 102 -1.861 5.486 2.716 1.00 50.23 C ATOM 1567 C VAL A 102 -3.348 5.442 3.122 1.00 24.24 C ATOM 1568 O VAL A 102 -3.687 5.024 4.233 1.00 4.53 O ATOM 1569 CB VAL A 102 -1.277 4.052 2.778 1.00 75.00 C ATOM 1570 CG1 VAL A 102 -2.116 3.072 1.957 1.00 14.10 C ATOM 1571 CG2 VAL A 102 0.181 4.044 2.319 1.00 1.33 C ATOM 0 H VAL A 102 -0.657 5.923 4.373 1.00 30.51 H new ATOM 0 HA VAL A 102 -1.788 5.871 1.699 1.00 50.23 H new ATOM 0 HB VAL A 102 -1.310 3.721 3.816 1.00 75.00 H new ATOM 0 HG11 VAL A 102 -1.679 2.076 2.022 1.00 14.10 H new ATOM 0 HG12 VAL A 102 -3.133 3.048 2.348 1.00 14.10 H new ATOM 0 HG13 VAL A 102 -2.135 3.393 0.915 1.00 14.10 H new ATOM 0 HG21 VAL A 102 0.573 3.028 2.370 1.00 1.33 H new ATOM 0 HG22 VAL A 102 0.241 4.405 1.292 1.00 1.33 H new ATOM 0 HG23 VAL A 102 0.770 4.693 2.967 1.00 1.33 H new ATOM 1581 N ILE A 103 -4.226 5.887 2.223 1.00 51.10 N ATOM 1582 CA ILE A 103 -5.678 5.827 2.449 1.00 15.24 C ATOM 1583 C ILE A 103 -6.316 4.704 1.608 1.00 52.51 C ATOM 1584 O ILE A 103 -6.317 4.765 0.376 1.00 42.42 O ATOM 1585 CB ILE A 103 -6.358 7.174 2.092 1.00 42.33 C ATOM 1586 CG1 ILE A 103 -5.714 8.338 2.869 1.00 70.43 C ATOM 1587 CG2 ILE A 103 -7.858 7.108 2.372 1.00 12.32 C ATOM 1588 CD1 ILE A 103 -5.858 8.238 4.376 1.00 13.54 C ATOM 0 H ILE A 103 -3.960 6.295 1.327 1.00 51.10 H new ATOM 0 HA ILE A 103 -5.832 5.621 3.508 1.00 15.24 H new ATOM 0 HB ILE A 103 -6.212 7.355 1.027 1.00 42.33 H new ATOM 0 HG12 ILE A 103 -4.654 8.384 2.619 1.00 70.43 H new ATOM 0 HG13 ILE A 103 -6.161 9.274 2.534 1.00 70.43 H new ATOM 0 HG21 ILE A 103 -8.318 8.062 2.115 1.00 12.32 H new ATOM 0 HG22 ILE A 103 -8.306 6.316 1.772 1.00 12.32 H new ATOM 0 HG23 ILE A 103 -8.022 6.899 3.429 1.00 12.32 H new ATOM 0 HD11 ILE A 103 -5.377 9.096 4.845 1.00 13.54 H new ATOM 0 HD12 ILE A 103 -6.915 8.225 4.640 1.00 13.54 H new ATOM 0 HD13 ILE A 103 -5.385 7.321 4.727 1.00 13.54 H new ATOM 1600 N LEU A 104 -6.863 3.686 2.278 1.00 65.41 N ATOM 1601 CA LEU A 104 -7.433 2.520 1.586 1.00 11.24 C ATOM 1602 C LEU A 104 -8.945 2.656 1.335 1.00 33.52 C ATOM 1603 O LEU A 104 -9.760 2.474 2.244 1.00 4.22 O ATOM 1604 CB LEU A 104 -7.165 1.239 2.392 1.00 41.22 C ATOM 1605 CG LEU A 104 -5.685 0.850 2.550 1.00 53.12 C ATOM 1606 CD1 LEU A 104 -5.553 -0.425 3.377 1.00 54.35 C ATOM 1607 CD2 LEU A 104 -5.020 0.678 1.182 1.00 32.40 C ATOM 0 H LEU A 104 -6.925 3.643 3.295 1.00 65.41 H new ATOM 0 HA LEU A 104 -6.942 2.464 0.615 1.00 11.24 H new ATOM 0 HB2 LEU A 104 -7.599 1.359 3.385 1.00 41.22 H new ATOM 0 HB3 LEU A 104 -7.690 0.413 1.912 1.00 41.22 H new ATOM 0 HG LEU A 104 -5.174 1.656 3.076 1.00 53.12 H new ATOM 0 HD11 LEU A 104 -4.499 -0.685 3.479 1.00 54.35 H new ATOM 0 HD12 LEU A 104 -5.984 -0.264 4.365 1.00 54.35 H new ATOM 0 HD13 LEU A 104 -6.081 -1.238 2.879 1.00 54.35 H new ATOM 0 HD21 LEU A 104 -3.974 0.403 1.318 1.00 32.40 H new ATOM 0 HD22 LEU A 104 -5.532 -0.106 0.625 1.00 32.40 H new ATOM 0 HD23 LEU A 104 -5.080 1.615 0.628 1.00 32.40 H new ATOM 1619 N LYS A 105 -9.313 2.974 0.094 1.00 42.41 N ATOM 1620 CA LYS A 105 -10.720 2.973 -0.329 1.00 14.20 C ATOM 1621 C LYS A 105 -10.972 1.860 -1.358 1.00 64.35 C ATOM 1622 O LYS A 105 -10.054 1.420 -2.050 1.00 50.10 O ATOM 1623 CB LYS A 105 -11.114 4.348 -0.893 1.00 4.25 C ATOM 1624 CG LYS A 105 -11.206 5.439 0.175 1.00 4.35 C ATOM 1625 CD LYS A 105 -11.628 6.786 -0.413 1.00 11.20 C ATOM 1626 CE LYS A 105 -11.941 7.812 0.674 1.00 14.41 C ATOM 1627 NZ LYS A 105 -10.787 8.057 1.578 1.00 32.11 N ATOM 0 H LYS A 105 -8.656 3.237 -0.641 1.00 42.41 H new ATOM 0 HA LYS A 105 -11.345 2.775 0.542 1.00 14.20 H new ATOM 0 HB2 LYS A 105 -10.384 4.647 -1.645 1.00 4.25 H new ATOM 0 HB3 LYS A 105 -12.076 4.263 -1.399 1.00 4.25 H new ATOM 0 HG2 LYS A 105 -11.922 5.138 0.940 1.00 4.35 H new ATOM 0 HG3 LYS A 105 -10.240 5.546 0.668 1.00 4.35 H new ATOM 0 HD2 LYS A 105 -10.832 7.167 -1.053 1.00 11.20 H new ATOM 0 HD3 LYS A 105 -12.506 6.647 -1.044 1.00 11.20 H new ATOM 0 HE2 LYS A 105 -12.238 8.751 0.207 1.00 14.41 H new ATOM 0 HE3 LYS A 105 -12.791 7.465 1.262 1.00 14.41 H new ATOM 0 HZ1 LYS A 105 -10.844 9.022 1.960 1.00 32.11 H new ATOM 0 HZ2 LYS A 105 -10.808 7.373 2.361 1.00 32.11 H new ATOM 0 HZ3 LYS A 105 -9.900 7.947 1.046 1.00 32.11 H new ATOM 1641 N ASN A 106 -12.213 1.396 -1.449 1.00 15.15 N ATOM 1642 CA ASN A 106 -12.548 0.245 -2.300 1.00 32.41 C ATOM 1643 C ASN A 106 -13.143 0.660 -3.662 1.00 51.42 C ATOM 1644 O ASN A 106 -13.039 1.814 -4.078 1.00 32.42 O ATOM 1645 CB ASN A 106 -13.517 -0.682 -1.555 1.00 14.24 C ATOM 1646 CG ASN A 106 -12.933 -1.234 -0.266 1.00 42.54 C ATOM 1647 OD1 ASN A 106 -13.647 -1.472 0.699 1.00 3.41 O ATOM 1648 ND2 ASN A 106 -11.633 -1.455 -0.238 1.00 15.32 N ATOM 0 H ASN A 106 -13.007 1.794 -0.948 1.00 15.15 H new ATOM 0 HA ASN A 106 -11.618 -0.282 -2.514 1.00 32.41 H new ATOM 0 HB2 ASN A 106 -14.433 -0.136 -1.329 1.00 14.24 H new ATOM 0 HB3 ASN A 106 -13.793 -1.511 -2.207 1.00 14.24 H new ATOM 0 HD21 ASN