USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=27 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= 0.432 K(o=1.3,f=-3.4!) USER MOD Set 1.2: A 92 ASN : amide:sc= 0.868 K(o=1.3,f=-0.33) USER MOD Set 2.1: A 44 MET CE :methyl 148:sc= -0.29 (180deg=-2.31!) USER MOD Set 2.2: A 57 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 35 GLN : amide:sc= 0.768 K(o=1.4,f=0.69) USER MOD Set 3.2: A 37 GLN : amide:sc= 0.68 K(o=1.4,f=0.69) USER MOD Set 4.1: A 31 ASN : amide:sc= 1.81 K(o=3.6,f=-3.3!) USER MOD Set 4.2: A 33 SER OG : rot 102:sc= 1.75 USER MOD Set 5.1: A 14 ASN : amide:sc= 0.212 K(o=0.39,f=-0.31) USER MOD Set 5.2: A 32 THR OG1 : rot 150:sc= 0.178 USER MOD Single : A 16 CYS SG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 177:sc= 0.196 (180deg=0.178) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl -143:sc= -1.71 (180deg=-3.49!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 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 63:sc= 0.49 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0.554 USER MOD Single : A 61 TYR OH : rot 130:sc= -0.183 USER MOD Single : A 64 LYS NZ :NH3+ -168:sc= -0.0375 (180deg=-0.222) USER MOD Single : A 67 GLN : amide:sc= -2.29! K(o=-2.3!,f=0) 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= -0.0146 USER MOD Single : A 81 SER OG : rot 110:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -0.57 K(o=-0.57,f=-6.8!) USER MOD Single : A 91 GLN : amide:sc= -3.64! C(o=-3.6!,f=-5.4!) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 134:sc= -0.0281 (180deg=-0.409) USER MOD Single : A 105 LYS NZ :NH3+ 169:sc= 0.61 (180deg=0.431) USER MOD Single : A 106 ASN : amide:sc= -1.85! C(o=-1.8!,f=-6.3!) USER MOD Single : A 107 SER OG : rot 180:sc= -0.0035 USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 THR OG1 : rot 69:sc= -2.1! USER MOD ----------------------------------------------------------------- ATOM 202 N ASN A 14 -9.319 -8.188 2.697 1.00 64.15 N ATOM 203 CA ASN A 14 -9.024 -7.118 3.665 1.00 11.45 C ATOM 204 C ASN A 14 -7.506 -6.911 3.803 1.00 5.12 C ATOM 205 O ASN A 14 -6.806 -7.749 4.371 1.00 23.54 O ATOM 206 CB ASN A 14 -9.627 -7.457 5.036 1.00 15.22 C ATOM 207 CG ASN A 14 -9.441 -6.339 6.051 1.00 60.24 C ATOM 208 OD1 ASN A 14 -9.481 -5.160 5.712 1.00 44.21 O ATOM 209 ND2 ASN A 14 -9.217 -6.697 7.297 1.00 54.14 N ATOM 0 HA ASN A 14 -9.471 -6.195 3.296 1.00 11.45 H new ATOM 0 HB2 ASN A 14 -10.691 -7.663 4.920 1.00 15.22 H new ATOM 0 HB3 ASN A 14 -9.165 -8.368 5.416 1.00 15.22 H new ATOM 0 HD21 ASN A 14 -9.070 -5.986 8.013 1.00 54.14 H new ATOM 0 HD22 ASN A 14 -9.190 -7.686 7.547 1.00 54.14 H new ATOM 216 N VAL A 15 -7.002 -5.793 3.281 1.00 5.51 N ATOM 217 CA VAL A 15 -5.564 -5.496 3.315 1.00 44.42 C ATOM 218 C VAL A 15 -5.298 -4.097 3.901 1.00 21.24 C ATOM 219 O VAL A 15 -5.940 -3.122 3.516 1.00 60.54 O ATOM 220 CB VAL A 15 -4.939 -5.596 1.896 1.00 12.23 C ATOM 221 CG1 VAL A 15 -3.441 -5.301 1.927 1.00 54.34 C ATOM 222 CG2 VAL A 15 -5.203 -6.972 1.284 1.00 73.23 C ATOM 0 H VAL A 15 -7.567 -5.075 2.828 1.00 5.51 H new ATOM 0 HA VAL A 15 -5.096 -6.240 3.959 1.00 44.42 H new ATOM 0 HB VAL A 15 -5.416 -4.842 1.270 1.00 12.23 H new ATOM 0 HG11 VAL A 15 -3.034 -5.379 0.919 1.00 54.34 H new ATOM 0 HG12 VAL A 15 -3.276 -4.293 2.308 1.00 54.34 H new ATOM 0 HG13 VAL A 15 -2.942 -6.020 2.577 1.00 54.34 H new ATOM 0 HG21 VAL A 15 -4.757 -7.020 0.291 1.00 73.23 H new ATOM 0 HG22 VAL A 15 -4.763 -7.742 1.917 1.00 73.23 H new ATOM 0 HG23 VAL A 15 -6.278 -7.136 1.207 1.00 73.23 H new ATOM 232 N CYS A 16 -4.342 -4.005 4.829 1.00 24.42 N ATOM 233 CA CYS A 16 -4.022 -2.734 5.501 1.00 12.14 C ATOM 234 C CYS A 16 -2.506 -2.479 5.537 1.00 0.14 C ATOM 235 O CYS A 16 -1.709 -3.406 5.414 1.00 13.11 O ATOM 236 CB CYS A 16 -4.575 -2.739 6.932 1.00 5.52 C ATOM 237 SG CYS A 16 -3.876 -4.029 7.989 1.00 51.13 S ATOM 0 H CYS A 16 -3.773 -4.794 5.135 1.00 24.42 H new ATOM 0 HA CYS A 16 -4.489 -1.932 4.929 1.00 12.14 H new ATOM 0 HB2 CYS A 16 -4.383 -1.768 7.388 1.00 5.52 H new ATOM 0 HB3 CYS A 16 -5.657 -2.864 6.892 1.00 5.52 H new ATOM 0 HG CYS A 16 -4.402 -3.951 9.175 1.00 51.13 H new ATOM 243 N ILE A 17 -2.113 -1.217 5.715 1.00 33.24 N ATOM 244 CA ILE A 17 -0.689 -0.844 5.754 1.00 11.25 C ATOM 245 C ILE A 17 -0.075 -1.085 7.142 1.00 54.31 C ATOM 246 O ILE A 17 -0.475 -0.460 8.131 1.00 34.14 O ATOM 247 CB ILE A 17 -0.478 0.643 5.365 1.00 13.23 C ATOM 248 CG1 ILE A 17 -0.998 0.905 3.944 1.00 51.40 C ATOM 249 CG2 ILE A 17 1.000 1.030 5.480 1.00 62.32 C ATOM 250 CD1 ILE A 17 -0.885 2.350 3.504 1.00 32.45 C ATOM 0 H ILE A 17 -2.755 -0.434 5.835 1.00 33.24 H new ATOM 0 HA ILE A 17 -0.187 -1.482 5.026 1.00 11.25 H new ATOM 0 HB ILE A 17 -1.045 1.263 6.059 1.00 13.23 H new ATOM 0 HG12 ILE A 17 -0.445 0.278 3.244 1.00 51.40 H new ATOM 0 HG13 ILE A 17 -2.043 0.599 3.888 1.00 51.40 H new ATOM 0 HG21 ILE A 17 1.125 2.077 5.203 1.00 62.32 H new ATOM 0 HG22 ILE A 17 1.335 0.884 6.507 1.00 62.32 H new ATOM 0 HG23 ILE A 17 1.593 0.405 4.813 1.00 62.32 H new ATOM 0 HD11 ILE A 17 -1.273 2.453 2.491 1.00 32.45 H new ATOM 0 HD12 ILE A 17 -1.462 2.982 4.179 1.00 32.45 H new ATOM 0 HD13 ILE A 17 0.161 2.656 3.525 1.00 32.45 H new ATOM 262 N GLU A 18 0.903 -1.982 7.206 1.00 22.14 N ATOM 263 CA GLU A 18 1.606 -2.279 8.458 1.00 71.31 C ATOM 264 C GLU A 18 2.684 -1.228 8.755 1.00 73.54 C ATOM 265 O GLU A 18 2.752 -0.682 9.858 1.00 32.23 O ATOM 266 CB GLU A 18 2.250 -3.671 8.394 1.00 20.24 C ATOM 267 CG GLU A 18 3.095 -4.002 9.622 1.00 72.45 C ATOM 268 CD GLU A 18 3.739 -5.374 9.551 1.00 41.31 C ATOM 269 OE1 GLU A 18 4.849 -5.490 8.990 1.00 40.33 O ATOM 270 OE2 GLU A 18 3.146 -6.341 10.074 1.00 24.05 O ATOM 0 H GLU A 18 1.231 -2.520 6.404 1.00 22.14 H new ATOM 0 HA GLU A 18 0.870 -2.257 9.262 1.00 71.31 H new ATOM 0 HB2 GLU A 18 1.467 -4.422 8.287 1.00 20.24 H new ATOM 0 HB3 GLU A 18 2.875 -3.734 7.503 1.00 20.24 H new ATOM 0 HG2 GLU A 18 3.874 -3.247 9.734 1.00 72.45 H new ATOM 0 HG3 GLU A 18 2.468 -3.947 10.512 1.00 72.45 H new ATOM 277 N GLU A 19 3.530 -0.952 7.765 1.00 25.33 N ATOM 278 CA GLU A 19 4.647 -0.017 7.943 1.00 11.25 C ATOM 279 C GLU A 19 5.191 0.473 6.591 1.00 2.33 C ATOM 280 O GLU A 19 5.095 -0.217 5.578 1.00 50.55 O ATOM 281 CB GLU A 19 5.767 -0.688 8.756 1.00 23.23 C ATOM 282 CG GLU A 19 6.929 0.236 9.116 1.00 22.04 C ATOM 283 CD GLU A 19 7.969 -0.453 9.983 1.00 4.23 C ATOM 284 OE1 GLU A 19 7.798 -0.480 11.220 1.00 52.52 O ATOM 285 OE2 GLU A 19 8.955 -0.988 9.437 1.00 41.12 O ATOM 0 H GLU A 19 3.467 -1.360 6.832 1.00 25.33 H new ATOM 0 HA GLU A 19 4.277 0.852 8.487 1.00 11.25 H new ATOM 0 HB2 GLU A 19 5.341 -1.090 9.675 1.00 23.23 H new ATOM 0 HB3 GLU A 19 6.154 -1.534 8.188 1.00 23.23 H new ATOM 0 HG2 GLU A 19 7.402 0.594 8.201 1.00 22.04 H new ATOM 0 HG3 GLU A 19 6.545 1.111 9.640 1.00 22.04 H new ATOM 292 N ILE A 20 5.752 1.680 6.587 1.00 62.34 N ATOM 293 CA ILE A 20 6.342 2.269 5.379 1.00 12.43 C ATOM 294 C ILE A 20 7.857 2.461 5.556 1.00 70.11 C ATOM 295 O ILE A 20 8.336 2.685 6.668 1.00 4.03 O ATOM 296 CB ILE A 20 5.678 3.632 5.045 1.00 11.10 C ATOM 297 CG1 ILE A 20 4.153 3.464 4.907 1.00 74.15 C ATOM 298 CG2 ILE A 20 6.270 4.236 3.769 1.00 51.13 C ATOM 299 CD1 ILE A 20 3.407 4.755 4.627 1.00 74.52 C ATOM 0 H ILE A 20 5.812 2.276 7.412 1.00 62.34 H new ATOM 0 HA ILE A 20 6.164 1.581 4.552 1.00 12.43 H new ATOM 0 HB ILE A 20 5.882 4.319 5.866 1.00 11.10 H new ATOM 0 HG12 ILE A 20 3.948 2.758 4.103 1.00 74.15 H new ATOM 0 HG13 ILE A 20 3.763 3.024 5.825 1.00 74.15 H new ATOM 0 HG21 ILE A 20 5.786 5.190 3.560 1.00 51.13 H new ATOM 0 HG22 ILE A 20 7.340 4.394 3.904 1.00 51.13 H new ATOM 0 HG23 ILE A 20 6.106 3.555 2.934 1.00 51.13 H new ATOM 0 HD11 ILE A 20 2.340 4.548 4.544 1.00 74.52 H new ATOM 0 HD12 ILE A 20 3.578 5.458 5.442 1.00 74.52 H new ATOM 0 HD13 ILE A 20 3.766 5.188 3.693 1.00 74.52 H new ATOM 311 N ASP A 21 8.603 2.368 4.456 1.00 12.11 N ATOM 312 CA ASP A 21 10.063 2.490 4.491 1.00 70.03 C ATOM 313 C ASP A 21 10.519 3.846 5.069 1.00 11.32 C ATOM 314 O ASP A 21 9.890 4.879 4.838 1.00 62.31 O ATOM 315 CB ASP A 21 10.629 2.297 3.082 1.00 13.44 C ATOM 316 CG ASP A 21 12.141 2.409 3.038 1.00 24.33 C ATOM 317 OD1 ASP A 21 12.816 1.758 3.860 1.00 65.45 O ATOM 318 OD2 ASP A 21 12.660 3.143 2.178 1.00 15.24 O ATOM 0 H ASP A 21 8.220 2.208 3.524 1.00 12.11 H new ATOM 0 HA ASP A 21 10.447 1.713 5.152 1.00 70.03 H new ATOM 0 HB2 ASP A 21 10.330 1.319 2.706 1.00 13.44 H new ATOM 0 HB3 ASP A 21 10.194 3.041 2.415 1.00 13.44 H new ATOM 323 N VAL A 22 11.631 3.828 5.804 1.00 10.51 N ATOM 324 CA VAL A 22 12.171 5.037 6.443 1.00 11.51 C ATOM 325 C VAL A 22 12.763 6.018 5.415 1.00 15.21 C ATOM 326 O VAL A 22 12.718 7.237 5.600 1.00 42.11 O ATOM 327 CB VAL A 22 13.251 4.667 7.496 1.00 44.35 C ATOM 328 CG1 VAL A 22 14.408 3.902 6.853 1.00 33.23 C ATOM 329 CG2 VAL A 22 13.757 5.912 8.227 1.00 44.34 C ATOM 0 H VAL A 22 12.181 2.986 5.975 1.00 10.51 H new ATOM 0 HA VAL A 22 11.337 5.532 6.940 1.00 11.51 H new ATOM 0 HB VAL A 22 12.786 4.012 8.233 1.00 44.35 H new ATOM 0 HG11 VAL A 22 15.149 3.656 7.614 1.00 33.23 H new ATOM 0 HG12 VAL A 22 14.031 2.983 6.403 1.00 33.23 H new ATOM 0 HG13 VAL A 22 14.870 4.520 6.083 1.00 33.23 H new ATOM 0 HG21 VAL A 22 14.512 5.623 8.958 1.00 44.34 H new ATOM 0 HG22 VAL A 22 14.195 6.604 7.507 1.00 44.34 H new ATOM 0 HG23 VAL A 22 12.925 6.398 8.737 1.00 44.34 H new ATOM 339 N ASP A 23 13.313 5.477 4.332 1.00 73.14 N ATOM 340 CA ASP A 23 13.910 6.292 3.275 1.00 62.44 C ATOM 341 C ASP A 23 12.820 6.821 2.319 1.00 72.44 C ATOM 342 O ASP A 23 12.785 8.012 1.991 1.00 55.24 O ATOM 343 CB ASP A 23 14.952 5.454 2.516 1.00 24.42 C ATOM 344 CG ASP A 23 15.818 6.283 1.587 1.00 23.43 C ATOM 345 OD1 ASP A 23 15.432 6.480 0.420 1.00 42.52 O ATOM 346 OD2 ASP A 23 16.903 6.733 2.016 1.00 42.45 O ATOM 0 H ASP A 23 13.358 4.472 4.162 1.00 73.14 H new ATOM 0 HA ASP A 23 14.406 7.155 3.718 1.00 62.44 H new ATOM 0 HB2 ASP A 23 15.590 4.939 3.235 1.00 24.42 H new ATOM 0 HB3 ASP A 23 14.440 4.686 1.937 1.00 24.42 H new ATOM 351 N GLY A 24 11.928 5.923 1.893 1.00 43.41 N ATOM 352 CA GLY A 24 10.813 6.297 1.022 1.00 11.25 C ATOM 353 C GLY A 24 10.713 5.441 -0.242 1.00 55.23 C ATOM 354 O GLY A 24 10.125 5.857 -1.238 1.00 14.23 O ATOM 0 H GLY A 24 11.957 4.933 2.137 1.00 43.41 H new ATOM 0 HA2 GLY A 24 9.881 6.215 1.582 1.00 11.25 H new ATOM 0 HA3 GLY A 24 10.921 7.343 0.735 1.00 11.25 H new ATOM 358 N LYS A 25 11.271 4.232 -0.198 1.00 34.31 N ATOM 359 CA LYS A 25 11.318 3.364 -1.382 1.00 74.44 C ATOM 360 C LYS A 25 10.095 2.434 -1.510 1.00 64.34 C ATOM 361 O LYS A 25 9.727 2.051 -2.625 1.00 3.01 O ATOM 362 CB LYS A 25 12.610 2.534 -1.370 1.00 61.12 C ATOM 363 CG LYS A 25 13.871 3.372 -1.554 1.00 3.34 C ATOM 364 CD LYS A 25 15.136 2.519 -1.538 1.00 52.11 C ATOM 365 CE LYS A 25 16.375 3.342 -1.879 1.00 14.34 C ATOM 366 NZ LYS A 25 16.593 4.462 -0.925 1.00 12.51 N ATOM 0 H LYS A 25 11.696 3.830 0.638 1.00 34.31 H new ATOM 0 HA LYS A 25 11.299 4.021 -2.251 1.00 74.44 H new ATOM 0 HB2 LYS A 25 12.677 1.993 -0.426 1.00 61.12 H new ATOM 0 HB3 LYS A 25 12.560 1.787 -2.162 1.00 61.12 H new ATOM 0 HG2 LYS A 25 13.811 3.913 -2.498 1.00 3.34 H new ATOM 0 HG3 LYS A 25 13.928 4.119 -0.762 1.00 3.34 H new ATOM 0 HD2 LYS A 25 15.258 2.068 -0.553 1.00 52.11 H new ATOM 0 HD3 LYS A 25 15.033 1.702 -2.252 1.00 52.11 H new ATOM 0 HE2 LYS A 25 17.250 2.693 -1.879 1.00 14.34 H new ATOM 0 HE3 LYS A 25 16.275 3.742 -2.888 1.00 14.34 H new ATOM 0 HZ1 LYS A 25 17.473 4.959 -1.169 1.00 12.51 H new ATOM 0 HZ2 LYS A 25 15.794 5.125 -0.980 1.00 12.51 H new ATOM 0 HZ3 LYS A 25 16.665 4.086 0.042 1.00 12.51 H new ATOM 380 N PHE A 26 9.461 