A 106 -11.198 -1.834 0.603 1.00 15.32 H new ATOM 0 HD22 ASN A 106 -11.063 -1.247 -1.058 1.00 15.32 H new ATOM 1655 N SER A 107 -13.764 -0.311 -4.341 1.00 5.24 N ATOM 1656 CA SER A 107 -14.255 -0.157 -5.727 1.00 45.40 C ATOM 1657 C SER A 107 -15.168 1.065 -5.939 1.00 21.44 C ATOM 1658 O SER A 107 -14.945 1.859 -6.854 1.00 14.31 O ATOM 1659 CB SER A 107 -15.011 -1.426 -6.147 1.00 41.14 C ATOM 1660 OG SER A 107 -15.517 -1.326 -7.469 1.00 14.24 O ATOM 0 H SER A 107 -13.944 -1.234 -3.947 1.00 5.24 H new ATOM 0 HA SER A 107 -13.371 0.004 -6.345 1.00 45.40 H new ATOM 0 HB2 SER A 107 -14.345 -2.286 -6.077 1.00 41.14 H new ATOM 0 HB3 SER A 107 -15.834 -1.604 -5.455 1.00 41.14 H new ATOM 0 HG SER A 107 -15.990 -2.152 -7.701 1.00 14.24 H new ATOM 1666 N GLN A 108 -16.197 1.205 -5.106 1.00 63.24 N ATOM 1667 CA GLN A 108 -17.220 2.244 -5.308 1.00 73.20 C ATOM 1668 C GLN A 108 -16.830 3.566 -4.629 1.00 74.32 C ATOM 1669 O GLN A 108 -16.677 4.602 -5.283 1.00 72.25 O ATOM 1670 CB GLN A 108 -18.571 1.757 -4.763 1.00 71.23 C ATOM 1671 CG GLN A 108 -19.060 0.455 -5.390 1.00 12.45 C ATOM 1672 CD GLN A 108 -20.354 -0.049 -4.767 1.00 73.21 C ATOM 1673 OE1 GLN A 108 -21.178 0.728 -4.293 1.00 10.25 O ATOM 1674 NE2 GLN A 108 -20.542 -1.356 -4.760 1.00 14.33 N ATOM 0 H GLN A 108 -16.350 0.618 -4.286 1.00 63.24 H new ATOM 0 HA GLN A 108 -17.299 2.430 -6.379 1.00 73.20 H new ATOM 0 HB2 GLN A 108 -18.488 1.620 -3.685 1.00 71.23 H new ATOM 0 HB3 GLN A 108 -19.319 2.532 -4.930 1.00 71.23 H new ATOM 0 HG2 GLN A 108 -19.211 0.606 -6.459 1.00 12.45 H new ATOM 0 HG3 GLN A 108 -18.289 -0.307 -5.282 1.00 12.45 H new ATOM 0 HE21 GLN A 108 -19.838 -1.975 -5.162 1.00 14.33 H new ATOM 0 HE22 GLN A 108 -21.391 -1.747 -4.353 1.00 14.33 H new ATOM 1683 N GLY A 109 -16.676 3.515 -3.311 1.00 31.23 N ATOM 1684 CA GLY A 109 -16.337 4.703 -2.536 1.00 2.34 C ATOM 1685 C GLY A 109 -16.386 4.458 -1.032 1.00 74.44 C ATOM 1686 O GLY A 109 -16.632 5.378 -0.249 1.00 12.22 O ATOM 0 H GLY A 109 -16.780 2.665 -2.757 1.00 31.23 H new ATOM 0 HA2 GLY A 109 -15.338 5.039 -2.813 1.00 2.34 H new ATOM 0 HA3 GLY A 109 -17.027 5.508 -2.792 1.00 2.34 H new ATOM 1690 N GLU A 110 -16.151 3.213 -0.629 1.00 25.13 N ATOM 1691 CA GLU A 110 -16.159 2.836 0.786 1.00 14.31 C ATOM 1692 C GLU A 110 -14.725 2.684 1.315 1.00 25.42 C ATOM 1693 O GLU A 110 -13.864 2.104 0.655 1.00 53.35 O ATOM 1694 CB GLU A 110 -16.974 1.542 1.010 1.00 51.52 C ATOM 1695 CG GLU A 110 -16.586 0.359 0.114 1.00 32.21 C ATOM 1696 CD GLU A 110 -17.115 0.471 -1.315 1.00 55.00 C ATOM 1697 OE1 GLU A 110 -18.309 0.176 -1.541 1.00 4.41 O ATOM 1698 OE2 GLU A 110 -16.341 0.845 -2.221 1.00 25.44 O ATOM 0 H GLU A 110 -15.951 2.441 -1.265 1.00 25.13 H new ATOM 0 HA GLU A 110 -16.644 3.635 1.347 1.00 14.31 H new ATOM 0 HB2 GLU A 110 -16.864 1.239 2.051 1.00 51.52 H new ATOM 0 HB3 GLU A 110 -18.029 1.765 0.852 1.00 51.52 H new ATOM 0 HG2 GLU A 110 -15.499 0.278 0.084 1.00 32.21 H new ATOM 0 HG3 GLU A 110 -16.962 -0.562 0.560 1.00 32.21 H new ATOM 1705 N GLU A 111 -14.471 3.231 2.499 1.00 21.32 N ATOM 1706 CA GLU A 111 -13.119 3.262 3.070 1.00 55.45 C ATOM 1707 C GLU A 111 -12.918 2.174 4.137 1.00 62.30 C ATOM 1708 O GLU A 111 -13.749 2.007 5.037 1.00 24.34 O ATOM 1709 CB GLU A 111 -12.853 4.648 3.671 1.00 33.10 C ATOM 1710 CG GLU A 111 -11.453 4.823 4.248 1.00 70.40 C ATOM 1711 CD GLU A 111 -11.211 6.235 4.751 1.00 4.15 C ATOM 1712 OE1 GLU A 111 -11.583 6.534 5.903 1.00 12.25 O ATOM 1713 OE2 GLU A 111 -10.661 7.057 3.988 1.00 62.21 O ATOM 0 H GLU A 111 -15.184 3.662 3.088 1.00 21.32 H new ATOM 0 HA GLU A 111 -12.409 3.061 2.268 1.00 55.45 H new ATOM 0 HB2 GLU A 111 -13.013 5.402 2.900 1.00 33.10 H new ATOM 0 HB3 GLU A 111 -13.584 4.836 4.458 1.00 33.10 H new ATOM 0 HG2 GLU A 111 -11.309 4.118 5.067 1.00 70.40 H new ATOM 0 HG3 GLU A 111 -10.714 4.580 3.484 1.00 70.40 H new ATOM 1720 N VAL A 112 -11.805 1.447 4.036 1.00 23.01 N ATOM 1721 CA VAL A 112 -11.469 0.391 4.999 1.00 55.22 C ATOM 1722 C VAL A 112 -10.669 0.951 6.188 1.00 63.53 C ATOM 1723 O VAL A 112 -11.125 0.904 7.332 1.00 72.41 O ATOM 1724 CB VAL A 112 -10.663 -0.751 4.330 1.00 21.55 C ATOM 1725 CG1 VAL A 112 -10.310 -1.842 5.343 1.00 2.23 C ATOM 1726 CG2 VAL A 112 -11.443 -1.335 3.154 1.00 62.10 C ATOM 0 H VAL A 112 -11.116 1.569 3.294 1.00 23.01 H new ATOM 0 HA VAL A 112 -12.413 -0.012 5.365 1.00 55.22 H new ATOM 0 HB VAL A 112 -9.730 -0.333 3.952 1.00 21.55 H new ATOM 0 HG11 VAL A 112 -9.745 -2.631 4.846 1.00 2.23 H new ATOM 0 HG12 VAL A 112 -9.708 -1.413 6.144 1.00 2.23 H new ATOM 0 HG13 VAL A 112 -11.226 -2.260 5.761 1.00 2.23 H new ATOM 0 HG21 VAL A 112 -10.863 -2.136 2.695 1.00 62.10 H new ATOM 0 HG22 VAL A 112 -12.394 -1.733 3.509 1.00 62.10 H new ATOM 0 HG23 VAL A 112 -11.629 -0.554 2.417 1.00 62.10 H new ATOM 1736 N ALA A 113 -9.482 1.494 5.909 1.00 20.42 N ATOM 1737 CA ALA A 113 -8.613 2.042 6.959 1.00 40.35 C ATOM 1738 C ALA A 113 -7.548 2.993 6.383 1.00 24.21 C ATOM 1739 O ALA