2.065 -0.391 1.00 73.33 N ATOM 381 CA PHE A 26 8.343 1.103 -0.444 1.00 51.12 C ATOM 382 C PHE A 26 7.315 1.284 0.692 1.00 33.13 C ATOM 383 O PHE A 26 7.600 1.881 1.732 1.00 23.32 O ATOM 384 CB PHE A 26 8.880 -0.338 -0.432 1.00 62.32 C ATOM 385 CG PHE A 26 9.612 -0.733 0.832 1.00 20.05 C ATOM 386 CD1 PHE A 26 8.914 -1.178 1.951 1.00 32.52 C ATOM 387 CD2 PHE A 26 10.997 -0.669 0.899 1.00 74.45 C ATOM 388 CE1 PHE A 26 9.579 -1.545 3.103 1.00 13.22 C ATOM 389 CE2 PHE A 26 11.667 -1.038 2.049 1.00 42.30 C ATOM 390 CZ PHE A 26 10.959 -1.476 3.152 1.00 0.25 C ATOM 0 H PHE A 26 9.691 2.405 0.543 1.00 73.33 H new ATOM 0 HA PHE A 26 7.816 1.304 -1.377 1.00 51.12 H new ATOM 0 HB2 PHE A 26 8.045 -1.023 -0.580 1.00 62.32 H new ATOM 0 HB3 PHE A 26 9.553 -0.467 -1.280 1.00 62.32 H new ATOM 0 HD1 PHE A 26 7.836 -1.237 1.917 1.00 32.52 H new ATOM 0 HD2 PHE A 26 11.557 -0.327 0.042 1.00 74.45 H new ATOM 0 HE1 PHE A 26 9.023 -1.885 3.964 1.00 13.22 H new ATOM 0 HE2 PHE A 26 12.745 -0.984 2.086 1.00 42.30 H new ATOM 0 HZ PHE A 26 11.483 -1.764 4.051 1.00 0.25 H new ATOM 400 N ILE A 27 6.112 0.742 0.471 1.00 62.13 N ATOM 401 CA ILE A 27 5.028 0.749 1.469 1.00 15.22 C ATOM 402 C ILE A 27 4.512 -0.684 1.711 1.00 70.11 C ATOM 403 O ILE A 27 4.050 -1.339 0.782 1.00 50.43 O ATOM 404 CB ILE A 27 3.847 1.638 0.990 1.00 72.01 C ATOM 405 CG1 ILE A 27 4.327 3.077 0.727 1.00 1.34 C ATOM 406 CG2 ILE A 27 2.705 1.623 2.010 1.00 23.30 C ATOM 407 CD1 ILE A 27 3.256 3.995 0.173 1.00 52.40 C ATOM 0 H ILE A 27 5.859 0.285 -0.405 1.00 62.13 H new ATOM 0 HA ILE A 27 5.430 1.154 2.397 1.00 15.22 H new ATOM 0 HB ILE A 27 3.467 1.227 0.054 1.00 72.01 H new ATOM 0 HG12 ILE A 27 4.705 3.498 1.658 1.00 1.34 H new ATOM 0 HG13 ILE A 27 5.163 3.048 0.028 1.00 1.34 H new ATOM 0 HG21 ILE A 27 1.890 2.252 1.653 1.00 23.30 H new ATOM 0 HG22 ILE A 27 2.346 0.602 2.139 1.00 23.30 H new ATOM 0 HG23 ILE A 27 3.066 2.004 2.965 1.00 23.30 H new ATOM 0 HD11 ILE A 27 3.675 4.989 0.016 1.00 52.40 H new ATOM 0 HD12 ILE A 27 2.893 3.600 -0.776 1.00 52.40 H new ATOM 0 HD13 ILE A 27 2.429 4.057 0.880 1.00 52.40 H new ATOM 419 N ARG A 28 4.585 -1.175 2.950 1.00 4.14 N ATOM 420 CA ARG A 28 4.203 -2.569 3.240 1.00 43.22 C ATOM 421 C ARG A 28 2.733 -2.707 3.682 1.00 64.01 C ATOM 422 O ARG A 28 2.342 -2.230 4.752 1.00 23.41 O ATOM 423 CB ARG A 28 5.108 -3.166 4.327 1.00 25.34 C ATOM 424 CG ARG A 28 4.812 -4.639 4.625 1.00 13.53 C ATOM 425 CD ARG A 28 5.557 -5.135 5.860 1.00 1.11 C ATOM 426 NE ARG A 28 7.002 -4.941 5.746 1.00 1.21 N ATOM 427 CZ ARG A 28 7.790 -4.712 6.761 1.00 63.32 C ATOM 428 NH1 ARG A 28 7.322 -4.691 7.970 1.00 60.32 N ATOM 429 NH2 ARG A 28 9.053 -4.515 6.566 1.00 71.03 N ATOM 0 H ARG A 28 4.899 -0.642 3.761 1.00 4.14 H new ATOM 0 HA ARG A 28 4.326 -3.116 2.305 1.00 43.22 H new ATOM 0 HB2 ARG A 28 6.148 -3.068 4.017 1.00 25.34 H new ATOM 0 HB3 ARG A 28 4.992 -2.587 5.243 1.00 25.34 H new ATOM 0 HG2 ARG A 28 3.740 -4.770 4.772 1.00 13.53 H new ATOM 0 HG3 ARG A 28 5.093 -5.246 3.764 1.00 13.53 H new ATOM 0 HD2 ARG A 28 5.189 -4.608 6.740 1.00 1.11 H new ATOM 0 HD3 ARG A 28 5.345 -6.193 6.010 1.00 1.11 H new ATOM 0 HE ARG A 28 7.420 -4.987 4.817 1.00 1.21 H new ATOM 0 HH11 ARG A 28 6.329 -4.854 8.135 1.00 60.32 H new ATOM 0 HH12 ARG A 28 7.947 -4.511 8.756 1.00 60.32 H new ATOM 0 HH21 ARG A 28 9.433 -4.539 5.620 1.00 71.03 H new ATOM 0 HH22 ARG A 28 9.670 -4.336 7.359 1.00 71.03 H new ATOM 443 N LEU A 29 1.931 -3.381 2.859 1.00 3.34 N ATOM 444 CA LEU A 29 0.555 -3.736 3.222 1.00 51.31 C ATOM 445 C LEU A 29 0.483 -5.209 3.663 1.00 33.34 C ATOM 446 O LEU A 29 1.409 -5.984 3.416 1.00 51.04 O ATOM 447 CB LEU A 29 -0.406 -3.495 2.046 1.00 12.52 C ATOM 448 CG LEU A 29 -0.614 -2.024 1.630 1.00 73.20 C ATOM 449 CD1 LEU A 29 0.647 -1.433 1.001 1.00 74.31 C ATOM 450 CD2 LEU A 29 -1.801 -1.902 0.675 1.00 25.15 C ATOM 0 H LEU A 29 2.211 -3.695 1.930 1.00 3.34 H new ATOM 0 HA LEU A 29 0.250 -3.098 4.052 1.00 51.31 H new ATOM 0 HB2 LEU A 29 -0.036 -4.047 1.182 1.00 12.52 H new ATOM 0 HB3 LEU A 29 -1.376 -3.919 2.303 1.00 12.52 H new ATOM 0 HG LEU A 29 -0.830 -1.451 2.532 1.00 73.20 H new ATOM 0 HD11 LEU A 29 0.462 -0.396 0.721 1.00 74.31 H new ATOM 0 HD12 LEU A 29 1.466 -1.474 1.719 1.00 74.31 H new ATOM 0 HD13 LEU A 29 0.914 -2.007 0.113 1.00 74.31 H new ATOM 0 HD21 LEU A 29 -1.934 -0.858 0.391 1.00 25.15 H new ATOM 0 HD22 LEU A 29 -1.613 -2.499 -0.217 1.00 25.15 H new ATOM 0 HD23 LEU A 29 -2.704 -2.262 1.169 1.00 25.15 H new ATOM 462 N LYS A 30 -0.616 -5.601 4.304 1.00 3.10 N ATOM 463 CA LYS A 30 -0.765 -6.974 4.804 1.00 34.52 C ATOM 464 C LYS A 30 -2.237 -7.415 4.853 1.00 75.32 C ATOM 465 O LYS A 30 -3.121 -6.641 5.227 1.00 74.20 O ATOM 466 CB LYS A 30 -0.136 -7.096 6.200 1.00 12.43 C ATOM 467 CG LYS A 30 -0.138 -8.519 6.762 1.00 61.41 C ATOM 468 CD LYS A 30 0.566 -8.595 8.112 1.00 54.22 C ATOM 469 CE LYS A 30 0.638 -10.028 8.635 1.00 10.35 C ATOM 470 NZ LYS A 30 1.390 -10.116 9.914 1.00 12.41 N ATOM 0 H LYS A 30 -1.415 -4.994 4.491 1.00 3.10 H new ATOM 0 HA LYS A 30 -0.247 -7.633 4.108 1.00 34.52 H new ATOM 0 HB2 LYS A 30 0.892 -6.735 6.157 1.00 12.43 H new ATOM 0 HB3 LYS A 30 -0.674 -6.444 6.888 1.00 12.43 H new ATOM 0 HG2 LYS A 30 -1.166 -8.867 6.868 1.00 61.41 H new ATOM 0 HG3 LYS A 30 0.354 -9.189 6.057 1.00 61.41 H new ATOM 0 HD2 LYS A 30 1.574 -8.191 8.019 1.00 54.22 H new ATOM 0 HD3 LYS A 30 0.038 -7.971 8.833 1.00 54.22 H new ATOM 0 HE2 LYS A 30 -0.372 -10.412 8.781 1.00 10.35 H new ATOM 0 HE3 LYS A 30 1.116 -10.663 7.889 1.00 10.35 H new ATOM 0 HZ1 LYS A 30 1.415 -11.105 10.234 1.00 12.41 H new ATOM 0 HZ2 LYS A 30 2.361 -9.774 9.770 1.00 12.41 H new ATOM 0 HZ3 LYS A 30 0.920 -9.531 10.634 1.00 12.41 H new ATOM 484 N ASN A 31 -2.483 -8.667 4.469 1.00 0.14 N ATOM 485 CA ASN A 31 -3.823 -9.267 4.520 1.00 33.03 C ATOM 486 C ASN A 31 -4.084 -9.912 5.895 1.00 31.34 C ATOM 487 O ASN A 31 -3.169 -10.450 6.519 1.00 23.32 O ATOM 488 CB ASN A 31 -3.949 -10.315 3.403 1.00 21.22 C ATOM 489 CG ASN A 31 -5.261 -11.080 3.430 1.00 11.41 C ATOM 490 OD1 ASN A 31 -6.289 -10.573 3.867 1.00 5.25 O ATOM 491 ND2 ASN A 31 -5.238 -12.313 2.963 1.00 60.32 N ATOM 0 H ASN A 31 -1.763 -9.296 4.114 1.00 0.14 H new ATOM 0 HA ASN A 31 -4.569 -8.486 4.372 1.00 33.03 H new ATOM 0 HB2 ASN A 31 -3.848 -9.819 2.438 1.00 21.22 H new ATOM 0 HB3 ASN A 31 -3.124 -11.023 3.486 1.00 21.22 H new ATOM 0 HD21 ASN A 31 -6.091 -12.873 2.959 1.00 60.32 H new ATOM 0 HD22 ASN A 31 -4.367 -12.707 2.606 1.00 60.32 H new ATOM 498 N THR A 32 -5.332 -9.856 6.364 1.00 34.53 N ATOM 499 CA THR A 32 -5.694 -10.413 7.682 1.00 11.10 C ATOM 500 C THR A 32 -6.747 -11.530 7.579 1.00 33.20 C ATOM 501 O THR A 32 -7.263 -11.999 8.595 1.00 4.13 O ATOM 502 CB THR A 32 -6.239 -9.319 8.635 1.00 63.13 C ATOM 503 OG1 THR A 32 -7.467 -8.777 8.124 1.00 63.23 O ATOM 504 CG2 THR A 32 -5.223 -8.194 8.822 1.00 51.01 C ATOM 0 H THR A 32 -6.111 -9.434 5.858 1.00 34.53 H new ATOM 0 HA THR A 32 -4.771 -10.830 8.085 1.00 11.10 H new ATOM 0 HB THR A 32 -6.424 -9.785 9.603 1.00 63.13 H new ATOM 0 HG1 THR A 32 -8.031 -8.485 8.870 1.00 63.23 H new ATOM 0 HG21 THR A 32 -5.633 -7.441 9.495 1.00 51.01 H new ATOM 0 HG22 THR A 32 -4.305 -8.600 9.247 1.00 51.01 H new ATOM 0 HG23 THR A 32 -5.005 -7.737 7.857 1.00 51.01 H new ATOM 512 N SER A 33 -7.063 -11.963 6.360 1.00 63.34 N ATOM 513 CA SER A 33 -8.085 -13.002 6.150 1.00 3.31 C ATOM 514 C SER A 33 -7.524 -14.416 6.370 1.00 31.40 C ATOM 515 O SER A 33 -6.329 -14.661 6.216 1.00 55.54 O ATOM 516 CB SER A 33 -8.672 -12.913 4.735 1.00 22.33 C ATOM 517 OG SER A 33 -7.705 -13.259 3.758 1.00 32.30 O ATOM 0 H SER A 33 -6.632 -11.616 5.503 1.00 63.34 H new ATOM 0 HA SER A 33 -8.868 -12.821 6.886 1.00 3.31 H new ATOM 0 HB2 SER A 33 -9.531 -13.578 4.652 1.00 22.33 H new ATOM 0 HB3 SER A 33 -9.033 -11.901 4.551 1.00 22.33 H new ATOM 0 HG SER A 33 -7.868 -14.174 3.446 1.00 32.30 H new ATOM 523 N GLU A 34 -8.413 -15.352 6.703 1.00 40.01 N ATOM 524 CA GLU A 34 -8.034 -16.757 6.920 1.00 62.30 C ATOM 525 C GLU A 34 -7.968 -17.546 5.599 1.00 2.42 C ATOM 526 O GLU A 34 -7.799 -18.769 5.605 1.00 61.04 O ATOM 527 CB GLU A 34 -9.055 -17.431 7.846 1.00 71.40 C ATOM 528 CG GLU A 34 -9.151 -16.816 9.238 1.00 32.24 C ATOM 529 CD GLU A 34 -10.229 -17.478 10.087 1.00 14.22 C ATOM 530 OE1 GLU A 34 -10.045 -18.650 10.479 1.00 13.04 O ATOM 531 OE2 GLU A 34 -11.270 -16.838 10.354 1.00 42.42 O ATOM 0 H GLU A 34 -9.408 -15.165 6.830 1.00 40.01 H new ATOM 0 HA GLU A 34 -7.042 -16.761 7.373 1.00 62.30 H new ATOM 0 HB2 GLU A 34 -10.037 -17.388 7.375 1.00 71.40 H new ATOM 0 HB3 GLU A 34 -8.796 -18.485 7.946 1.00 71.40 H new ATOM 0 HG2 GLU A 34 -8.188 -16.907 9.741 1.00 32.24 H new ATOM 0 HG3 GLU A 34 -9.364 -15.751 9.149 1.00 32.24 H new ATOM 538 N GLN A 35 -8.096 -16.849 4.473 1.00 30.14 N ATOM 539 CA GLN A 35 -8.192 -17.506 3.161 1.00 14.44 C ATOM 540 C GLN A 35 -7.536 -16.659 2.057 1.00 44.41 C ATOM 541 O GLN A 35 -7.406 -15.441 2.193 1.00 2.25 O ATOM 542 CB GLN A 35 -9.671 -17.760 2.826 1.00 20.30 C ATOM 543 CG GLN A 35 -9.910 -18.484 1.502 1.00 72.21 C ATOM 544 CD GLN A 35 -11.389 -18.642 1.193 1.00 0.25 C ATOM 545 OE1 GLN A 35 -12.014 -19.632 1.558 1.00 42.32 O ATOM 546 NE2 GLN A 35 -11.961 -17.658 0.534 1.00 53.22 N ATOM 0 H GLN A 35 -8.136 -15.830 4.437 1.00 30.14 H new ATOM 0 HA GLN A 35 -7.656 -18.454 3.210 1.00 14.44 H new ATOM 0 HB2 GLN A 35 -10.116 -18.346 3.630 1.00 20.30 H new ATOM 0 HB3 GLN A 35 -10.193 -16.804 2.801 1.00 20.30 H new ATOM 0 HG2 GLN A 35 -9.429 -17.931 0.695 1.00 72.21 H new ATOM 0 HG3 GLN A 35 -9.441 -19.467 1.538 1.00 72.21 H new ATOM 0 HE21 GLN A 35 -11.410 -16.849 0.246 1.00 53.22 H new ATOM 0 HE22 GLN A 35 -12.955 -17.704 0.311 1.00 53.22 H new ATOM 555 N ASP A 36 -7.122 -17.316 0.970 1.00 22.20 N ATOM 556 CA ASP A 36 -6.527 -16.627 -0.183 1.00 25.54 C ATOM 557 C ASP A 36 -7.578 -15.769 -0.918 1.00 63.32 C ATOM 558 O ASP A 36 -8.446 -16.297 -1.618 1.00 1.50 O ATOM 559 CB ASP A 36 -5.919 -17.655 -1.149 1.00 41.44 C ATOM 560 CG ASP A 36 -5.052 -18.674 -0.429 1.00 53.24 C ATOM 561 OD1 ASP A 36 -5.592 -19.719 0.008 1.00 35.02 O ATOM 562 OD2 ASP A 36 -3.834 -18.440 -0.288 1.00 44.43 O ATOM 0 H ASP A 36 -7.188 -18.328 0.862 1.00 22.20 H new ATOM 0 HA ASP A 36 -5.742 -15.965 0.181 1.00 25.54 H new ATOM 0 HB2 ASP A 36 -6.719 -18.171 -1.679 1.00 41.44 H new ATOM 0 HB3 ASP A 36 -5.322 -17.137 -1.899 1.00 41.44 H new ATOM 567 N GLN A 37 -7.495 -14.449 -0.753 1.00 3.51 N ATOM 568 CA GLN A 37 -8.496 -13.528 -1.316 1.00 14.44 C ATOM 569 C GLN A 37 -7.937 -12.770 -2.534 1.00 54.14 C ATOM 570 O GLN A 37 -6.755 -12.437 -2.571 1.00 64.10 O ATOM 571 CB GLN A 37 -8.942 -12.514 -0.248 1.00 30.24 C ATOM 572 CG GLN A 37 -9.376 -13.142 1.073 1.00 55.11 C ATOM 573 CD GLN A 37 -10.582 -14.059 0.946 1.00 10.41 C ATOM 574 OE1 GLN A 37 -10.456 -15.249 0.698 1.00 51.15 O ATOM 575 NE2 GLN A 37 -11.764 -13.511 1.129 1.00 54.52 N ATOM 0 H GLN A 37 -6.747 -13.988 -0.235 1.00 3.51 H new ATOM 0 HA GLN A 37 -9.350 -14.124 -1.639 1.00 14.44 H new ATOM 0 HB2 GLN A 37 -8.122 -11.822 -0.056 1.00 30.24 H new ATOM 0 HB3 GLN A 37 -9.769 -11.925 -0.646 1.00 30.24 H new ATOM 0 HG2 GLN A 37 -8.542 -13.708 1.487 1.00 55.11 H new ATOM 0 HG3 GLN A 37 -9.607 -12.349 1.784 1.00 55.11 H new ATOM 0 HE21 GLN A 37 -11.838 -12.515 1.335 1.00 54.52 H new ATOM 0 HE22 GLN A 37 -12.606 -14.082 1.065 1.00 54.52 H new ATOM 584 N PRO A 38 -8.780 -12.490 -3.551 1.00 74.21 N ATOM 585 CA PRO A 38 -8.368 -11.690 -4.721 1.00 41.22 C ATOM 586 C PRO A 38 -7.798 -10.309 -4.335 1.00 20.45 C ATOM 587 O PRO A 38 -8.101 -9.777 -3.268 1.00 35.44 O ATOM 588 CB PRO A 38 -9.673 -11.531 -5.520 1.00 32.44 C ATOM 589 CG PRO A 38 -10.519 -12.684 -5.096 1.00 53.40 C ATOM 590 CD PRO A 38 -10.184 -12.929 -3.649 1.00 2.21 C ATOM 0 HA PRO A 38 -7.564 -12.174 -5.276 1.00 41.22 H new ATOM 0 HB2 PRO A 38 -10.159 -10.581 -5.299 1.00 32.44 H new ATOM 0 HB3 PRO A 38 -9.485 -11.551 -6.593 1.00 32.44 H new ATOM 0 HG2 PRO A 38 -11.578 -12.458 -5.219 1.00 53.40 H new ATOM 0 HG3 PRO A 38 -10.309 -13.566 -5.701 1.00 53.40 H new ATOM 0 HD2 PRO A 38 -10.832 -12.359 -2.983 1.00 2.21 H new ATOM 0 HD3 PRO A 38 -10.297 -13.980 -3.381 1.00 2.21 H new ATOM 598 N MET A 39 -6.973 -9.738 -5.214 1.00 2.43 N ATOM 599 CA MET A 39 -6.345 -8.429 -4.960 1.00 1.51 C ATOM 600 C MET A 39 -7.396 -7.312 -4.769 1.00 33.31 C ATOM 601 O MET A 39 -7.153 -6.325 -4.073 1.00 3.24 O ATOM 602 CB MET A 39 -5.393 -8.072 -6.114 1.00 14.40 C ATOM 603 CG MET A 39 -4.558 -6.807 -5.896 1.00 34.01 C ATOM 604 SD MET A 39 -3.220 -7.019 -4.694 1.00 31.21 S ATOM 605 CE MET A 39 -4.072 -6.816 -3.127 1.00 11.20 C ATOM 0 H MET A 39 -6.721 -10.157 -6.109 1.00 2.43 H new ATOM 0 HA MET A 39 -5.779 -8.507 -4.032 1.00 1.51 H new ATOM 0 HB2 MET A 39 -4.717 -8.911 -6.281 1.00 14.40 H new ATOM 0 HB3 MET A 39 -5.980 -7.950 -7.024 1.00 14.40 H new ATOM 0 HG2 MET A 39 -4.132 -6.494 -6.849 1.00 34.01 H new ATOM 0 HG3 MET A 39 -5.213 -6.003 -5.560 1.00 34.01 H new ATOM 0 HE1 MET A 39 -3.426 -6.286 -2.427 1.00 11.20 H new ATOM 0 HE2 MET A 39 -4.987 -6.243 -3.282 1.00 11.20 H new ATOM 0 HE3 MET A 39 -4.322 -7.795 -2.719 1.00 11.20 H new ATOM 615 N GLY A 40 -8.554 -7.468 -5.409 1.00 73.51 N ATOM 616 CA GLY A 40 -9.648 -6.513 -5.246 1.00 71.04 C ATOM 617 C GLY A 40 -9.559 -5.316 -6.190 1.00 3.11 C ATOM 618 O GLY A 40 -8.608 -5.182 -6.962 1.00 62.30 O ATOM 0 H GLY A 40 -8.758 -8.242 -6.041 1.00 73.51 H new ATOM 0 HA2 GLY A 40 -10.595 -7.026 -5.412 1.00 71.04 H new ATOM 0 HA3 GLY A 40 -9.656 -6.154 -4.217 1.00 71.04 H new ATOM 622 N GLY A 41 -10.564 -4.443 -6.133 1.00 42.41 N ATOM 623 CA GLY A 41 -10.585 -3.251 -6.979 1.00 5.44 C ATOM 624 C GLY A 41 -10.539 -1.957 -6.174 1.00 42.25 C ATOM 625 O GLY A 41 -11.380 -1.074 -6.350 1.00 62.00 O ATOM 0 H GLY A 41 -11.369 -4.538 -5.514 1.00 42.41 H new ATOM 0 HA2 GLY A 41 -9.736 -3.280 -7.661 1.00 5.44 H new ATOM 0 HA3 GLY A 41 -11.487 -3.261 -7.592 1.00 5.44 H new ATOM 629 N TRP A 42 -9.554 -1.850 -5.287 1.00 4.23 N ATOM 630 CA TRP A 42 -9.411 -0.676 -4.416 1.00 11.24 C ATOM 631 C TRP A 42 -8.366 0.301 -4.981 1.00 64.03 C ATOM 632 O TRP A 42 -7.672 -0.015 -5.947 1.00 62.33 O ATOM 633 CB TRP A 42 -8.992 -1.117 -3.004 1.00 25.43 C ATOM 634 CG TRP A 42 -9.614 -2.412 -2.555 1.00 55.32 C ATOM 635 CD1 TRP A 42 -10.935 -2.771 -2.620 1.00 4.00 C ATOM 636 CD2 TRP A 42 -8.928 -3.522 -1.964 1.00 20.13 C ATOM 637 NE1 TRP A 42 -11.104 -4.037 -2.112 1.00 33.41 N ATOM 638 CE2 TRP A 42 -9.888 -4.516 -1.702 1.00 11.01 C ATOM 639 CE3 TRP A 42 -7.590 -3.773 -1.632 1.00 42.33 C ATOM 640 CZ2 TRP A 42 -9.555 -5.738 -1.126 1.00 4.12 C ATOM 641 CZ3 TRP A 42 -7.263 -4.988 -1.060 1.00 35.32 C ATOM 642 CH2 TRP A 42 -8.242 -5.956 -0.811 1.00 31.13 C ATOM 0 H TRP A 42 -8.838 -2.563 -5.148 1.00 4.23 H new ATOM 0 HA TRP A 42 -10.374 -0.168 -4.369 1.00 11.24 H new ATOM 0 HB2 TRP A 42 -7.907 -1.218 -2.973 1.00 25.43 H new ATOM 0 HB3 TRP A 42 -9.260 -0.333 -2.296 1.00 25.43 H new ATOM 0 HD1 TRP A 42 -11.727 -2.150 -3.013 1.00 4.00 H new ATOM 0 HE1 TRP A 42 -11.990 -4.538 -2.050 1.00 33.41 H new ATOM 0 HE3 TRP A 42 -6.828 -3.031 -1.820 1.00 42.33 H new ATOM 0 HZ2 TRP A 42 -10.307 -6.489 -0.934 1.00 4.12 H new ATOM 0 HZ3 TRP A 42 -6.235 -5.194 -0.801 1.00 35.32 H new ATOM 0 HH2 TRP A 42 -7.955 -6.895 -0.361 1.00 31.13 H new ATOM 653 N GLU A 43 -8.247 1.482 -4.376 1.00 2.33 N ATOM 654 CA GLU A 43 -7.231 2.457 -4.797 1.00 41.12 C ATOM 655 C GLU A 43 -6.545 3.112 -3.589 1.00 31.32 C ATOM 656 O GLU A 43 -7.192 3.475 -2.603 1.00 75.11 O ATOM 657 CB GLU A 43 -7.844 3.532 -5.711 1.00 53.25 C ATOM 658 CG GLU A 43 -6.822 4.542 -6.234 1.00 21.22 C ATOM 659 CD GLU A 43 -7.406 5.533 -7.232 1.00 65.33 C ATOM 660 OE1 GLU A 43 -8.076 6.497 -6.801 1.00 22.31 O ATOM 661 OE2 GLU A 43 -7.181 5.362 -8.451 1.00 10.13 O ATOM 0 H GLU A 43 -8.833 1.789 -3.600 1.00 2.33 H new ATOM 0 HA GLU A 43 -6.473 1.913 -5.361 1.00 41.12 H new ATOM 0 HB2 GLU A 43 -8.328 3.045 -6.558 1.00 53.25 H new ATOM 0 HB3 GLU A 43 -8.621 4.064 -5.162 1.00 53.25 H new ATOM 0 HG2 GLU A 43 -6.402 5.091 -5.392 1.00 21.22 H new ATOM 0 HG3 GLU A 43 -6.000 4.004 -6.706 1.00 21.22 H new ATOM 668 N MET A 44 -5.225 3.253 -3.677 1.00 44.13 N ATOM 669 CA MET A 44 -4.425 3.839 -2.597 1.00 12.43 C ATOM 670 C MET A 44 -3.974 5.269 -2.944 1.00 30.30 C ATOM 671 O MET A 44 -3.321 5.493 -3.963 1.00 10.05 O ATOM 672 CB MET A 44 -3.203 2.953 -2.332 1.00 52.54 C ATOM 673 CG MET A 44 -2.331 3.439 -1.189 1.00 51.42 C ATOM 674 SD MET A 44 -0.969 2.316 -0.822 1.00 64.22 S ATOM 675 CE MET A 44 -0.088 2.328 -2.383 1.00 31.22 C ATOM 0 H MET A 44 -4.680 2.968 -4.491 1.00 44.13 H new ATOM 0 HA MET A 44 -5.043 3.894 -1.701 1.00 12.43 H new ATOM 0 HB2 MET A 44 -3.541 1.940 -2.114 1.00 52.54 H new ATOM 0 HB3 MET A 44 -2.601 2.900 -3.239 1.00 52.54 H new ATOM 0 HG2 MET A 44 -1.929 4.421 -1.437 1.00 51.42 H new ATOM 0 HG3 MET A 44 -2.945 3.562 -0.297 1.00 51.42 H new ATOM 0 HE1 MET A 44 0.978 2.197 -2.200 1.00 31.22 H new ATOM 0 HE2 MET A 44 -0.451 1.515 -3.012 1.00 31.22 H new ATOM 0 HE3 MET A 44 -0.255 3.280 -2.888 1.00 31.22 H new ATOM 685 N ILE A 45 -4.327 6.235 -2.094 1.00 4.34 N ATOM 686 CA ILE A 45 -3.958 7.643 -2.316 1.00 70.31 C ATOM 687 C ILE A 45 -2.813 8.079 -1.380 1.00 12.33 C ATOM 688 O ILE A 45 -2.917 7.966 -0.162 1.00 42.13 O ATOM 689 CB ILE A 45 -5.170 8.603 -2.111 1.00 62.10 C ATOM 690 CG1 ILE A 45 -6.313 8.295 -3.105 1.00 1.21 C ATOM 691 CG2 ILE A 45 -4.730 10.063 -2.247 1.00 41.44 C ATOM 692 CD1 ILE A 45 -7.079 7.016 -2.813 1.00 43.12 C ATOM 0 H ILE A 45 -4.868 6.073 -1.245 1.00 4.34 H new ATOM 0 HA ILE A 45 -3.626 7.711 -3.352 1.00 70.31 H new ATOM 0 HB ILE A 45 -5.550 8.441 -1.102 1.00 62.10 H new ATOM 0 HG12 ILE A 45 -7.013 9.130 -3.103 1.00 1.21 H new ATOM 0 HG13 ILE A 45 -5.895 8.231 -4.110 1.00 1.21 H new ATOM 0 HG21 ILE A 45 -5.590 10.717 -2.101 1.00 41.44 H new ATOM 0 HG22 ILE A 45 -3.972 10.286 -1.496 1.00 41.44 H new ATOM 0 HG23 ILE A 45 -4.315 10.227 -3.241 1.00 41.44 H new ATOM 0 HD11 ILE A 45 -7.861 6.881 -3.561 1.00 43.12 H new ATOM 0 HD12 ILE A 45 -6.396 6.167 -2.845 1.00 43.12 H new ATOM 0 HD13 ILE A 45 -7.531 7.080 -1.823 1.00 43.12 H new ATOM 704 N ARG A 46 -1.726 8.583 -1.956 1.00 64.22 N ATOM 705 CA ARG A 46 -0.571 9.047 -1.177 1.00 40.24 C ATOM 706 C ARG A 46 -0.685 10.539 -0.827 1.00 71.11 C ATOM 707 O ARG A 46 -0.810 11.380 -1.716 1.00 11.03 O ATOM 708 CB ARG A 46 0.722 8.819 -1.971 1.00 42.52 C ATOM 709 CG ARG A 46 1.986 9.287 -1.250 1.00 2.41 C ATOM 710 CD ARG A 46 3.204 9.255 -2.171 1.00 65.44 C ATOM 711 NE ARG A 46 4.439 9.629 -1.480 1.00 4.35 N ATOM 712 CZ ARG A 46 5.210 10.629 -1.832 1.00 44.11 C ATOM 713 NH1 ARG A 46 4.866 11.425 -2.791 1.00 14.25 N ATOM 714 NH2 ARG A 46 6.325 10.837 -1.211 1.00 73.40 N ATOM 0 H ARG A 46 -1.616 8.683 -2.965 1.00 64.22 H new ATOM 0 HA ARG A 46 -0.551 8.475 -0.250 1.00 40.24 H new ATOM 0 HB2 ARG A 46 0.816 7.756 -2.195 1.00 42.52 H new ATOM 0 HB3 ARG A 46 0.647 9.340 -2.925 1.00 42.52 H new ATOM 0 HG2 ARG A 46 1.838 10.300 -0.876 1.00 2.41 H new ATOM 0 HG3 ARG A 46 2.168 8.651 -0.383 1.00 2.41 H new ATOM 0 HD2 ARG A 46 3.314 8.254 -2.588 1.00 65.44 H new ATOM 0 HD3 ARG A 46 3.040 9.933 -3.008 1.00 65.44 H new ATOM 0 HE ARG A 46 4.718 9.075 -0.671 1.00 4.35 H new ATOM 0 HH11 ARG A 46 3.985 11.279 -3.284 1.00 14.25 H new ATOM 0 HH12 ARG A 46 5.476 12.199 -3.055 1.00 14.25 H new ATOM 0 HH21 ARG A 46 6.605 10.223 -0.447 1.00 73.40 H new ATOM 0 HH22 ARG A 46 6.924 11.615 -1.486 1.00 73.40 H new ATOM 728 N LYS A 47 -0.635 10.862 0.462 1.00 0.34 N ATOM 729 CA LYS A 47 -0.585 12.259 0.908 1.00 50.21 C ATOM 730 C LYS A 47 0.733 12.551 1.645 1.00 21.30 C ATOM 731 O LYS A 47 0.932 12.115 2.777 1.00 64.41 O ATOM 732 CB LYS A 47 -1.773 12.591 1.827 1.00 20.43 C ATOM 733 CG LYS A 47 -3.136 12.527 1.146 1.00 63.02 C ATOM 734 CD LYS A 47 -4.239 13.017 2.079 1.00 14.14 C ATOM 735 CE LYS A 47 -5.603 13.021 1.402 1.00 10.22 C ATOM 736 NZ LYS A 47 -6.650 13.593 2.285 1.00 22.23 N ATOM 0 H LYS A 47 -0.628 10.179 1.219 1.00 0.34 H new ATOM 0 HA LYS A 47 -0.643 12.887 0.019 1.00 50.21 H new ATOM 0 HB2 LYS A 47 -1.769 11.899 2.669 1.00 20.43 H new ATOM 0 HB3 LYS A 47 -1.632 13.592 2.236 1.00 20.43 H new ATOM 0 HG2 LYS A 47 -3.123 13.135 0.242 1.00 63.02 H new ATOM 0 HG3 LYS A 47 -3.344 11.502 0.838 1.00 63.02 H new ATOM 0 HD2 LYS A 47 -4.275 12.380 2.963 1.00 14.14 H new ATOM 0 HD3 LYS A 47 -4.002 14.024 2.422 1.00 14.14 H new ATOM 0 HE2 LYS A 47 -5.550 13.598 0.479 1.00 10.22 H new ATOM 0 HE3 LYS A 47 -5.876 12.002 1.126 1.00 10.22 H new ATOM 0 HZ1 LYS A 47 -7.565 13.580 1.792 1.00 22.23 H new ATOM 0 HZ2 LYS A 47 -6.717 13.027 3.155 1.00 22.23 H new ATOM 0 HZ3 LYS A 47 -6.402 14.573 2.528 1.00 22.23 H new ATOM 750 N ILE A 48 1.643 13.264 0.989 1.00 42.24 N ATOM 751 CA ILE A 48 2.895 13.685 1.633 1.00 30.11 C ATOM 752 C ILE A 48 2.765 15.110 2.201 1.00 2.41 C ATOM 753 O ILE A 48 3.479 15.497 3.126 1.00 43.30 O ATOM 754 CB ILE A 48 4.093 13.609 0.645 1.00 71.02 C ATOM 755 CG1 ILE A 48 5.409 13.993 1.346 1.00 44.45 C ATOM 756 CG2 ILE A 48 3.844 14.497 -0.573 1.00 1.42 C ATOM 757 CD1 ILE A 48 6.632 13.903 0.454 1.00 24.10 C ATOM 0 H ILE A 48 1.544 13.564 0.019 1.00 42.24 H new ATOM 0 HA ILE A 48 3.089 12.996 2.455 1.00 30.11 H new ATOM 0 HB ILE A 48 4.185 12.579 0.301 1.00 71.02 H new ATOM 0 HG12 ILE A 48 5.323 15.011 1.725 1.00 44.45 H new ATOM 0 HG13 ILE A 48 5.552 13.342 2.209 1.00 44.45 H new ATOM 0 HG21 ILE A 48 4.694 14.430 -1.252 1.00 1.42 H new ATOM 0 HG22 ILE A 48 2.942 14.165 -1.087 1.00 1.42 H new ATOM 0 HG23 ILE A 48 3.718 15.531 -0.250 1.00 1.42 H new ATOM 0 HD11 ILE A 48 7.518 14.189 1.021 1.00 24.10 H new ATOM 0 HD12 ILE A 48 6.746 12.880 0.095 1.00 24.10 H new ATOM 0 HD13 ILE A 48 6.513 14.575 -0.396 1.00 24.10 H new ATOM 769 N GLY A 49 1.834 15.878 1.643 1.00 71.32 N ATOM 770 CA GLY A 49 1.595 17.237 2.110 1.00 50.04 C ATOM 771 C GLY A 49 0.601 17.985 1.231 1.00 2.13 C ATOM 772 O GLY A 49 -0.612 17.868 1.413 1.00 25.11 O ATOM 0 H GLY A 49 1.236 15.583 0.871 1.00 71.32 H new ATOM 0 HA2 GLY A 49 1.220 17.206 3.133 1.00 50.04 H new ATOM 0 HA3 GLY A 49 2.539 17.782 2.132 1.00 50.04 H new ATOM 776 N ASP A 50 1.115 18.746 0.270 1.00 72.40 N ATOM 777 CA ASP A 50 0.271 19.474 -0.681 1.00 13.13 C ATOM 778 C ASP A 50 -0.014 18.631 -1.939 1.00 11.42 C ATOM 779 O ASP A 50 -1.138 18.616 -2.445 1.00 63.11 O ATOM 780 CB ASP A 50 0.929 20.807 -1.062 1.00 4.35 C ATOM 781 CG ASP A 50 2.302 20.626 -1.686 1.00 5.11 C ATOM 782 OD1 ASP A 50 3.282 20.444 -0.934 1.00 61.32 O ATOM 783 OD2 ASP A 50 2.406 20.657 -2.927 1.00 32.54 O ATOM 0 H ASP A 50 2.116 18.877 0.126 1.00 72.40 H new ATOM 0 HA ASP A 50 -0.684 19.678 -0.197 1.00 13.13 H new ATOM 0 HB2 ASP A 50 0.284 21.339 -1.761 1.00 4.35 H new ATOM 0 HB3 ASP A 50 1.018 21.431 -0.173 1.00 4.35 H new ATOM 788 N THR A 51 1.004 17.924 -2.432 1.00 72.10 N ATOM 789 CA THR A 51 0.862 17.082 -3.635 1.00 34.52 C ATOM 790 C THR A 51 0.500 15.632 -3.277 1.00 45.35 C ATOM 791 O THR A 51 0.908 15.110 -2.234 1.00 62.33 O ATOM 792 CB THR A 51 2.150 17.080 -4.501 1.00 20.32 C ATOM 793 OG1 THR A 51 2.000 16.187 -5.620 1.00 15.30 O ATOM 794 CG2 THR A 51 3.369 16.666 -3.686 1.00 33.03 C ATOM 0 H THR A 51 1.938 17.913 -2.022 1.00 72.10 H new ATOM 0 HA THR A 51 0.049 17.522 -4.212 1.00 34.52 H new ATOM 0 HB THR A 51 2.303 18.097 -4.861 1.00 