A 113 -7.472 3.207 5.171 1.00 10.04 O ATOM 1740 CB ALA A 113 -7.942 0.906 7.730 1.00 4.54 C ATOM 0 H ALA A 113 -9.099 1.567 4.967 1.00 20.42 H new ATOM 0 HA ALA A 113 -9.239 2.621 7.638 1.00 40.35 H new ATOM 0 HB1 ALA A 113 -7.300 1.323 8.506 1.00 4.54 H new ATOM 0 HB2 ALA A 113 -8.705 0.277 8.189 1.00 4.54 H new ATOM 0 HB3 ALA A 113 -7.342 0.307 7.046 1.00 4.54 H new ATOM 1746 N GLN A 114 -6.725 3.551 7.269 1.00 45.30 N ATOM 1747 CA GLN A 114 -5.639 4.455 6.872 1.00 74.33 C ATOM 1748 C GLN A 114 -4.356 4.147 7.664 1.00 63.51 C ATOM 1749 O GLN A 114 -4.417 3.635 8.782 1.00 75.52 O ATOM 1750 CB GLN A 114 -6.057 5.918 7.096 1.00 43.15 C ATOM 1751 CG GLN A 114 -6.327 6.268 8.560 1.00 22.42 C ATOM 1752 CD GLN A 114 -6.661 7.737 8.783 1.00 2.53 C ATOM 1753 OE1 GLN A 114 -7.394 8.085 9.703 1.00 0.25 O ATOM 1754 NE2 GLN A 114 -6.117 8.612 7.958 1.00 74.23 N ATOM 0 H GLN A 114 -6.788 3.393 8.275 1.00 45.30 H new ATOM 0 HA GLN A 114 -5.436 4.301 5.812 1.00 74.33 H new ATOM 0 HB2 GLN A 114 -5.273 6.572 6.715 1.00 43.15 H new ATOM 0 HB3 GLN A 114 -6.954 6.123 6.512 1.00 43.15 H new ATOM 0 HG2 GLN A 114 -7.152 5.657 8.925 1.00 22.42 H new ATOM 0 HG3 GLN A 114 -5.451 6.009 9.155 1.00 22.42 H new ATOM 0 HE21 GLN A 114 -5.511 8.292 7.202 1.00 74.23 H new ATOM 0 HE22 GLN A 114 -6.302 9.608 8.076 1.00 74.23 H new ATOM 1763 N ARG A 115 -3.199 4.452 7.081 1.00 14.01 N ATOM 1764 CA ARG A 115 -1.915 4.226 7.758 1.00 23.40 C ATOM 1765 C ARG A 115 -0.856 5.234 7.277 1.00 64.40 C ATOM 1766 O ARG A 115 -0.924 5.724 6.153 1.00 32.52 O ATOM 1767 CB ARG A 115 -1.426 2.787 7.508 1.00 62.52 C ATOM 1768 CG ARG A 115 -0.321 2.321 8.465 1.00 40.22 C ATOM 1769 CD ARG A 115 -0.881 1.685 9.743 1.00 52.32 C ATOM 1770 NE ARG A 115 -1.761 2.585 10.489 1.00 74.23 N ATOM 1771 CZ ARG A 115 -2.403 2.253 11.575 1.00 54.15 C ATOM 1772 NH1 ARG A 115 -2.290 1.066 12.082 1.00 4.12 N ATOM 1773 NH2 ARG A 115 -3.166 3.120 12.154 1.00 43.42 N ATOM 0 H ARG A 115 -3.119 4.854 6.147 1.00 14.01 H new ATOM 0 HA ARG A 115 -2.065 4.370 8.828 1.00 23.40 H new ATOM 0 HB2 ARG A 115 -2.274 2.108 7.593 1.00 62.52 H new ATOM 0 HB3 ARG A 115 -1.059 2.713 6.484 1.00 62.52 H new ATOM 0 HG2 ARG A 115 0.318 1.600 7.954 1.00 40.22 H new ATOM 0 HG3 ARG A 115 0.307 3.171 8.731 1.00 40.22 H new ATOM 0 HD2 ARG A 115 -1.431 0.781 9.482 1.00 52.32 H new ATOM 0 HD3 ARG A 115 -0.054 1.380 10.384 1.00 52.32 H new ATOM 0 HE ARG A 115 -1.880 3.535 10.137 1.00 74.23 H new ATOM 0 HH11 ARG A 115 -1.692 