20.32 H new ATOM 0 HG1 THR A 51 2.819 16.197 -6.158 1.00 15.30 H new ATOM 0 HG21 THR A 51 4.253 16.675 -4.323 1.00 33.03 H new ATOM 0 HG22 THR A 51 3.509 17.364 -2.861 1.00 33.03 H new ATOM 0 HG23 THR A 51 3.218 15.662 -3.290 1.00 33.03 H new ATOM 802 N SER A 52 -0.265 14.981 -4.154 1.00 34.31 N ATOM 803 CA SER A 52 -0.720 13.601 -3.924 1.00 20.23 C ATOM 804 C SER A 52 -0.694 12.774 -5.218 1.00 73.12 C ATOM 805 O SER A 52 -0.521 13.311 -6.312 1.00 0.30 O ATOM 806 CB SER A 52 -2.144 13.588 -3.341 1.00 41.03 C ATOM 807 OG SER A 52 -3.104 14.048 -4.287 1.00 42.11 O ATOM 0 H SER A 52 -0.586 15.385 -5.034 1.00 34.31 H new ATOM 0 HA SER A 52 -0.030 13.151 -3.210 1.00 20.23 H new ATOM 0 HB2 SER A 52 -2.399 12.576 -3.026 1.00 41.03 H new ATOM 0 HB3 SER A 52 -2.179 14.217 -2.452 1.00 41.03 H new ATOM 0 HG SER A 52 -3.997 14.025 -3.884 1.00 42.11 H new ATOM 813 N VAL A 53 -0.865 11.461 -5.081 1.00 13.32 N ATOM 814 CA VAL A 53 -0.911 10.547 -6.231 1.00 2.22 C ATOM 815 C VAL A 53 -1.546 9.206 -5.829 1.00 34.51 C ATOM 816 O VAL A 53 -1.316 8.714 -4.724 1.00 21.32 O ATOM 817 CB VAL A 53 0.506 10.307 -6.825 1.00 41.12 C ATOM 818 CG1 VAL A 53 1.448 9.730 -5.773 1.00 15.00 C ATOM 819 CG2 VAL A 53 0.441 9.406 -8.060 1.00 45.43 C ATOM 0 H VAL A 53 -0.975 10.999 -4.179 1.00 13.32 H new ATOM 0 HA VAL A 53 -1.525 11.017 -6.999 1.00 2.22 H new ATOM 0 HB VAL A 53 0.905 11.272 -7.139 1.00 41.12 H new ATOM 0 HG11 VAL A 53 2.432 9.571 -6.214 1.00 15.00 H new ATOM 0 HG12 VAL A 53 1.532 10.426 -4.939 1.00 15.00 H new ATOM 0 HG13 VAL A 53 1.054 8.779 -5.414 1.00 15.00 H new ATOM 0 HG21 VAL A 53 1.446 9.256 -8.454 1.00 45.43 H new ATOM 0 HG22 VAL A 53 0.011 8.443 -7.785 1.00 45.43 H new ATOM 0 HG23 VAL A 53 -0.180 9.877 -8.822 1.00 45.43 H new ATOM 829 N SER A 54 -2.348 8.619 -6.716 1.00 53.43 N ATOM 830 CA SER A 54 -3.093 7.391 -6.388 1.00 61.13 C ATOM 831 C SER A 54 -2.657 6.187 -7.235 1.00 11.14 C ATOM 832 O SER A 54 -2.066 6.333 -8.308 1.00 35.23 O ATOM 833 CB SER A 54 -4.602 7.623 -6.558 1.00 44.03 C ATOM 834 OG SER A 54 -4.935 7.953 -7.901 1.00 44.43 O ATOM 0 H SER A 54 -2.502 8.966 -7.663 1.00 53.43 H new ATOM 0 HA SER A 54 -2.867 7.156 -5.348 1.00 61.13 H new ATOM 0 HB2 SER A 54 -5.144 6.726 -6.258 1.00 44.03 H new ATOM 0 HB3 SER A 54 -4.924 8.426 -5.895 1.00 44.03 H new ATOM 0 HG SER A 54 -5.902 8.092 -7.973 1.00 44.43 H new ATOM 840 N TYR A 55 -2.959 4.990 -6.734 1.00 53.32 N ATOM 841 CA TYR A 55 -2.642 3.737 -7.429 1.00 70.21 C ATOM 842 C TYR A 55 -3.744 2.694 -7.192 1.00 51.51 C ATOM 843 O TYR A 55 -3.965 2.263 -6.059 1.00 71.03 O ATOM 844 CB TYR A 55 -1.289 3.200 -6.941 1.00 22.21 C ATOM 845 CG TYR A 55 -0.826 1.922 -7.629 1.00 51.41 C ATOM 846 CD1 TYR A 55 -0.368 1.943 -8.943 1.00 13.01 C ATOM 847 CD2 TYR A 55 -0.825 0.702 -6.958 1.00 51.03 C ATOM 848 CE1 TYR A 55 0.077 0.792 -9.565 1.00 51.20 C ATOM 849 CE2 TYR A 55 -0.386 -0.454 -7.577 1.00 41.12 C ATOM 850 CZ TYR A 55 0.065 -0.403 -8.880 1.00 61.11 C ATOM 851 OH TYR A 55 0.513 -1.549 -9.498 1.00 34.21 O ATOM 0 H TYR A 55 -3.429 4.858 -5.838 1.00 53.32 H new ATOM 0 HA TYR A 55 -2.583 3.935 -8.499 1.00 70.21 H new ATOM 0 HB2 TYR A 55 -0.533 3.971 -7.089 1.00 22.21 H new ATOM 0 HB3 TYR A 55 -1.352 3.017 -5.868 1.00 22.21 H new ATOM 0 HD1 TYR A 55 -0.360 2.876 -9.487 1.00 13.01 H new ATOM 0 HD2 TYR A 55 -1.173 0.658 -5.937 1.00 51.03 H new ATOM 0 HE1 TYR A 55 0.433 0.829 -10.584 1.00 51.20 H new ATOM 0 HE2 TYR A 55 -0.396 -1.393 -7.043 1.00 41.12 H new ATOM 0 HH TYR A 55 1.464 -1.454 -9.714 1.00 34.21 H new ATOM 861 N LYS A 56 -4.445 2.301 -8.254 1.00 54.41 N ATOM 862 CA LYS A 56 -5.516 1.305 -8.139 1.00 64.03 C ATOM 863 C LYS A 56 -4.971 -0.127 -8.255 1.00 65.11 C ATOM 864 O LYS A 56 -4.091 -0.411 -9.070 1.00 11.04 O ATOM 865 CB LYS A 56 -6.601 1.536 -9.205 1.00 23.14 C ATOM 866 CG LYS A 56 -7.748 0.529 -9.125 1.00 22.23 C ATOM 867 CD LYS A 56 -8.800 0.744 -10.209 1.00 71.13 C ATOM 868 CE LYS A 56 -9.885 -0.327 -10.144 1.00 75.21 C ATOM 869 NZ LYS A 56 -10.893 -0.176 -11.224 1.00 2.50 N ATOM 0 H LYS A 56 -4.294 2.653 -9.200 1.00 54.41 H new ATOM 0 HA LYS A 56 -5.959 1.425 -7.150 1.00 64.03 H new ATOM 0 HB2 LYS A 56 -7.002 2.543 -9.093 1.00 23.14 H new ATOM 0 HB3 LYS A 56 -6.147 1.482 -10.194 1.00 23.14 H new ATOM 0 HG2 LYS A 56 -7.346 -0.480 -9.211 1.00 22.23 H new ATOM 0 HG3 LYS A 56 -8.222 0.602 -8.146 1.00 22.23 H new ATOM 0 HD2 LYS A 56 -9.251 1.730 -10.092 1.00 71.13 H new ATOM 0 HD3 LYS A 56 -8.325 0.725 -11.190 1.00 71.13 H new ATOM 0 HE2 LYS A 56 -9.424 -1.312 -10.216 1.00 75.21 H new ATOM 0 HE3 LYS A 56 -10.383 -0.278 -9.176 1.00 75.21 H new ATOM 0 HZ1 LYS A 56 -11.609 -0.926 -11.138 1.00 2.50 H new ATOM 0 HZ2 LYS A 56 -11.353 0.753 -11.142 1.00 2.50 H new ATOM 0 HZ3 LYS A 56 -10.424 -0.249 -12.149 1.00 2.50 H new ATOM 883 N TYR A 57 -5.513 -1.024 -7.441 1.00 42.24 N ATOM 884 CA TYR A 57 -5.107 -2.431 -7.439 1.00 62.35 C ATOM 885 C TYR A 57 -5.907 -3.249 -8.464 1.00 55.10 C ATOM 886 O TYR A 57 -7.090 -2.989 -8.704 1.00 0.22 O ATOM 887 CB TYR A 57 -5.280 -3.022 -6.034 1.00 1.24 C ATOM 888 CG TYR A 57 -4.410 -2.342 -4.993 1.00 73.51 C ATOM 889 CD1 TYR A 57 -4.821 -1.166 -4.372 1.00 12.22 C ATOM 890 CD2 TYR A 57 -3.168 -2.866 -4.646 1.00 52.31 C ATOM 891 CE1 TYR A 57 -4.022 -0.536 -3.436 1.00 24.32 C ATOM 892 CE2 TYR A 57 -2.364 -2.239 -3.715 1.00 11.10 C ATOM 893 CZ TYR A 57 -2.795 -1.076 -3.112 1.00 35.21 C ATOM 894 OH TYR A 57 -1.990 -0.446 -2.191 1.00 22.11 O ATOM 0 H TYR A 57 -6.244 -0.802 -6.765 1.00 42.24 H new ATOM 0 HA TYR A 57 -4.056 -2.481 -7.724 1.00 62.35 H new ATOM 0 HB2 TYR A 57 -6.325 -2.938 -5.737 1.00 1.24 H new ATOM 0 HB3 TYR A 57 -5.041 -4.085 -6.061 1.00 1.24 H new ATOM 0 HD1 TYR A 57 -5.780 -0.739 -4.626 1.00 12.22 H new ATOM 0 HD2 TYR A 57 -2.828 -3.778 -5.113 1.00 52.31 H new ATOM 0 HE1 TYR A 57 -4.357 0.374 -2.961 1.00 24.32 H new ATOM 0 HE2 TYR A 57 -1.402 -2.658 -3.460 1.00 11.10 H new ATOM 0 HH TYR A 57 -1.162 -0.957 -2.077 1.00 22.11 H new ATOM 904 N THR A 58 -5.252 -4.239 -9.071 1.00 10.42 N ATOM 905 CA THR A 58 -5.892 -5.095 -10.082 1.00 62.44 C ATOM 906 C THR A 58 -5.854 -6.576 -9.677 1.00 10.54 C ATOM 907 O THR A 58 -4.803 -7.106 -9.308 1.00 62.22 O ATOM 908 CB THR A 58 -5.228 -4.932 -11.474 1.00 4.22 C ATOM 909 OG1 THR A 58 -5.802 -5.857 -12.411 1.00 55.50 O ATOM 910 CG2 THR A 58 -3.717 -5.144 -11.407 1.00 13.31 C ATOM 0 H THR A 58 -4.277 -4.472 -8.883 1.00 10.42 H new ATOM 0 HA THR A 58 -6.931 -4.771 -10.144 1.00 62.44 H new ATOM 0 HB THR A 58 -5.414 -3.911 -11.807 1.00 4.22 H new ATOM 0 HG1 THR A 58 -5.376 -5.743 -13.286 1.00 55.50 H new ATOM 0 HG21 THR A 58 -3.288 -5.022 -12.402 1.00 13.31 H new ATOM 0 HG22 THR A 58 -3.277 -4.413 -10.729 1.00 13.31 H new ATOM 0 HG23 THR A 58 -3.506 -6.149 -11.042 1.00 13.31 H new ATOM 918 N SER A 59 -7.006 -7.242 -9.742 1.00 14.02 N ATOM 919 CA SER A 59 -7.098 -8.665 -9.378 1.00 43.25 C ATOM 920 C SER A 59 -6.474 -9.571 -10.447 1.00 2.02 C ATOM 921 O SER A 59 -7.176 -10.218 -11.221 1.00 11.45 O ATOM 922 CB SER A 59 -8.556 -9.078 -9.124 1.00 3.23 C ATOM 923 OG SER A 59 -9.070 -8.440 -7.964 1.00 65.20 O ATOM 0 H SER A 59 -7.888 -6.826 -10.041 1.00 14.02 H new ATOM 0 HA SER A 59 -6.530 -8.792 -8.456 1.00 43.25 H new ATOM 0 HB2 SER A 59 -9.167 -8.818 -9.988 1.00 3.23 H new ATOM 0 HB3 SER A 59 -8.616 -10.160 -9.005 1.00 3.23 H new ATOM 0 HG SER A 59 -10.000 -8.717 -7.823 1.00 65.20 H new ATOM 929 N ARG A 60 -5.143 -9.589 -10.490 1.00 53.35 N ATOM 930 CA ARG A 60 -4.399 -10.474 -11.399 1.00 24.43 C ATOM 931 C ARG A 60 -3.928 -11.752 -10.683 1.00 61.43 C ATOM 932 O ARG A 60 -3.315 -12.631 -11.292 1.00 44.33 O ATOM 933 CB ARG A 60 -3.197 -9.730 -12.000 1.00 15.33 C ATOM 934 CG ARG A 60 -2.416 -8.889 -10.993 1.00 43.20 C ATOM 935 CD ARG A 60 -1.070 -8.429 -11.552 1.00 31.35 C ATOM 936 NE ARG A 60 -0.055 -9.481 -11.472 1.00 41.05 N ATOM 937 CZ ARG A 60 0.226 -10.325 -12.434 1.00 15.23 C ATOM 938 NH1 ARG A 60 -0.414 -10.295 -13.560 1.00 14.04 N ATOM 939 NH2 ARG A 60 1.158 -11.200 -12.256 1.00 1.23 N ATOM 0 H ARG A 60 -4.551 -9.000 -9.905 1.00 53.35 H new ATOM 0 HA ARG A 60 -5.075 -10.770 -12.201 1.00 24.43 H new ATOM 0 HB2 ARG A 60 -2.522 -10.457 -12.451 1.00 15.33 H new ATOM 0 HB3 ARG A 60 -3.549 -9.082 -12.803 1.00 15.33 H new ATOM 0 HG2 ARG A 60 -3.008 -8.018 -10.711 1.00 43.20 H new ATOM 0 HG3 ARG A 60 -2.252 -9.470 -10.085 1.00 43.20 H new ATOM 0 HD2 ARG A 60 -1.194 -8.123 -12.591 1.00 31.35 H new ATOM 0 HD3 ARG A 60 -0.729 -7.553 -11.001 1.00 31.35 H new ATOM 0 HE ARG A 60 0.473 -9.563 -10.603 1.00 41.05 H new ATOM 0 HH11 ARG A 60 -1.151 -9.606 -13.709 1.00 14.04 H new ATOM 0 HH12 ARG A 60 -0.181 -10.960 -14.297 1.00 14.04 H new ATOM 0 HH21 ARG A 60 1.668 -11.230 -11.373 1.00 1.23 H new ATOM 0 HH22 ARG A 60 1.385 -11.862 -12.998 1.00 1.23 H new ATOM 953 N TYR A 61 -4.214 -11.836 -9.386 1.00 14.52 N ATOM 954 CA TYR A 61 -3.891 -13.018 -8.580 1.00 75.22 C ATOM 955 C TYR A 61 -4.579 -12.943 -7.212 1.00 61.41 C ATOM 956 O TYR A 61 -5.180 -11.920 -6.865 1.00 53.43 O ATOM 957 CB TYR A 61 -2.367 -13.174 -8.396 1.00 72.25 C ATOM 958 CG TYR A 61 -1.689 -12.018 -7.673 1.00 12.03 C ATOM 959 CD1 TYR A 61 -1.650 -11.963 -6.283 1.00 73.03 C ATOM 960 CD2 TYR A 61 -1.072 -10.992 -8.383 1.00 60.10 C ATOM 961 CE1 TYR A 61 -1.024 -10.921 -5.625 1.00 20.41 C ATOM 962 CE2 TYR A 61 -0.446 -9.947 -7.731 1.00 70.44 C ATOM 963 CZ TYR A 61 -0.423 -9.915 -6.353 1.00 61.32 C ATOM 964 OH TYR A 61 0.205 -8.875 -5.706 1.00 34.25 O ATOM 0 H TYR A 61 -4.674 -11.091 -8.863 1.00 14.52 H new ATOM 0 HA TYR A 61 -4.261 -13.892 -9.116 1.00 75.22 H new ATOM 0 HB2 TYR A 61 -2.174 -14.093 -7.843 1.00 72.25 H new ATOM 0 HB3 TYR A 61 -1.907 -13.290 -9.377 1.00 72.25 H new ATOM 0 HD1 TYR A 61 -2.117 -12.749 -5.708 1.00 73.03 H new ATOM 0 HD2 TYR A 61 -1.083 -11.013 -9.463 1.00 60.10 H new ATOM 0 HE1 TYR A 61 -1.005 -10.895 -4.545 1.00 20.41 H new ATOM 0 HE2 TYR A 61 0.024 -9.158 -8.299 1.00 70.44 H new ATOM 0 HH TYR A 61 1.103 -8.753 -6.079 1.00 34.25 H new ATOM 974 N VAL A 62 -4.488 -14.022 -6.439 1.00 35.34 N ATOM 975 CA VAL A 62 -5.058 -14.057 -5.090 1.00 32.11 C ATOM 976 C VAL A 62 -3.989 -13.802 -4.016 1.00 2.40 C ATOM 977 O VAL A 62 -2.944 -14.463 -3.984 1.00 0.04 O ATOM 978 CB VAL A 62 -5.770 -15.405 -4.804 1.00 62.32 C ATOM 979 CG1 VAL A 62 -6.996 -15.561 -5.703 1.00 72.42 C ATOM 980 CG2 VAL A 62 -4.811 -16.587 -4.984 1.00 63.33 C ATOM 0 H VAL A 62 -4.025 -14.886 -6.722 1.00 35.34 H new ATOM 0 HA VAL A 62 -5.796 -13.256 -5.046 1.00 32.11 H new ATOM 0 HB VAL A 62 -6.100 -15.400 -3.765 1.00 62.32 H new ATOM 0 HG11 VAL A 62 -7.485 -16.512 -5.490 1.00 72.42 H new ATOM 0 HG12 VAL A 62 -7.693 -14.745 -5.513 1.00 72.42 H new ATOM 0 HG13 VAL A 62 -6.686 -15.538 -6.748 1.00 72.42 H new ATOM 0 HG21 VAL A 62 -5.338 -17.518 -4.777 1.00 63.33 H new ATOM 0 HG22 VAL A 62 -4.439 -16.601 -6.008 1.00 63.33 H new ATOM 0 HG23 VAL A 62 -3.973 -16.484 -4.295 1.00 63.33 H new ATOM 990 N LEU A 63 -4.251 -12.826 -3.155 1.00 75.13 N ATOM 991 CA LEU A 63 -3.378 -12.527 -2.025 1.00 62.00 C ATOM 992 C LEU A 63 -3.558 -13.609 -0.945 1.00 72.34 C ATOM 993 O LEU A 63 -4.657 -13.803 -0.421 1.00 45.42 O ATOM 994 CB LEU A 63 -3.705 -11.122 -1.473 1.00 54.34 C ATOM 995 CG LEU A 63 -2.549 -10.378 -0.770 1.00 5.24 C ATOM 996 CD1 LEU A 63 -2.106 -11.098 0.499 1.00 13.15 C ATOM 997 CD2 LEU A 63 -1.368 -10.195 -1.724 1.00 40.43 C ATOM 0 H LEU A 63 -5.070 -12.222 -3.219 1.00 75.13 H new ATOM 0 HA LEU A 63 -2.336 -12.529 -2.345 1.00 62.00 H new ATOM 0 HB2 LEU A 63 -4.058 -10.504 -2.298 1.00 54.34 H new ATOM 0 HB3 LEU A 63 -4.531 -11.215 -0.768 1.00 54.34 H new ATOM 0 HG LEU A 63 -2.919 -9.395 -0.479 1.00 5.24 H new ATOM 0 HD11 LEU A 63 -1.291 -10.545 0.966 1.00 13.15 H new ATOM 0 HD12 LEU A 63 -2.945 -11.163 1.192 1.00 13.15 H new ATOM 0 HD13 LEU A 63 -1.765 -12.102 0.247 1.00 13.15 H new ATOM 0 HD21 LEU A 63 -0.563 -9.669 -1.210 1.00 40.43 H new ATOM 0 HD22 LEU A 63 -1.011 -11.171 -2.053 1.00 40.43 H new ATOM 0 HD23 LEU A 63 -1.686 -9.615 -2.590 1.00 40.43 H new ATOM 1009 N LYS A 64 -2.476 -14.313 -0.627 1.00 4.21 N ATOM 1010 CA LYS A 64 -2.537 -15.481 0.260 1.00 14.53 C ATOM 1011 C LYS A 64 -3.020 -15.128 1.682 1.00 50.02 C ATOM 1012 O LYS A 64 -2.934 -13.976 2.123 1.00 32.34 O ATOM 1013 CB LYS A 64 -1.164 -16.162 0.323 1.00 15.23 C ATOM 1014 CG LYS A 64 -0.614 -16.564 -1.044 1.00 3.55 C ATOM 1015 CD LYS A 64 0.708 -17.324 -0.928 1.00 33.21 C ATOM 1016 CE LYS A 64 1.273 -17.687 -2.297 1.00 21.22 C ATOM 1017 NZ LYS A 64 0.311 -18.491 -3.099 1.00 50.42 N ATOM 0 H LYS A 64 -1.540 -14.097 -0.970 1.00 4.21 H new ATOM 0 HA LYS A 64 -3.272 -16.166 -0.163 1.00 14.53 H new ATOM 0 HB2 LYS A 64 -0.456 -15.488 0.806 1.00 15.23 H new ATOM 0 HB3 LYS A 64 -1.237 -17.050 0.951 1.00 15.23 H new ATOM 0 HG2 LYS A 64 -1.345 -17.185 -1.561 1.00 3.55 H new ATOM 0 HG3 LYS A 64 -0.467 -15.672 -1.653 1.00 3.55 H new ATOM 0 HD2 LYS A 64 1.431 -16.715 -0.386 1.00 33.21 H new ATOM 0 HD3 LYS A 64 0.555 -18.232 -0.345 1.00 33.21 H new ATOM 0 HE2 LYS A 64 1.525 -16.776 -2.839 1.00 21.22 H new ATOM 0 HE3 LYS A 64 2.199 -18.249 -2.170 1.00 21.22 H new ATOM 0 HZ1 LYS A 64 0.797 -18.888 -3.928 1.00 50.42 H new ATOM 0 HZ2 LYS A 64 -0.066 -19.265 -2.515 1.00 50.42 H new ATOM 0 HZ3 LYS A 64 -0.471 -17.883 -3.414 1.00 50.42 H new ATOM 1031 N ALA A 65 -3.515 -16.141 2.391 1.00 25.10 N ATOM 1032 CA ALA A 65 -4.036 -15.972 3.754 1.00 53.21 C ATOM 1033 C ALA A 65 -2.984 -15.374 4.703 1.00 74.43 C ATOM 1034 O ALA A 65 -1.965 -16.005 4.991 1.00 33.44 O ATOM 1035 CB ALA A 65 -4.523 -17.315 4.292 1.00 60.53 C ATOM 0 H ALA A 65 -3.568 -17.098 2.043 1.00 25.10 H new ATOM 0 HA ALA A 65 -4.869 -15.271 3.706 1.00 53.21 H new ATOM 0 HB1 ALA A 65 -4.908 -17.184 5.303 1.00 60.53 H new ATOM 0 HB2 ALA A 65 -5.315 -17.699 3.649 1.00 60.53 H new ATOM 0 HB3 ALA A 65 -3.694 -18.023 4.309 1.00 60.53 H new ATOM 1041 N GLY A 66 -3.240 -14.152 5.177 1.00 45.14 N ATOM 1042 CA GLY A 66 -2.326 -13.486 6.105 1.00 44.44 C ATOM 1043 C GLY A 66 -0.980 -13.104 5.487 1.00 33.22 C ATOM 1044 O GLY A 66 0.004 -12.906 6.205 1.00 44.00 O ATOM 0 H GLY A 66 -4.068 -13.607 4.935 1.00 45.14 H new ATOM 0 HA2 GLY A 66 -2.806 -12.586 6.489 1.00 44.44 H new ATOM 0 HA3 GLY A 66 -2.150 -14.141 6.958 1.00 44.44 H new ATOM 1048 N GLN A 67 -0.935 -12.997 4.160 1.00 43.24 N ATOM 1049 CA GLN A 67 0.304 -12.661 3.444 1.00 64.12 C ATOM 1050 C GLN A 67 0.514 -11.137 3.345 1.00 55.45 C ATOM 1051 O GLN A 67 -0.444 -10.363 3.302 1.00 55.32 O ATOM 1052 CB GLN A 67 0.273 -13.278 2.032 1.00 2.12 C ATOM 1053 CG GLN A 67 1.501 -12.974 1.171 1.00 20.44 C ATOM 1054 CD GLN A 67 2.695 -13.892 1.429 1.00 55.11 C ATOM 1055 OE1 GLN A 67 3.507 -14.124 0.540 1.00 43.54 O ATOM 1056 NE2 GLN A 67 2.812 -14.439 2.625 1.00 73.25 N ATOM 0 H GLN A 67 -1.743 -13.138 3.553 1.00 43.24 H new ATOM 0 HA GLN A 67 1.139 -13.074 4.010 1.00 64.12 H new ATOM 0 HB2 GLN A 67 0.171 -14.359 2.126 1.00 2.12 H new ATOM 0 HB3 GLN A 67 -0.615 -12.918 1.513 1.00 2.12 H new ATOM 0 HG2 GLN A 67 1.221 -13.049 0.120 1.00 20.44 H new ATOM 0 HG3 GLN A 67 1.807 -11.943 1.346 1.00 20.44 H new ATOM 0 HE21 GLN A 67 2.125 -14.232 3.350 1.00 73.25 H new ATOM 0 HE22 GLN A 67 3.590 -15.068 2.824 1.00 73.25 H new ATOM 1065 N THR A 68 1.779 -10.718 3.323 1.00 64.43 N ATOM 1066 CA THR A 68 2.138 -9.303 3.144 1.00 74.33 C ATOM 1067 C THR A 68 2.373 -8.963 1.664 1.00 14.43 C ATOM 1068 O THR A 68 2.894 -9.780 0.906 1.00 2.35 O ATOM 1069 CB THR A 68 3.425 -8.943 3.926 1.00 13.10 C ATOM 1070 OG1 THR A 68 4.528 -9.739 3.457 1.00 34.24 O ATOM 1071 CG2 THR A 68 3.241 -9.162 5.423 1.00 75.11 C ATOM 0 H THR A 68 2.581 -11.340 3.427 1.00 64.43 H new ATOM 0 HA THR A 68 1.297 -8.725 3.526 1.00 74.33 H new ATOM 0 HB THR A 68 3.635 -7.887 3.754 1.00 13.10 H new ATOM 0 HG1 THR A 68 5.337 -9.503 3.956 1.00 34.24 H new ATOM 0 HG21 THR A 68 4.162 -8.901 5.945 1.00 75.11 H new ATOM 0 HG22 THR A 68 2.427 -8.534 5.785 1.00 75.11 H new ATOM 0 HG23 THR A 68 3.002 -10.209 5.611 1.00 75.11 H new ATOM 1079 N VAL A 69 2.004 -7.748 1.269 1.00 24.43 N ATOM 1080 CA VAL A 69 2.253 -7.257 -0.092 1.00 31.12 C ATOM 1081 C VAL A 69 2.814 -5.824 -0.051 1.00 0.45 C ATOM 1082 O VAL A 69 2.199 -4.920 0.515 1.00 51.42 O ATOM 1083 CB VAL A 69 0.965 -7.304 -0.964 1.00 2.42 C ATOM 1084 CG1 VAL A 69 -0.179 -6.523 -0.313 1.00 23.14 C ATOM 1085 CG2 VAL A 69 1.246 -6.788 -2.380 1.00 62.13 C ATOM 0 H VAL A 69 1.528 -7.078 1.873 1.00 24.43 H new ATOM 0 HA VAL A 69 2.990 -7.916 -0.550 1.00 31.12 H new ATOM 0 HB VAL A 69 0.652 -8.346 -1.038 1.00 2.42 H new ATOM 0 HG11 VAL A 69 -1.063 -6.576 -0.948 1.00 23.14 H new ATOM 0 HG12 VAL A 69 -0.406 -6.955 0.662 1.00 23.14 H new ATOM 0 HG13 VAL A 69 0.116 -5.481 -0.189 1.00 23.14 H new ATOM 0 HG21 VAL A 69 0.331 -6.830 -2.971 1.00 62.13 H new ATOM 0 HG22 VAL A 69 1.597 -5.757 -2.329 1.00 62.13 H new ATOM 0 HG23 VAL A 69 2.010 -7.409 -2.849 1.00 62.13 H new ATOM 1095 N THR A 70 3.996 -5.623 -0.630 1.00 33.33 N ATOM 1096 CA THR A 70 4.661 -4.313 -0.576 1.00 44.24 C ATOM 1097 C THR A 70 4.531 -3.544 -1.899 1.00 34.01 C ATOM 1098 O THR A 70 4.668 -4.110 -2.982 1.00 13.21 O ATOM 1099 CB THR A 70 6.163 -4.459 -0.232 1.00 31.12 C ATOM 1100 OG1 THR A 70 6.328 -5.276 0.938 1.00 74.42 O ATOM 1101 CG2 THR A 70 6.809 -3.101 0.007 1.00 74.14 C ATOM 0 H THR A 70 4.513 -6.340 -1.139 1.00 33.33 H new ATOM 0 HA THR A 70 4.157 -3.750 0.210 1.00 44.24 H new ATOM 0 HB THR A 70 6.653 -4.933 -1.083 1.00 31.12 H new ATOM 0 HG1 THR A 70 7.282 -5.363 1.145 1.00 74.42 H new ATOM 0 HG21 THR A 70 7.864 -3.237 0.246 1.00 74.14 H new ATOM 0 HG22 THR A 70 6.717 -2.491 -0.892 1.00 74.14 H new ATOM 0 HG23 THR A 70 6.310 -2.602 0.837 1.00 74.14 H new ATOM 1109 N ILE A 71 4.254 -2.249 -1.800 1.00 22.11 N ATOM 1110 CA ILE A 71 4.203 -1.368 -2.968 1.00 62.32 C ATOM 1111 C ILE A 71 5.547 -0.649 -3.168 1.00 23.33 C ATOM 1112 O ILE A 71 5.916 0.223 -2.380 1.00 15.40 O ATOM 1113 CB ILE A 71 3.079 -0.306 -2.825 1.00 62.31 C ATOM 1114 CG1 ILE A 71 1.726 -0.983 -2.542 1.00 63.04 C ATOM 1115 CG2 ILE A 71 2.995 0.567 -4.078 1.00 54.43 C ATOM 1116 CD1 ILE A 71 1.257 -1.913 -3.643 1.00 40.21 C ATOM 0 H ILE A 71 4.059 -1.780 -0.916 1.00 22.11 H new ATOM 0 HA ILE A 71 3.992 -1.995 -3.834 1.00 62.32 H new ATOM 0 HB ILE A 71 3.323 0.337 -1.979 1.00 62.31 H new ATOM 0 HG12 ILE A 71 1.802 -1.547 -1.612 1.00 63.04 H new ATOM 0 HG13 ILE A 71 0.972 -0.212 -2.387 1.00 63.04 H new ATOM 0 HG21 ILE A 71 2.201 1.304 -3.956 1.00 54.43 H new ATOM 0 HG22 ILE A 71 3.945 1.079 -4.229 1.00 54.43 H new ATOM 0 HG23 ILE A 71 2.779 -0.059 -4.944 1.00 54.43 H new ATOM 0 HD11 ILE A 71 0.297 -2.349 -3.366 1.00 40.21 H new ATOM 0 HD12 ILE A 71 1.147 -1.352 -4.571 1.00 40.21 H new ATOM 0 HD13 ILE A 71 1.989 -2.708 -3.785 1.00 40.21 H new ATOM 1128 N TRP A 72 6.284 -1.034 -4.207 1.00 23.23 N ATOM 1129 CA TRP A 72 7.566 -0.394 -4.535 1.00 33.20 C ATOM 1130 C TRP A 72 7.378 0.665 -5.628 1.00 44.41 C ATOM 1131 O TRP A 72 6.677 0.431 -6.611 1.00 34.41 O ATOM 1132 CB TRP A 72 8.588 -1.442 -5.004 1.00 65.13 C ATOM 1133 CG TRP A 72 8.949 -2.454 -3.953 1.00 13.12 C ATOM 1134 CD1 TRP A 72 8.190 -3.507 -3.538 1.00 62.53 C ATOM 1135 CD2 TRP A 72 10.164 -2.513 -3.195 1.00 24.50 C ATOM 1136 NE1 TRP A 72 8.856 -4.218 -2.567 1.00 31.04 N ATOM 1137 CE2 TRP A 72 10.069 -3.627 -2.339 1.00 14.01 C ATOM 1138 CE3 TRP A 72 11.323 -1.733 -3.158 1.00 21.33 C ATOM 1139 CZ2 TRP A 72 11.089 -3.979 -1.457 1.00 71.12 C ATOM 1140 CZ3 TRP A 72 12.334 -2.084 -2.281 1.00 3.01 C ATOM 1141 CH2 TRP A 72 12.212 -3.198 -1.442 1.00 43.32 C ATOM 0 H TRP A 72 6.019 -1.788 -4.841 1.00 23.23 H new ATOM 0 HA TRP A 72 7.940 0.090 -3.633 1.00 33.20 H new ATOM 0 HB2 TRP A 72 8.187 -1.963 -5.873 1.00 65.13 H new ATOM 0 HB3 TRP A 72 9.494 -0.931 -5.329 1.00 65.13 H new ATOM 0 HD1 TRP A 72 7.208 -3.748 -3.917 1.00 62.53 H new ATOM 0 HE1 TRP A 72 8.503 -5.050 -2.094 1.00 31.04 H new ATOM 0 HE3 TRP A 72 11.428 -0.872 -3.802 1.00 21.33 H new ATOM 0 HZ2 TRP A 72 10.996 -4.838 -0.809 1.00 71.12 H new ATOM 0 HZ3 TRP A 72 13.234 -1.488 -2.243 1.00 3.01 H new ATOM 0 HH2 TRP A 72 13.020 -3.446 -0.770 1.00 43.32 H new ATOM 1152 N ALA A 73 8.006 1.826 -5.455 1.00 23.34 N ATOM 1153 CA ALA A 73 7.903 2.911 -6.437 1.00 35.24 C ATOM 1154 C ALA A 73 8.477 2.506 -7.812 1.00 52.32 C ATOM 1155 O ALA A 73 9.297 1.591 -7.907 1.00 11.42 O ATOM 1156 CB ALA A 73 8.606 4.156 -5.911 1.00 64.14 C ATOM 0 H ALA A 73 8.591 2.042 -4.648 1.00 23.34 H new ATOM 0 HA ALA A 73 6.845 3.127 -6.582 1.00 35.24 H new ATOM 0 HB1 ALA A 73 8.525 4.957 -6.646 1.00 64.14 H new ATOM 0 HB2 ALA A 73 8.139 4.471 -4.978 1.00 64.14 H new ATOM 0 HB3 ALA A 73 9.658 3.932 -5.733 1.00 64.14 H new ATOM 1162 N ALA A 74 8.046 3.204 -8.870 1.00 33.35 N ATOM 1163 CA ALA A 74 8.478 2.900 -10.249 1.00 3.31 C ATOM 1164 C ALA A 74 9.999 2.710 -10.363 1.00 34.35 C ATOM 1165 O ALA A 74 10.473 1.778 -11.018 1.00 73.02 O ATOM 1166 CB ALA A 74 8.017 4.001 -11.198 1.00 22.31 C ATOM 0 H ALA A 74 7.396 3.987 -8.802 1.00 33.35 H new ATOM 0 HA ALA A 74 8.014 1.954 -10.528 1.00 3.31 H new ATOM 0 HB1 ALA A 74 8.341 3.767 -12.212 1.00 22.31 H new ATOM 0 HB2 ALA A 74 6.930 4.072 -11.172 1.00 22.31 H new ATOM 0 HB3 ALA A 74 8.450 4.952 -10.889 1.00 22.31 H new ATOM 1172 N ASN A 75 10.760 3.600 -9.735 1.00 60.12 N ATOM 1173 CA ASN A 75 12.225 3.516 -9.760 1.00 51.33 C ATOM 1174 C ASN A 75 12.770 2.798 -8.514 1.00 73.42 C ATOM 1175 O ASN A 75 13.299 3.427 -7.596 1.00 23.44 O ATOM 1176 CB ASN A 75 12.845 4.913 -9.891 1.00 24.13 C ATOM 1177 CG ASN A 75 12.436 5.608 -11.177 1.00 42.04 C ATOM 1178 OD1 ASN A 75 11.323 5.446 -11.661 1.00 12.04 O ATOM 1179 ND2 ASN A 75 13.333 6.381 -11.745 1.00 21.44 N ATOM 0 H ASN A 75 10.392 4.388 -9.202 1.00 60.12 H new ATOM 0 HA ASN A 75 12.507 2.927 -10.633 1.00 51.33 H new ATOM 0 HB2 ASN A 75 12.543 5.523 -9.040 1.00 24.13 H new ATOM 0 HB3 ASN A 75 13.931 4.831 -9.855 1.00 24.13 H new ATOM 0 HD21 ASN A 75 13.111 6.867 -12.614 1.00 21.44 H new ATOM 0 HD22 ASN A 75 14.252 6.496 -11.317 1.00 21.44 H new ATOM 1186 N ALA A 76 12.612 1.478 -8.484 1.00 60.51 N ATOM 1187 CA ALA A 76 13.125 0.651 -7.387 1.00 72.33 C ATOM 1188 C ALA A 76 14.059 -0.454 -7.913 1.00 60.43 C ATOM 1189 O ALA A 76 14.550 -1.286 -7.147 1.00 11.32 O ATOM 1190 CB ALA A 76 11.963 0.045 -6.603 1.00 33.24 C ATOM 0 H ALA A 76 12.129 0.951 -9.212 1.00 60.51 H new ATOM 0 HA ALA A 76 13.708 1.287 -6.721 1.00 72.33 H new ATOM 0 HB1 ALA A 76 12.353 -0.568 -5.790 1.00 33.24 H new ATOM 0 HB2 ALA A 76 11.346 0.844 -6.192 1.00 33.24 H new ATOM 0 HB3 ALA A 76 11.360 -0.574 -7.267 1.00 33.24 H new ATOM 1196 N GLY A 77 14.302 -0.448 -9.225 1.00 74.44 N ATOM 1197 CA GLY A 77 15.168 -1.449 -9.850 1.00 1.23 C ATOM 1198 C GLY A 77 14.608 -2.869 -9.787 1.00 43.44 C ATOM 1199 O GLY A 77 15.339 -3.842 -9.992 1.00 20.54 O ATOM 0 H GLY A 77 13.913 0.237 -9.873 1.00 74.44 H new ATOM 0 HA2 GLY A 77 15.329 -1.177 -10.893 1.00 1.23 H new ATOM 0 HA3 GLY A 77 16.142 -1.430 -9.362 1.00 1.23 H new ATOM 1203 N VAL A 78 13.309 -2.989 -9.522 1.00 12.22 N ATOM 1204 CA VAL A 78 12.662 -4.300 -9.355 1.00 73.10 C ATOM 1205 C VAL A 78 12.093 -4.845 -10.680 1.00 30.42 C ATOM 1206 O VAL A 78 12.061 -4.145 -11.698 1.00 52.01 O ATOM 1207 CB VAL A 78 11.533 -4.233 -8.293 1.00 72.31 C ATOM 1208 CG1 VAL A 78 12.102 -3.867 -6.920 1.00 54.11 C ATOM 1209 CG2 VAL A 78 10.451 -3.238 -8.713 1.00 15.31 C ATOM 0 H VAL A 78 12.677 -2.195 -9.417 1.00 12.22 H new ATOM 0 HA VAL A 78 13.438 -4.986 -9.014 1.00 73.10 H new ATOM 0 HB VAL A 78 11.076 -5.220 -8.220 1.00 72.31 H new ATOM 0 HG11 VAL A 78 11.293 -3.825 -6.190 1.00 54.11 H new ATOM 0 HG12 VAL A 78 12.828 -4.620 -6.614 1.00 54.11 H new ATOM 0 HG13 VAL A 78 12.590 -2.894 -6.976 1.00 54.11 H new ATOM 0 HG21 VAL A 78 9.670 -3.208 -7.953 1.00 15.31 H new ATOM 0 HG22 VAL A 78 10.891 -2.246 -8.821 1.00 15.31 H new ATOM 0 HG23 VAL A 78 10.020 -3.549 -9.664 1.00 15.31 H new ATOM 1219 N THR A 79 11.648 -6.101 -10.652 1.00 62.02 N ATOM 1220 CA THR A 79 11.121 -6.778 -11.848 1.00 21.31 C ATOM 1221 C THR A 79 9.653 -6.421 -12.117 1.00 11.22 C ATOM 1222 O THR A 79 8.955 -5.895 -11.246 1.00 31.20 O ATOM 1223 CB THR A 79 11.239 -8.315 -11.719 1.00 33.33 C ATOM 1224 OG1 THR A 79 10.467 -8.777 -10.599 1.00 42.00 O ATOM 1225 CG2 THR A 79 12.693 -8.749 -11.546 1.00 45.13 C ATOM 0 H THR A 79 11.640 -6.678 -9.811 1.00 62.02 H new ATOM 0 HA THR A 79 11.727 -6.429 -12.684 1.00 21.31 H new ATOM 0 HB THR A 79 10.854 -8.756 -12.639 1.00 33.33 H new ATOM 0 HG1 THR A 79 10.546 -9.751 -10.526 1.00 42.00 H new ATOM 0 HG21 THR A 79 12.741 -9.834 -11.458 1.00 45.13 H new ATOM 0 HG22 THR A 79 13.274 -8.429 -12.411 1.00 45.13 H new ATOM 0 HG23 THR A 79 13.104 -8.294 -10.645 1.00 45.13 H new ATOM 1233 N ALA A 80 9.185 -6.716 -13.329 1.00 63.24 N ATOM 1234 CA ALA A 80 7.806 -6.414 -13.722 1.00 15.52 C ATOM 1235 C ALA A 80 6.817 -7.457 -13.175 1.00 51.44 C ATOM 1236 O ALA A 80 6.546 -8.471 -13.822 1.00 22.25 O ATOM 1237 CB ALA A 80 7.699 -6.315 -15.242 1.00 63.42 C ATOM 0 H ALA A 80 9.740 -7.164 -14.058 1.00 63.24 H new ATOM 0 HA ALA A 80 7.538 -5.452 -13.286 1.00 15.52 H new ATOM 0 HB1 ALA A 80 6.669 -6.090 -15.520 1.00 63.42 H new ATOM 0 HB2 ALA A 80 8.354 -5.521 -15.602 1.00 63.42 H new ATOM 0 HB3 ALA A 80 7.997 -7.263 -15.690 1.00 63.42 H new ATOM 1243 N SER A 81 6.300 -7.201 -11.968 1.00 20.34 N ATOM 1244 CA SER A 81 5.338 -8.103 -11.308 1.00 1.11 C ATOM 1245 C SER A 81 5.941 -9.504 -11.091 1.00 5.01 C ATOM 1246 O SER A 81 5.699 -10.423 -11.879 1.00 1.33 O ATOM 1247 CB SER A 81 4.037 -8.198 -12.124 1.00 33.52 C ATOM 1248 OG SER A 81 3.056 -8.992 -11.472 1.00 45.12 O ATOM 0 H SER A 81 6.531 -6.371 -11.422 1.00 20.34 H new ATOM 0 HA SER A 81 5.106 -7.683 -10.329 1.00 1.11 H new ATOM 0 HB2 SER A 81 3.640 -7.197 -12.291 1.00 33.52 H new ATOM 0 HB3 SER A 81 4.254 -8.623 -13.104 1.00 33.52 H new ATOM 0 HG SER A 81 2.327 -8.418 -11.157 1.00 45.12 H new ATOM 1254 N PRO A 82 6.750 -9.677 -10.016 1.00 62.22 N ATOM 1255 CA PRO A 82 7.492 -10.930 -9.753 1.00 23.02 C ATOM 1256 C PRO A 82 6.672 -12.240 -9.931 1.00 60.44 C ATOM 1257 O PRO A 82 7.120 -13.133 -10.652 1.00 64.33 O ATOM 1258 CB PRO A 82 7.983 -10.751 -8.311 1.00 51.14 C ATOM 1259 CG PRO A 82 8.123 -9.271 -8.147 1.00 34.32 C ATOM 1260 CD PRO A 82 7.029 -8.650 -8.985 1.00 65.13 C ATOM 0 HA PRO A 82 8.290 -11.067 -10.483 1.00 23.02 H new ATOM 0 HB2 PRO A 82 7.273 -11.165 -7.595 1.00 51.14 H new ATOM 0 HB3 PRO A 82 8.933 -11.260 -8.148 1.00 51.14 H new ATOM 0 HG2 PRO A 82 8.022 -8.984 -7.100 1.00 34.32 H new ATOM 0 HG3 PRO A 82 9.106 -8.934 -8.477 1.00 34.32 H new ATOM 0 HD2 PRO A 82 6.143 -8.431 -8.389 1.00 65.13 H new ATOM 0 HD3 PRO A 82 7.352 -7.710 -9.433 1.00 65.13 H new ATOM 1268 N PRO A 83 5.467 -12.403 -9.316 1.00 54.32 N ATOM 1269 CA PRO A 83 4.822 -11.442 -8.420 1.00 10.42 C ATOM 1270 C PRO A 83 4.988 -11.773 -6.916 1.00 70.51 C ATOM 1271 O PRO A 83 5.086 -12.933 -6.516 1.00 2.13 O ATOM 1272 CB PRO A 83 3.360 -11.585 -8.840 1.00 20.34 C ATOM 1273 CG PRO A 83 3.205 -13.041 -9.175 1.00 23.34 C ATOM 1274 CD PRO A 83 4.592 -13.572 -9.503 1.00 51.51 C ATOM 0 HA PRO A 83 5.246 -10.442 -8.507 1.00 10.42 H new ATOM 0 HB2 PRO A 83 2.686 -11.289 -8.037 1.00 20.34 H new ATOM 0 HB3 PRO A 83 3.130 -10.954 -9.698 1.00 20.34 H new ATOM 0 HG2 PRO A 83 2.772 -13.586 -8.336 1.00 23.34 H new ATOM 0 HG3 PRO A 83 2.532 -13.172 -10.022 1.00 23.34 H new ATOM 0 HD2 PRO A 83 4.873 -14.392 -8.843 1.00 51.51 H new ATOM 0 HD3 PRO A 83 4.644 -13.952 -10.523 1.00 51.51 H new ATOM 1282 N THR A 84 5.016 -10.722 -6.104 1.00 31.21 N ATOM 1283 CA THR A 84 5.058 -10.825 -4.632 1.00 25.13 C ATOM 1284 C THR A 84 4.856 -9.437 -4.034 1.00 10.14 C ATOM 1285 O THR A 84 4.193 -9.268 -3.013 1.00 24.54 O ATOM 1286 CB THR A 84 6.388 -11.428 -4.090 1.00 13.33 C ATOM 1287 OG1 THR A 84 6.410 -11.392 -2.646 1.00 20.35 O ATOM 1288 CG2 THR A 84 7.607 -10.686 -4.633 1.00 21.23 C ATOM 0 H THR A 84 5.010 -9.760 -6.443 1.00 31.21 H new ATOM 0 HA THR A 84 4.261 -11.507 -4.336 1.00 25.13 H new ATOM 0 HB THR A 84 6.434 -12.462 -4.431 1.00 13.33 H new ATOM 0 HG1 THR A 84 7.251 -11.776 -2.322 1.00 20.35 H new ATOM 0 HG21 THR A 84 8.515 -11.136 -4.232 1.00 21.23 H new ATOM 0 HG22 THR A 84 7.619 -10.753 -5.721 1.00 21.23 H new ATOM 0 HG23 THR A 84 7.559 -9.639 -4.334 1.00 21.23 H new ATOM 1296 N ASP A 85 5.447 -8.452 -4.699 1.00 32.31 N ATOM 1297 CA ASP A 85 5.222 -7.043 -4.400 1.00 63.20 C ATOM 1298 C ASP A 85 4.723 -6.327 -5.668 1.00 53.25 C ATOM 1299 O ASP A 85 4.961 -6.800 -6.783 1.00 72.44 O ATOM 1300 CB ASP A 85 6.525 -6.414 -3.904 1.00 2.22 C ATOM 1301 CG ASP A 85 7.115 -7.171 -2.726 1.00 0.54 C ATOM 1302 OD1 ASP A 85 6.498 -7.166 -1.641 1.00 34.44 O ATOM 1303 OD2 ASP A 85 8.196 -7.778 -2.880 1.00 54.11 O ATOM 0 H ASP A 85 6.100 -8.609 -5.466 1.00 32.31 H new ATOM 0 HA ASP A 85 4.467 -6.943 -3.620 1.00 63.20 H new ATOM 0 HB2 ASP A 85 7.249 -6.391 -4.719 1.00 2.22 H new ATOM 0 HB3 ASP A 85 6.340 -5.380 -3.613 1.00 2.22 H new ATOM 1308 N LEU A 86 4.029 -5.202 -5.511 1.00 1.24 N ATOM 1309 CA LEU A 86 3.453 -4.489 -6.660 1.00 20.24 C ATOM 1310 C LEU A 86 4.252 -3.225 -7.011 1.00 74.34 C ATOM 1311 O LEU A 86 4.727 -2.508 -6.128 1.00 74.40 O ATOM 1312 CB LEU A 86 1.986 -4.130 -6.385 1.00 54.32 C ATOM 1313 CG LEU A 86 1.040 -5.332 -6.212 1.00 4.41 C ATOM 1314 CD1 LEU A 86 -0.381 -4.867 -5.907 1.00 73.42 C ATOM 1315 CD2 LEU A 86 1.064 -6.223 -7.454 1.00 44.25 C ATOM 0 H LEU A 86 3.850 -4.763 -4.608 1.00 1.24 H new ATOM 0 HA LEU A 86 3.504 -5.159 -7.518 1.00 20.24 H new ATOM 0 HB2 LEU A 86 1.941 -3.519 -5.483 1.00 54.32 H new ATOM 0 HB3 LEU A 86 1.619 -3.514 -7.206 1.00 54.32 H new ATOM 0 HG LEU A 86 1.392 -5.920 -5.364 1.00 4.41 H new ATOM 0 HD11 LEU A 86 -1.030 -5.735 -5.789 1.00 73.42 H new ATOM 0 HD12 LEU A 86 -0.383 -4.284 -4.986 1.00 73.42 H new ATOM 0 HD13 LEU A 86 -0.746 -4.250 -6.728 1.00 73.42 H new ATOM 0 HD21 LEU A 86 0.388 -7.066 -7.310 1.00 44.25 H new ATOM 0 HD22 LEU A 86 0.744 -5.646 -8.322 1.00 44.25 H new ATOM 0 HD23 LEU A 86 2.076 -6.593 -7.617 1.00 44.25 H new ATOM 1327 N ILE A 87 4.390 -2.960 -8.311 1.00 74.43 N ATOM 1328 CA ILE A 87 5.163 -1.813 -8.800 1.00 14.51 C ATOM 1329 C ILE A 87 4.254 -0.597 -9.068 1.00 24.32 C ATOM 1330 O ILE A 87 3.313 -0.662 -9.867 1.00 75.11 O ATOM 1331 CB ILE A 87 5.951 -2.157 -10.099 1.00 12.43 C ATOM 1332 CG1 ILE A 87 6.993 -3.271 -9.852 1.00 1.22 C ATOM 1333 CG2 ILE A 87 6.639 -0.910 -10.660 1.00 15.03 C ATOM 1334 CD1 ILE A 87 6.404 -4.644 -9.587 1.00 35.32 C ATOM 0 H ILE A 87 3.974 -3.527 -9.050 1.00 74.43 H new ATOM 0 HA ILE A 87 5.875 -1.564 -8.013 1.00 14.51 H new ATOM 0 HB ILE A 87 5.231 -2.524 -10.830 1.00 12.43 H new ATOM 0 HG12 ILE A 87 7.650 -3.334 -10.720 1.00 1.22 H new ATOM 0 HG13 ILE A 87 7.614 -2.987 -9.002 1.00 1.22 H new ATOM 0 HG21 ILE A 87 7.184 -1.172 -11.567 1.00 15.03 H new ATOM 0 HG22 ILE A 87 5.889 -0.154 -10.893 1.00 15.03 H new ATOM 0 HG23 ILE A 87 7.335 -0.515 -9.920 1.00 15.03 H new ATOM 0 HD11 ILE A 87 7.209 -5.360 -9.425 1.00 35.32 H new ATOM 0 HD12 ILE A 87 5.771 -4.603 -8.701 1.00 35.32 H new ATOM 0 HD13 ILE A 87 5.808 -4.956 -10.445 1.00 35.32 H new ATOM 1346 N TRP A 88 4.551 0.508 -8.398 1.00 73.24 N ATOM 1347 CA TRP A 88 3.790 1.751 -8.541 1.00 73.51 C ATOM 1348 C TRP A 88 4.380 2.616 -9.667 1.00 2.01 C ATOM 1349 O TRP A 88 5.189 3.508 -9.420 1.00 52.43 O ATOM 1350 CB TRP A 88 3.811 2.513 -7.205 1.00 1.05 C ATOM 1351 CG TRP A 88 2.833 3.650 -7.099 1.00 64.04 C ATOM 1352 CD1 TRP A 88 2.100 4.218 -8.101 1.00 11.30 C ATOM 1353 CD2 TRP A 88 2.489 4.358 -5.905 1.00 5.22 C ATOM 1354 NE1 TRP A 88 1.315 5.226 -7.598 1.00 31.41 N ATOM 1355 CE2 TRP A 88 1.538 5.331 -6.254 1.00 12.41 C ATOM 1356 CE3 TRP A 88 2.893 4.256 -4.570 1.00 50.30 C ATOM 1357 CZ2 TRP A 88 0.983 6.198 -5.319 1.00 34.04 C ATOM 1358 CZ3 TRP A 88 2.343 5.118 -3.642 1.00 62.51 C ATOM 1359 CH2 TRP A 88 1.396 6.078 -4.021 1.00 64.43 C ATOM 0 H TRP A 88 5.326 0.572 -7.738 1.00 73.24 H new ATOM 0 HA TRP A 88 2.759 1.516 -8.804 1.00 73.51 H new ATOM 0 HB2 TRP A 88 3.611 1.807 -6.399 1.00 1.05 H new ATOM 0 HB3 TRP A 88 4.816 2.903 -7.044 1.00 1.05 H new ATOM 0 HD1 TRP A 88 2.133 3.918 -9.138 1.00 11.30 H new ATOM 0 HE1 TRP A 88 0.671 5.802 -8.139 1.00 31.41 H new ATOM 0 HE3 TRP A 88 3.621 3.517 -4.271 1.00 50.30 H new ATOM 0 HZ2 TRP A 88 0.252 6.939 -5.608 1.00 34.04 H new ATOM 0 HZ3 TRP A 88 2.648 5.051 -2.608 1.00 62.51 H new ATOM 0 HH2 TRP A 88 0.983 6.738 -3.272 1.00 64.43 H new ATOM 1370 N LYS A 89 3.983 2.341 -10.909 1.00 23.43 N ATOM 1371 CA LYS A 89 4.523 3.069 -12.066 1.00 30.33 C ATOM 1372 C LYS A 89 3.948 4.493 -12.177 1.00 73.44 C ATOM 1373 O LYS A 89 4.499 5.335 -12.885 1.00 42.32 O ATOM 1374 CB LYS A 89 4.259 2.299 -13.367 1.00 64.33 C ATOM 1375 CG LYS A 89 4.895 0.911 -13.404 1.00 62.40 C ATOM 1376 CD LYS A 89 4.850 0.298 -14.804 1.00 31.22 C ATOM 1377 CE LYS A 89 3.424 0.138 -15.324 1.00 14.20 C ATOM 1378 NZ LYS A 89 3.396 -0.341 -16.732 1.00 63.04 N ATOM 0 H LYS A 89 3.295 1.626 -11.143 1.00 23.43 H new ATOM 0 HA LYS A 89 5.598 3.154 -11.910 1.00 30.33 H new ATOM 0 HB2 LYS A 89 3.183 2.199 -13.506 1.00 64.33 H new ATOM 0 HB3 LYS A 89 4.636 2.883 -14.206 1.00 64.33 H new ATOM 0 HG2 LYS A 89 5.931 0.978 -13.070 1.00 62.40 H new ATOM 0 HG3 LYS A 89 4.376 0.256 -12.704 1.00 62.40 H new ATOM 0 HD2 LYS A 89 5.416 0.927 -15.491 1.00 31.22 H new ATOM 0 HD3 LYS A 89 5.339 -0.676 -14.787 1.00 31.22 H new ATOM 0 HE2 LYS A 89 2.884 -0.566 -14.691 1.00 14.20 H new ATOM 0 HE3 LYS A 89 2.904 1.093 -15.255 1.00 14.20 H new ATOM 0 HZ1 LYS A 89 2.409 -0.436 -17.047 1.00 63.04 H new ATOM 0 HZ2 LYS A 89 3.889 0.343 -17.341 1.00 63.04 H new ATOM 0 HZ3 LYS A 89 3.870 -1.265 -16.794 1.00 63.04 H new ATOM 1392 N ASN A 90 2.846 4.754 -11.475 1.00 55.23 N ATOM 1393 CA ASN A 90 2.191 6.074 -11.503 1.00 42.04 C ATOM 1394 C ASN A 90 3.084 7.162 -10.874 1.00 24.41 C ATOM 1395 O ASN A 90 2.842 8.358 -11.052 1.00 55.21 O ATOM 1396 CB ASN A 90 0.847 6.026 -10.757 1.00 33.14 C ATOM 1397 CG ASN A 90 -0.027 4.855 -11.172 1.00 52.42 C ATOM 1398 OD1 ASN A 90 0.462 3.791 -11.533 1.00 71.42 O ATOM 1399 ND2 ASN A 90 -1.327 5.035 -11.111 1.00 70.05 N ATOM 0 H ASN A 90 2.382 4.071 -10.876 1.00 55.23 H new ATOM 0 HA ASN A 90 2.019 6.328 -12.549 1.00 42.04 H new ATOM 0 HB2 ASN A 90 1.036 5.968 -9.685 1.00 33.14 H new ATOM 0 HB3 ASN A 90 0.306 6.956 -10.936 1.00 33.14 H new ATOM 0 HD21 ASN A 90 -1.959 4.277 -11.368 1.00 70.05 H new ATOM 0 HD22 ASN A 90 -1.704 5.933 -10.806 1.00 70.05 H new ATOM 1406 N GLN A 91 4.107 6.739 -10.131 1.00 20.31 N ATOM 1407 CA GLN A 91 5.018 7.668 -9.458 1.00 35.30 C ATOM 1408 C GLN A 91 6.433 7.077 -9.353 1.00 64.02 C ATOM 1409 O GLN A 91 6.598 5.890 -9.068 1.00 51.34 O ATOM 1410 CB GLN A 91 4.490 7.993 -8.056 1.00 72.22 C ATOM 1411 CG GLN A 91 5.331 9.017 -7.296 1.00 31.45 C ATOM 1412 CD GLN A 91 4.917 9.163 -5.840 1.00 31.53 C ATOM 1413 OE1 GLN A 91 5.021 10.236 -5.255 1.00 50.11 O ATOM 1414 NE2 GLN A 91 4.467 8.079 -5.235 1.00 30.21 N ATOM 0 H GLN A 91 4.327 