0.374 11.631 1.00 4.12 H new ATOM 0 HH12 ARG A 115 -2.799 0.824 12.932 1.00 4.12 H new ATOM 0 HH21 ARG A 115 -3.263 4.056 11.762 1.00 43.42 H new ATOM 0 HH22 ARG A 115 -3.671 2.868 13.003 1.00 43.42 H new ATOM 1787 N SER A 116 0.116 5.551 8.128 1.00 63.43 N ATOM 1788 CA SER A 116 1.197 6.484 7.759 1.00 52.54 C ATOM 1789 C SER A 116 2.532 6.093 8.405 1.00 44.54 C ATOM 1790 O SER A 116 2.585 5.209 9.264 1.00 12.53 O ATOM 1791 CB SER A 116 0.824 7.919 8.160 1.00 3.44 C ATOM 1792 OG SER A 116 0.566 8.017 9.551 1.00 13.10 O ATOM 0 H SER A 116 0.185 5.182 9.076 1.00 63.43 H new ATOM 0 HA SER A 116 1.319 6.430 6.677 1.00 52.54 H new ATOM 0 HB2 SER A 116 1.634 8.596 7.890 1.00 3.44 H new ATOM 0 HB3 SER A 116 -0.056 8.237 7.602 1.00 3.44 H new ATOM 0 HG SER A 116 0.333 8.942 9.776 1.00 13.10 H new ATOM 1798 N THR A 117 3.612 6.749 7.978 1.00 4.53 N ATOM 1799 CA THR A 117 4.956 6.477 8.517 1.00 75.15 C ATOM 1800 C THR A 117 5.101 6.910 9.983 1.00 5.21 C ATOM 1801 O THR A 117 5.049 8.100 10.305 1.00 23.24 O ATOM 1802 CB THR A 117 6.061 7.177 7.686 1.00 35.14 C ATOM 1803 OG1 THR A 117 5.722 8.554 7.463 1.00 5.42 O ATOM 1804 CG2 THR A 117 6.277 6.477 6.351 1.00 30.41 C ATOM 0 H THR A 117 3.588 7.474 7.261 1.00 4.53 H new ATOM 0 HA THR A 117 5.079 5.396 8.455 1.00 75.15 H new ATOM 0 HB THR A 117 6.989 7.122 8.256 1.00 35.14 H new ATOM 0 HG1 THR A 117 6.493 9.023 7.082 1.00 5.42 H new ATOM 0 HG21 THR A 117 7.058 6.992 5.792 1.00 30.41 H new ATOM 0 HG22 THR A 117 6.577 5.444 6.526 1.00 30.41 H new ATOM 0 HG23 THR A 117 5.350 6.493 5.778 1.00 30.41 H new ATOM 1812 N VAL A 118 5.286 5.934 10.866 1.00 41.34 N ATOM 1813 CA VAL A 118 5.532 6.205 12.285 1.00 31.40 C ATOM 1814 C VAL A 118 6.935 6.808 12.500 1.00 11.12 C ATOM 1815 O VAL A 118 7.929 6.308 11.966 1.00 53.53 O ATOM 1816 CB VAL A 118 5.373 4.915 13.136 1.00 2.34 C ATOM 1817 CG1 VAL A 118 6.292 3.804 12.627 1.00 42.22 C ATOM 1818 CG2 VAL A 118 5.625 5.198 14.615 1.00 33.25 C ATOM 0 H VAL A 118 5.271 4.943 10.626 1.00 41.34 H new ATOM 0 HA VAL A 118 4.788 6.931 12.612 1.00 31.40 H new ATOM 0 HB VAL A 118 4.344 4.572 13.032 1.00 2.34 H new ATOM 0 HG11 VAL A 118 6.160 2.913 13.241 1.00 42.22 H new ATOM 0 HG12 VAL A 118 6.043 3.572 11.592 1.00 42.22 H new ATOM 0 HG13 VAL A 118 7.329 4.134 12.685 1.00 42.22 H new ATOM 0 HG21 VAL A 118 5.507 4.278 15.187 1.00 33.25 H new ATOM 0 HG22 VAL A 118 6.638 5.579 14.745 1.00 33.25 H new ATOM 0 HG23 VAL A 118 4.910 5.940 14.970 1.00 33.25 H new