5.755 -9.979 1.00 20.31 H new ATOM 0 HA GLN A 91 5.070 8.581 -10.051 1.00 35.30 H new ATOM 0 HB2 GLN A 91 3.470 8.368 -8.141 1.00 72.22 H new ATOM 0 HB3 GLN A 91 4.444 7.072 -7.474 1.00 72.22 H new ATOM 0 HG2 GLN A 91 6.380 8.724 -7.342 1.00 31.45 H new ATOM 0 HG3 GLN A 91 5.249 9.985 -7.790 1.00 31.45 H new ATOM 0 HE21 GLN A 91 4.392 7.202 -5.750 1.00 30.21 H new ATOM 0 HE22 GLN A 91 4.194 8.119 -4.253 1.00 30.21 H new ATOM 1423 N ASN A 92 7.450 7.905 -9.581 1.00 73.45 N ATOM 1424 CA ASN A 92 8.844 7.472 -9.431 1.00 71.34 C ATOM 1425 C ASN A 92 9.220 7.306 -7.946 1.00 23.42 C ATOM 1426 O ASN A 92 8.385 7.475 -7.057 1.00 2.53 O ATOM 1427 CB ASN A 92 9.792 8.468 -10.109 1.00 51.22 C ATOM 1428 CG ASN A 92 9.438 8.703 -11.568 1.00 33.01 C ATOM 1429 OD1 ASN A 92 8.726 9.642 -11.904 1.00 21.41 O ATOM 1430 ND2 ASN A 92 9.925 7.853 -12.450 1.00 40.32 N ATOM 0 H ASN A 92 7.339 8.877 -9.870 1.00 73.45 H new ATOM 0 HA ASN A 92 8.946 6.502 -9.917 1.00 71.34 H new ATOM 0 HB2 ASN A 92 9.762 9.417 -9.573 1.00 51.22 H new ATOM 0 HB3 ASN A 92 10.814 8.096 -10.041 1.00 51.22 H new ATOM 0 HD21 ASN A 92 9.712 7.968 -13.441 1.00 40.32 H new ATOM 0 HD22 ASN A 92 10.515 7.080 -12.142 1.00 40.32 H new ATOM 1437 N SER A 93 10.482 6.971 -7.681 1.00 41.21 N ATOM 1438 CA SER A 93 10.951 6.748 -6.302 1.00 73.15 C ATOM 1439 C SER A 93 11.187 8.073 -5.568 1.00 12.32 C ATOM 1440 O SER A 93 11.661 9.042 -6.164 1.00 51.15 O ATOM 1441 CB SER A 93 12.242 5.924 -6.307 1.00 31.53 C ATOM 1442 OG SER A 93 12.700 5.666 -4.992 1.00 62.20 O ATOM 0 H SER A 93 11.200 6.847 -8.395 1.00 41.21 H new ATOM 0 HA SER A 93 10.172 6.199 -5.773 1.00 73.15 H new ATOM 0 HB2 SER A 93 12.070 4.980 -6.825 1.00 31.53 H new ATOM 0 HB3 SER A 93 13.013 6.457 -6.863 1.00 31.53 H new ATOM 0 HG SER A 93 13.524 5.137 -5.031 1.00 62.20 H new ATOM 1448 N TRP A 94 10.868 8.110 -4.276 1.00 64.31 N ATOM 1449 CA TRP A 94 11.031 9.328 -3.474 1.00 72.51 C ATOM 1450 C TRP A 94 11.877 9.060 -2.222 1.00 52.04 C ATOM 1451 O TRP A 94 11.991 7.923 -1.767 1.00 22.31 O ATOM 1452 CB TRP A 94 9.660 9.902 -3.076 1.00 23.51 C ATOM 1453 CG TRP A 94 8.882 9.040 -2.114 1.00 33.22 C ATOM 1454 CD1 TRP A 94 8.903 9.113 -0.747 1.00 64.21 C ATOM 1455 CD2 TRP A 94 7.961 7.992 -2.442 1.00 15.44 C ATOM 1456 NE1 TRP A 94 8.053 8.179 -0.210 1.00 71.25 N ATOM 1457 CE2 TRP A 94 7.468 7.474 -1.229 1.00 34.52 C ATOM 1458 CE3 TRP A 94 7.508 7.438 -3.643 1.00 61.40 C ATOM 1459 CZ2 TRP A 94 6.545 6.433 -1.184 1.00 14.32 C ATOM 1460 CZ3 TRP A 94 6.594 6.405 -3.597 1.00 73.14 C ATOM 1461 CH2 TRP A 94 6.119 5.912 -2.375 1.00 4.13 C ATOM 0 H TRP A 94 10.495 7.313 -3.759 1.00 64.31 H new ATOM 0 HA TRP A 94 11.555 10.062 -4.087 1.00 72.51 H new ATOM 0 HB2 TRP A 94 9.807 10.885 -2.628 1.00 23.51 H new ATOM 0 HB3 TRP A 94 9.065 10.048 -3.977 1.00 23.51 H new ATOM 0 HD1 TRP A 94 9.502 9.805 -0.174 1.00 64.21 H new ATOM 0 HE1 TRP A 94 7.884 8.033 0.785 1.00 71.25 H new ATOM 0 HE3 TRP A 94 7.867 7.812 -4.590 1.00 61.40 H new ATOM 0 HZ2 TRP A 94 6.178 6.050 -0.243 1.00 14.32 H new ATOM 0 HZ3 TRP A 94 6.239 5.969 -4.519 1.00 73.14 H new ATOM 0 HH2 TRP A 94 5.402 5.104 -2.373 1.00 4.13 H new ATOM 1472 N GLY A 95 12.473 10.110 -1.672 1.00 43.31 N ATOM 1473 CA GLY A 95 13.276 9.968 -0.464 1.00 53.40 C ATOM 1474 C GLY A 95 13.567 11.300 0.211 1.00 23.34 C ATOM 1475 O GLY A 95 13.803 12.302 -0.463 1.00 61.33 O ATOM 0 H GLY A 95 12.417 11.060 -2.038 1.00 43.31 H new ATOM 0 HA2 GLY A 95 12.756 9.316 0.238 1.00 53.40 H new ATOM 0 HA3 GLY A 95 14.218 9.480 -0.715 1.00 53.40 H new ATOM 1479 N THR A 96 13.550 11.311 1.546 1.00 62.41 N ATOM 1480 CA THR A 96 13.810 12.539 2.325 1.00 54.23 C ATOM 1481 C THR A 96 13.647 12.308 3.832 1.00 11.31 C ATOM 1482 O THR A 96 14.256 13.008 4.640 1.00 20.15 O ATOM 1483 CB THR A 96 12.882 13.715 1.910 1.00 42.41 C ATOM 1484 OG1 THR A 96 13.148 14.879 2.716 1.00 42.53 O ATOM 1485 CG2 THR A 96 11.407 13.336 2.033 1.00 63.24 C ATOM 0 H THR A 96 13.360 10.487 2.116 1.00 62.41 H new ATOM 0 HA THR A 96 14.844 12.804 2.103 1.00 54.23 H new ATOM 0 HB THR A 96 13.094 13.941 0.865 1.00 42.41 H new ATOM 0 HG1 THR A 96 12.556 15.610 2.440 1.00 42.53 H new ATOM 0 HG21 THR A 96 10.788 14.182 1.735 1.00 63.24 H new ATOM 0 HG22 THR A 96 11.195 12.485 1.386 1.00 63.24 H new ATOM 0 HG23 THR A 96 11.185 13.070 3.066 1.00 63.24 H new ATOM 1493 N GLY A 97 12.812 11.342 4.207 1.00 45.24 N ATOM 1494 CA GLY A 97 12.574 11.058 5.622 1.00 41.44 C ATOM 1495 C GLY A 97 11.458 11.904 6.236 1.00 33.33 C ATOM 1496 O GLY A 97 11.492 12.207 7.428 1.00 43.30 O ATOM 0 H GLY A 97 12.293 10.748 3.560 1.00 45.24 H new ATOM 0 HA2 GLY A 97 12.323 10.003 5.735 1.00 41.44 H new ATOM 0 HA3 GLY A 97 13.496 11.228 6.178 1.00 41.44 H new ATOM 1500 N GLU A 98 10.473 12.288 5.424 1.00 63.22 N ATOM 1501 CA GLU A 98 9.293 13.028 5.906 1.00 20.33 C ATOM 1502 C GLU A 98 8.105 12.078 6.121 1.00 52.33 C ATOM 1503 O GLU A 98 7.921 11.125 5.359 1.00 34.33 O ATOM 1504 CB GLU A 98 8.898 14.123 4.900 1.00 13.20 C ATOM 1505 CG GLU A 98 9.951 15.214 4.707 1.00 71.12 C ATOM 1506 CD GLU A 98 10.136 16.098 5.933 1.00 4.41 C ATOM 1507 OE1 GLU A 98 9.322 17.022 6.137 1.00 23.32 O ATOM 1508 OE2 GLU A 98 11.106 15.881 6.690 1.00 25.13 O ATOM 0 H GLU A 98 10.464 12.100 4.422 1.00 63.22 H new ATOM 0 HA GLU A 98 9.553 13.491 6.858 1.00 20.33 H new ATOM 0 HB2 GLU A 98 8.695 13.657 3.936 1.00 13.20 H new ATOM 0 HB3 GLU A 98 7.969 14.587 5.232 1.00 13.20 H new ATOM 0 HG2 GLU A 98 10.904 14.749 4.456 1.00 71.12 H new ATOM 0 HG3 GLU A 98 9.667 15.837 3.858 1.00 71.12 H new ATOM 1515 N ASP A 99 7.298 12.341 7.150 1.00 51.12 N ATOM 1516 CA ASP A 99 6.134 11.500 7.447 1.00 32.42 C ATOM 1517 C ASP A 99 5.082 11.549 6.326 1.00 11.30 C ATOM 1518 O ASP A 99 4.288 12.489 6.236 1.00 20.52 O ATOM 1519 CB ASP A 99 5.488 11.896 8.781 1.00 74.00 C ATOM 1520 CG ASP A 99 6.369 11.579 9.976 1.00 55.02 C ATOM 1521 OD1 ASP A 99 6.473 10.388 10.346 1.00 30.44 O ATOM 1522 OD2 ASP A 99 6.943 12.519 10.561 1.00 65.31 O ATOM 0 H ASP A 99 7.427 13.125 7.790 1.00 51.12 H new ATOM 0 HA ASP A 99 6.503 10.477 7.520 1.00 32.42 H new ATOM 0 HB2 ASP A 99 5.268 12.963 8.770 1.00 74.00 H new ATOM 0 HB3 ASP A 99 4.537 11.375 8.888 1.00 74.00 H new ATOM 1527 N VAL A 100 5.091 10.534 5.466 1.00 60.43 N ATOM 1528 CA VAL A 100 4.088 10.410 4.408 1.00 54.20 C ATOM 1529 C VAL A 100 2.840 9.662 4.913 1.00 62.22 C ATOM 1530 O VAL A 100 2.932 8.567 5.474 1.00 61.02 O ATOM 1531 CB VAL A 100 4.661 9.704 3.147 1.00 25.45 C ATOM 1532 CG1 VAL A 100 5.206 8.316 3.483 1.00 14.34 C ATOM 1533 CG2 VAL A 100 3.609 9.625 2.038 1.00 43.10 C ATOM 0 H VAL A 100 5.782 9.784 5.480 1.00 60.43 H new ATOM 0 HA VAL A 100 3.799 11.422 4.124 1.00 54.20 H new ATOM 0 HB VAL A 100 5.493 10.306 2.782 1.00 25.45 H new ATOM 0 HG11 VAL A 100 5.599 7.851 2.579 1.00 14.34 H new ATOM 0 HG12 VAL A 100 6.004 8.407 4.220 1.00 14.34 H new ATOM 0 HG13 VAL A 100 4.405 7.699 3.890 1.00 14.34 H new ATOM 0 HG21 VAL A 100 4.035 9.127 1.167 1.00 43.10 H new ATOM 0 HG22 VAL A 100 2.747 9.060 2.394 1.00 43.10 H new ATOM 0 HG23 VAL A 100 3.295 10.632 1.762 1.00 43.10 H new ATOM 1543 N LYS A 101 1.676 10.273 4.726 1.00 52.43 N ATOM 1544 CA LYS A 101 0.405 9.691 5.166 1.00 53.55 C ATOM 1545 C LYS A 101 -0.387 9.117 3.981 1.00 20.23 C ATOM 1546 O LYS A 101 -0.754 9.835 3.053 1.00 74.23 O ATOM 1547 CB LYS A 101 -0.410 10.753 5.914 1.00 62.41 C ATOM 1548 CG LYS A 101 -1.844 10.337 6.227 1.00 22.02 C ATOM 1549 CD LYS A 101 -2.500 11.268 7.243 1.00 63.10 C ATOM 1550 CE LYS A 101 -2.285 12.747 6.917 1.00 61.03 C ATOM 1551 NZ LYS A 101 -2.682 13.092 5.526 1.00 32.14 N ATOM 0 H LYS A 101 1.582 11.180 4.269 1.00 52.43 H new ATOM 0 HA LYS A 101 0.613 8.862 5.842 1.00 53.55 H new ATOM 0 HB2 LYS A 101 0.098 10.994 6.848 1.00 62.41 H new ATOM 0 HB3 LYS A 101 -0.430 11.665 5.318 1.00 62.41 H new ATOM 0 HG2 LYS A 101 -2.429 10.333 5.308 1.00 22.02 H new ATOM 0 HG3 LYS A 101 -1.850 9.318 6.613 1.00 22.02 H new ATOM 0 HD2 LYS A 101 -3.569 11.061 7.281 1.00 63.10 H new ATOM 0 HD3 LYS A 101 -2.099 11.057 8.234 1.00 63.10 H new ATOM 0 HE2 LYS A 101 -2.859 13.356 7.616 1.00 61.03 H new ATOM 0 HE3 LYS A 101 -1.234 12.998 7.063 1.00 61.03 H new ATOM 0 HZ1 LYS A 101 -3.248 13.964 5.533 1.00 32.14 H new ATOM 0 HZ2 LYS A 101 -1.830 13.237 4.948 1.00 32.14 H new ATOM 0 HZ3 LYS A 101 -3.246 12.316 5.123 1.00 32.14 H new ATOM 1565 N VAL A 102 -0.655 7.815 4.023 1.00 0.43 N ATOM 1566 CA VAL A 102 -1.289 7.119 2.901 1.00 41.12 C ATOM 1567 C VAL A 102 -2.745 6.719 3.217 1.00 74.02 C ATOM 1568 O VAL A 102 -3.089 6.417 4.362 1.00 24.22 O ATOM 1569 CB VAL A 102 -0.469 5.864 2.511 1.00 71.44 C ATOM 1570 CG1 VAL A 102 -1.038 5.205 1.259 1.00 31.35 C ATOM 1571 CG2 VAL A 102 1.002 6.226 2.311 1.00 33.44 C ATOM 0 H VAL A 102 -0.444 7.217 4.822 1.00 0.43 H new ATOM 0 HA VAL A 102 -1.310 7.813 2.061 1.00 41.12 H new ATOM 0 HB VAL A 102 -0.539 5.146 3.328 1.00 71.44 H new ATOM 0 HG11 VAL A 102 -0.443 4.327 1.008 1.00 31.35 H new ATOM 0 HG12 VAL A 102 -2.069 4.904 1.443 1.00 31.35 H new ATOM 0 HG13 VAL A 102 -1.008 5.912 0.430 1.00 31.35 H new ATOM 0 HG21 VAL A 102 1.563 5.332 2.038 1.00 33.44 H new ATOM 0 HG22 VAL A 102 1.090 6.967 1.516 1.00 33.44 H new ATOM 0 HG23 VAL A 102 1.404 6.638 3.237 1.00 33.44 H new ATOM 1581 N ILE A 103 -3.592 6.720 2.184 1.00 23.23 N ATOM 1582 CA ILE A 103 -5.033 6.449 2.331 1.00 5.42 C ATOM 1583 C ILE A 103 -5.452 5.174 1.568 1.00 75.23 C ATOM 1584 O ILE A 103 -5.194 5.051 0.367 1.00 75.42 O ATOM 1585 CB ILE A 103 -5.870 7.638 1.782 1.00 24.41 C ATOM 1586 CG1 ILE A 103 -5.345 8.986 2.317 1.00 11.40 C ATOM 1587 CG2 ILE A 103 -7.347 7.459 2.126 1.00 63.54 C ATOM 1588 CD1 ILE A 103 -5.414 9.136 3.825 1.00 10.01 C ATOM 0 H ILE A 103 -3.304 6.907 1.224 1.00 23.23 H new ATOM 0 HA ILE A 103 -5.222 6.311 3.396 1.00 5.42 H new ATOM 0 HB ILE A 103 -5.766 7.648 0.697 1.00 24.41 H new ATOM 0 HG12 ILE A 103 -4.310 9.110 2.000 1.00 11.40 H new ATOM 0 HG13 ILE A 103 -5.918 9.792 1.858 1.00 11.40 H new ATOM 0 HG21 ILE A 103 -7.917 8.301 1.733 1.00 63.54 H new ATOM 0 HG22 ILE A 103 -7.714 6.534 1.682 1.00 63.54 H new ATOM 0 HG23 ILE A 103 -7.466 7.414 3.209 1.00 63.54 H new ATOM 0 HD11 ILE A 103 -5.025 10.113 4.112 1.00 10.01 H new ATOM 0 HD12 ILE A 103 -6.450 9.048 4.152 1.00 10.01 H new ATOM 0 HD13 ILE A 103 -4.817 8.355 4.296 1.00 10.01 H new ATOM 1600 N LEU A 104 -6.108 4.234 2.258 1.00 64.31 N ATOM 1601 CA LEU A 104 -6.629 3.011 1.614 1.00 33.51 C ATOM 1602 C LEU A 104 -8.165 3.008 1.559 1.00 31.41 C ATOM 1603 O LEU A 104 -8.831 2.807 2.577 1.00 32.30 O ATOM 1604 CB LEU A 104 -6.153 1.754 2.362 1.00 74.32 C ATOM 1605 CG LEU A 104 -4.672 1.390 2.194 1.00 35.30 C ATOM 1606 CD1 LEU A 104 -4.327 0.164 3.041 1.00 13.44 C ATOM 1607 CD2 LEU A 104 -4.345 1.139 0.721 1.00 71.21 C ATOM 0 H LEU A 104 -6.293 4.291 3.259 1.00 64.31 H new ATOM 0 HA LEU A 104 -6.241 3.001 0.595 1.00 33.51 H new ATOM 0 HB2 LEU A 104 -6.355 1.890 3.425 1.00 74.32 H new ATOM 0 HB3 LEU A 104 -6.754 0.908 2.029 1.00 74.32 H new ATOM 0 HG LEU A 104 -4.067 2.228 2.539 1.00 35.30 H new ATOM 0 HD11 LEU A 104 -3.273 -0.083 2.912 1.00 13.44 H new ATOM 0 HD12 LEU A 104 -4.523 0.380 4.091 1.00 13.44 H new ATOM 0 HD13 LEU A 104 -4.939 -0.681 2.724 1.00 13.44 H new ATOM 0 HD21 LEU A 104 -3.290 0.882 0.621 1.00 71.21 H new ATOM 0 HD22 LEU A 104 -4.956 0.317 0.348 1.00 71.21 H new ATOM 0 HD23 LEU A 104 -4.556 2.039 0.143 1.00 71.21 H new ATOM 1619 N LYS A 105 -8.726 3.221 0.368 1.00 73.35 N ATOM 1620 CA LYS A 105 -10.183 3.178 0.177 1.00 13.44 C ATOM 1621 C LYS A 105 -10.592 2.106 -0.850 1.00 44.30 C ATOM 1622 O LYS A 105 -9.926 1.907 -1.869 1.00 72.31 O ATOM 1623 CB LYS A 105 -10.718 4.557 -0.243 1.00 50.14 C ATOM 1624 CG LYS A 105 -10.737 5.580 0.894 1.00 12.13 C ATOM 1625 CD LYS A 105 -11.382 6.897 0.470 1.00 74.21 C ATOM 1626 CE LYS A 105 -11.719 7.783 1.672 1.00 72.25 C ATOM 1627 NZ LYS A 105 -10.514 8.216 2.436 1.00 40.14 N ATOM 0 H LYS A 105 -8.197 3.425 -0.480 1.00 73.35 H new ATOM 0 HA LYS A 105 -10.629 2.906 1.134 1.00 13.44 H new ATOM 0 HB2 LYS A 105 -10.104 4.943 -1.057 1.00 50.14 H new ATOM 0 HB3 LYS A 105 -11.729 4.441 -0.633 1.00 50.14 H new ATOM 0 HG2 LYS A 105 -11.281 5.167 1.744 1.00 12.13 H new ATOM 0 HG3 LYS A 105 -9.717 5.768 1.229 1.00 12.13 H new ATOM 0 HD2 LYS A 105 -10.707 7.433 -0.198 1.00 74.21 H new ATOM 0 HD3 LYS A 105 -12.291 6.690 -0.094 1.00 74.21 H new ATOM 0 HE2 LYS A 105 -12.259 8.665 1.326 1.00 72.25 H new ATOM 0 HE3 LYS A 105 -12.389 7.241 2.339 1.00 72.25 H new ATOM 0 HZ1 LYS A 105 -10.782 8.955 3.117 1.00 40.14 H new ATOM 0 HZ2 LYS A 105 -10.116 7.402 2.947 1.00 40.14 H new ATOM 0 HZ3 LYS A 105 -9.803 8.593 1.778 1.00 40.14 H new ATOM 1641 N ASN A 106 -11.697 1.421 -0.562 1.00 3.51 N ATOM 1642 CA ASN A 106 -12.186 0.323 -1.401 1.00 44.51 C ATOM 1643 C ASN A 106 -12.966 0.827 -2.628 1.00 20.11 C ATOM 1644 O ASN A 106 -13.157 2.029 -2.817 1.00 73.12 O ATOM 1645 CB ASN A 106 -13.071 -0.613 -0.566 1.00 32.25 C ATOM 1646 CG ASN A 106 -12.366 -1.117 0.682 1.00 44.02 C ATOM 1647 OD1 ASN A 106 -12.420 -0.491 1.731 1.00 51.00 O ATOM 1648 ND2 ASN A 106 -11.693 -2.248 0.582 1.00 20.41 N ATOM 0 H ASN A 106 -12.278 1.608 0.255 1.00 3.51 H new ATOM 0 HA ASN A 106 -11.316 -0.219 -1.771 1.00 44.51 H new ATOM 0 HB2 ASN A 106 -13.981 -0.087 -0.278 1.00 32.25 H new ATOM 0 HB3 ASN A 106 -13.374 -1.463 -1.177 1.00 32.25 H new ATOM 0 HD21 ASN A 106 -11.200 -2.622 1.393 1.00 20.41 H new ATOM 0 HD22 ASN A 106 -11.666 -2.748 -0.306 1.00 20.41 H new ATOM 1655 N SER A 107 -13.435 -0.120 -3.440 1.00 34.03 N ATOM 1656 CA SER A 107 -14.145 0.179 -4.695 1.00 31.14 C ATOM 1657 C SER A 107 -15.344 1.114 -4.479 1.00 21.31 C ATOM 1658 O SER A 107 -15.491 2.116 -5.182 1.00 53.50 O ATOM 1659 CB SER A 107 -14.617 -1.127 -5.347 1.00 1.44 C ATOM 1660 OG SER A 107 -15.422 -1.877 -4.451 1.00 14.21 O ATOM 0 H SER A 107 -13.336 -1.118 -3.251 1.00 34.03 H new ATOM 0 HA SER A 107 -13.444 0.694 -5.352 1.00 31.14 H new ATOM 0 HB2 SER A 107 -15.183 -0.903 -6.251 1.00 1.44 H new ATOM 0 HB3 SER A 107 -13.754 -1.720 -5.650 1.00 1.44 H new ATOM 0 HG SER A 107 -15.713 -2.705 -4.888 1.00 14.21 H new ATOM 1666 N GLN A 108 -16.193 0.791 -3.502 1.00 44.21 N ATOM 1667 CA GLN A 108 -17.391 1.600 -3.215 1.00 65.32 C ATOM 1668 C GLN A 108 -17.052 2.967 -2.588 1.00 71.15 C ATOM 1669 O GLN A 108 -17.941 3.789 -2.367 1.00 14.33 O ATOM 1670 CB GLN A 108 -18.353 0.841 -2.287 1.00 45.11 C ATOM 1671 CG GLN A 108 -18.874 -0.472 -2.865 1.00 2.03 C ATOM 1672 CD GLN A 108 -20.015 -1.054 -2.044 1.00 21.33 C ATOM 1673 OE1 GLN A 108 -21.180 -0.774 -2.297 1.00 52.23 O ATOM 1674 NE2 GLN A 108 -19.691 -1.854 -1.048 1.00 33.33 N ATOM 0 H GLN A 108 -16.079 -0.021 -2.895 1.00 44.21 H new ATOM 0 HA GLN A 108 -17.871 1.784 -4.176 1.00 65.32 H new ATOM 0 HB2 GLN A 108 -17.844 0.634 -1.346 1.00 45.11 H new ATOM 0 HB3 GLN A 108 -19.201 1.485 -2.056 1.00 45.11 H new ATOM 0 HG2 GLN A 108 -19.213 -0.307 -3.888 1.00 2.03 H new ATOM 0 HG3 GLN A 108 -18.059 -1.194 -2.912 1.00 2.03 H new ATOM 0 HE21 GLN A 108 -18.711 -2.067 -0.863 1.00 33.33 H new ATOM 0 HE22 GLN A 108 -20.420 -2.260 -0.462 1.00 33.33 H new ATOM 1683 N GLY A 109 -15.774 3.212 -2.305 1.00 62.14 N ATOM 1684 CA GLY A 109 -15.364 4.482 -1.701 1.00 13.20 C ATOM 1685 C GLY A 109 -15.199 4.409 -0.184 1.00 63.30 C ATOM 1686 O GLY A 109 -14.583 5.288 0.424 1.00 70.23 O ATOM 0 H GLY A 109 -15.011 2.558 -2.481 1.00 62.14 H new ATOM 0 HA2 GLY A 109 -14.421 4.800 -2.146 1.00 13.20 H new ATOM 0 HA3 GLY A 109 -16.104 5.246 -1.942 1.00 13.20 H new ATOM 1690 N GLU A 110 -15.757 3.367 0.435 1.00 74.14 N ATOM 1691 CA GLU A 110 -15.597 3.153 1.876 1.00 24.44 C ATOM 1692 C GLU A 110 -14.140 2.802 2.215 1.00 3.12 C ATOM 1693 O GLU A 110 -13.464 2.121 1.450 1.00 62.34 O ATOM 1694 CB GLU A 110 -16.558 2.060 2.372 1.00 12.43 C ATOM 1695 CG GLU A 110 -16.446 0.730 1.629 1.00 1.43 C ATOM 1696 CD GLU A 110 -17.533 -0.256 2.039 1.00 12.43 C ATOM 1697 OE1 GLU A 110 -18.628 -0.225 1.437 1.00 74.31 O ATOM 1698 OE2 GLU A 110 -17.303 -1.050 2.979 1.00 51.55 O ATOM 0 H GLU A 110 -16.322 2.660 -0.036 1.00 74.14 H new ATOM 0 HA GLU A 110 -15.847 4.081 2.391 1.00 24.44 H new ATOM 0 HB2 GLU A 110 -16.373 1.886 3.432 1.00 12.43 H new ATOM 0 HB3 GLU A 110 -17.581 2.426 2.283 1.00 12.43 H new ATOM 0 HG2 GLU A 110 -16.508 0.910 0.556 1.00 1.43 H new ATOM 0 HG3 GLU A 110 -15.468 0.290 1.822 1.00 1.43 H new ATOM 1705 N GLU A 111 -13.663 3.277 3.360 1.00 42.21 N ATOM 1706 CA GLU A 111 -12.239 3.193 3.713 1.00 42.31 C ATOM 1707 C GLU A 111 -11.948 2.081 4.734 1.00 64.12 C ATOM 1708 O GLU A 111 -12.605 1.998 5.775 1.00 14.43 O ATOM 1709 CB GLU A 111 -11.787 4.541 4.282 1.00 41.42 C ATOM 1710 CG GLU A 111 -10.320 4.589 4.693 1.00 22.23 C ATOM 1711 CD GLU A 111 -9.940 5.921 5.313 1.00 53.32 C ATOM 1712 OE1 GLU A 111 -9.562 6.845 4.561 1.00 0.32 O ATOM 1713 OE2 GLU A 111 -10.041 6.050 6.555 1.00 74.24 O ATOM 0 H GLU A 111 -14.242 3.729 4.068 1.00 42.21 H new ATOM 0 HA GLU A 111 -11.686 2.949 2.806 1.00 42.31 H new ATOM 0 HB2 GLU A 111 -11.969 5.316 3.537 1.00 41.42 H new ATOM 0 HB3 GLU A 111 -12.403 4.781 5.149 1.00 41.42 H new ATOM 0 HG2 GLU A 111 -10.118 3.788 5.405 1.00 22.23 H new ATOM 0 HG3 GLU A 111 -9.694 4.405 3.820 1.00 22.23 H new ATOM 1720 N VAL A 112 -10.950 1.244 4.443 1.00 23.44 N ATOM 1721 CA VAL A 112 -10.490 0.234 5.405 1.00 65.11 C ATOM 1722 C VAL A 112 -9.625 0.868 6.505 1.00 42.42 C ATOM 1723 O VAL A 112 -9.820 0.587 7.689 1.00 51.44 O ATOM 1724 CB VAL A 112 -9.700 -0.921 4.727 1.00 12.42 C ATOM 1725 CG1 VAL A 112 -10.626 -1.788 3.878 1.00 10.52 C ATOM 1726 CG2 VAL A 112 -8.546 -0.381 3.883 1.00 52.45 C ATOM 0 H VAL A 112 -10.446 1.243 3.556 1.00 23.44 H new ATOM 0 HA VAL A 112 -11.390 -0.191 5.850 1.00 65.11 H new ATOM 0 HB VAL A 112 -9.277 -1.542 5.517 1.00 12.42 H new ATOM 0 HG11 VAL A 112 -10.050 -2.589 3.414 1.00 10.52 H new ATOM 0 HG12 VAL A 112 -11.402 -2.218 4.510 1.00 10.52 H new ATOM 0 HG13 VAL A 112 -11.087 -1.177 3.102 1.00 10.52 H new ATOM 0 HG21 VAL A 112 -8.013 -1.212 3.422 1.00 52.45 H new ATOM 0 HG22 VAL A 112 -8.939 0.274 3.105 1.00 52.45 H new ATOM 0 HG23 VAL A 112 -7.862 0.181 4.519 1.00 52.45 H new ATOM 1736 N ALA A 113 -8.682 1.733 6.108 1.00 14.43 N ATOM 1737 CA ALA A 113 -7.798 2.410 7.068 1.00 21.23 C ATOM 1738 C ALA A 113 -6.851 3.417 6.389 1.00 3.30 C ATOM 1739 O ALA A 113 -6.243 3.125 5.359 1.00 64.33 O ATOM 1740 CB ALA A 113 -6.979 1.387 7.856 1.00 13.43 C ATOM 0 H ALA A 113 -8.512 1.980 5.133 1.00 14.43 H new ATOM 0 HA ALA A 113 -8.443 2.968 7.747 1.00 21.23 H new ATOM 0 HB1 ALA A 113 -6.330 1.906 8.562 1.00 13.43 H new ATOM 0 HB2 ALA A 113 -7.651 0.724 8.401 1.00 13.43 H new ATOM 0 HB3 ALA A 113 -6.370 0.800 7.168 1.00 13.43 H new ATOM 1746 N GLN A 114 -6.754 4.612 6.970 1.00 45.33 N ATOM 1747 CA GLN A 114 -5.733 5.596 6.583 1.00 63.42 C ATOM 1748 C GLN A 114 -4.637 5.650 7.660 1.00 33.12 C ATOM 1749 O GLN A 114 -4.935 5.548 8.856 1.00 25.11 O ATOM 1750 CB GLN A 114 -6.364 6.984 6.384 1.00 42.02 C ATOM 1751 CG GLN A 114 -7.087 7.525 7.615 1.00 31.24 C ATOM 1752 CD GLN A 114 -7.753 8.872 7.374 1.00 30.33 C ATOM 1753 OE1 GLN A 114 -7.292 9.679 6.574 1.00 61.20 O ATOM 1754 NE2 GLN A 114 -8.848 9.123 8.063 1.00 41.12 N ATOM 0 H GLN A 114 -7.373 4.928 7.716 1.00 45.33 H new ATOM 0 HA GLN A 114 -5.288 5.291 5.636 1.00 63.42 H new ATOM 0 HB2 GLN A 114 -5.583 7.688 6.097 1.00 42.02 H new ATOM 0 HB3 GLN A 114 -7.070 6.935 5.555 1.00 42.02 H new ATOM 0 HG2 GLN A 114 -7.842 6.805 7.931 1.00 31.24 H new ATOM 0 HG3 GLN A 114 -6.375 7.620 8.434 1.00 31.24 H new ATOM 0 HE21 GLN A 114 -9.206 8.431 8.721 1.00 41.12 H new ATOM 0 HE22 GLN A 114 -9.337 10.009 7.938 1.00 41.12 H new ATOM 1763 N ARG A 115 -3.375 5.799 7.256 1.00 2.13 N ATOM 1764 CA ARG A 115 -2.263 5.711 8.216 1.00 54.24 C ATOM 1765 C ARG A 115 -1.012 6.469 7.736 1.00 60.23 C ATOM 1766 O ARG A 115 -0.736 6.542 6.538 1.00 0.52 O ATOM 1767 CB ARG A 115 -1.923 4.229 8.457 1.00 51.25 C ATOM 1768 CG ARG A 115 -1.058 3.974 9.688 1.00 12.44 C ATOM 1769 CD ARG A 115 -0.828 2.480 9.916 1.00 31.33 C ATOM 1770 NE ARG A 115 -0.233 2.207 11.223 1.00 31.51 N ATOM 1771 CZ ARG A 115 0.229 1.042 11.591 1.00 50.24 C ATOM 1772 NH1 ARG A 115 0.208 0.032 10.782 1.00 42.43 N ATOM 1773 NH2 ARG A 115 0.706 0.881 12.782 1.00 41.21 N ATOM 0 H ARG A 115 -3.096 5.978 6.291 1.00 2.13 H new ATOM 0 HA ARG A 115 -2.583 6.183 9.145 1.00 54.24 H new ATOM 0 HB2 ARG A 115 -2.852 3.667 8.558 1.00 51.25 H new ATOM 0 HB3 ARG A 115 -1.408 3.839 7.579 1.00 51.25 H new ATOM 0 HG2 ARG A 115 -0.098 4.476 9.569 1.00 12.44 H new ATOM 0 HG3 ARG A 115 -1.537 4.407 10.566 1.00 12.44 H new ATOM 0 HD2 ARG A 115 -1.777 1.951 9.833 1.00 31.33 H new ATOM 0 HD3 ARG A 115 -0.177 2.091 9.134 1.00 31.33 H new ATOM 0 HE ARG A 115 -0.175 2.976 11.891 1.00 31.51 H new ATOM 0 HH11 ARG A 115 -0.173 0.139 9.842 1.00 42.43 H new ATOM 0 HH12 ARG A 115 0.573 -0.871 11.084 1.00 42.43 H new ATOM 0 HH21 ARG A 115 0.722 1.664 13.435 1.00 41.21 H new ATOM 0 HH22 ARG A 115 1.066 -0.029 13.068 1.00 41.21 H new ATOM 1787 N SER A 116 -0.263 7.032 8.685 1.00 12.51 N ATOM 1788 CA SER A 116 0.991 7.738 8.379 1.00 15.30 C ATOM 1789 C SER A 116 2.210 6.948 8.872 1.00 4.03 C ATOM 1790 O SER A 116 2.076 5.964 9.602 1.00 11.23 O ATOM 1791 CB SER A 116 0.995 9.136 9.020 1.00 4.30 C ATOM 1792 OG SER A 116 0.861 9.063 10.434 1.00 24.00 O ATOM 0 H SER A 116 -0.501 7.015 9.677 1.00 12.51 H new ATOM 0 HA SER A 116 1.054 7.836 7.295 1.00 15.30 H new ATOM 0 HB2 SER A 116 1.922 9.650 8.768 1.00 4.30 H new ATOM 0 HB3 SER A 116 0.179 9.729 8.607 1.00 4.30 H new ATOM 0 HG SER A 116 0.869 9.968 10.810 1.00 24.00 H new ATOM 1798 N THR A 117 3.400 7.385 8.471 1.00 71.42 N ATOM 1799 CA THR A 117 4.650 6.749 8.912 1.00 13.13 C ATOM 1800 C THR A 117 4.960 7.045 10.386 1.00 43.23 C ATOM 1801 O THR A 117 4.375 7.943 10.992 1.00 70.42 O ATOM 1802 CB THR A 117 5.853 7.219 8.065 1.00 0.30 C ATOM 1803 OG1 THR A 117 5.962 8.644 8.121 1.00 41.03 O ATOM 1804 CG2 THR A 117 5.714 6.775 6.615 1.00 42.14 C ATOM 0 H THR A 117 3.531 8.177 7.841 1.00 71.42 H new ATOM 0 HA THR A 117 4.499 5.677 8.783 1.00 13.13 H new ATOM 0 HB THR A 117 6.753 6.765 8.479 1.00 0.30 H new ATOM 0 HG1 THR A 117 6.235 8.916 9.022 1.00 41.03 H new ATOM 0 HG21 THR A 117 6.576 7.121 6.044 1.00 42.14 H new ATOM 0 HG22 THR A 117 5.662 5.687 6.571 1.00 42.14 H new ATOM 0 HG23 THR A 117 4.804 7.199 6.190 1.00 42.14 H new ATOM 1812 N VAL A 118 5.881 6.274 10.955 1.00 44.43 N ATOM 1813 CA VAL A 118 6.361 6.507 12.319 1.00 3.32 C ATOM 1814 C VAL A 118 7.839 6.111 12.448 1.00 62.43 C ATOM 1815 O VAL A 118 8.203 4.951 12.257 1.00 14.31 O ATOM 1816 CB VAL A 118 5.512 5.743 13.370 1.00 32.51 C ATOM 1817 CG1 VAL A 118 5.438 4.248 13.052 1.00 1.11 C ATOM 1818 CG2 VAL A 118 6.056 5.976 14.779 1.00 23.40 C ATOM 0 H VAL A 118 6.315 5.476 10.491 1.00 44.43 H new ATOM 0 HA VAL A 118 6.258 7.574 12.519 1.00 3.32 H new ATOM 0 HB VAL A 118 4.497 6.138 13.326 1.00 32.51 H new ATOM 0 HG11 VAL A 118 4.836 3.744 13.808 1.00 1.11 H new ATOM 0 HG12 VAL A 118 4.982 4.107 12.072 1.00 1.11 H new ATOM 0 HG13 VAL A 118 6.443 3.827 13.049 1.00 1.11 H new ATOM 0 HG21 VAL A 118 5.446 5.431 15.499 1.00 23.40 H new ATOM 0 HG22 VAL A 118 7.086 5.622 14.835 1.00 23.40 H new ATOM 0 HG23 VAL A 118 6.025 7.041 15.009 1.00 23.40 H new