USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 658 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 35 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 61 ASN : amide:sc= -0.223 X(o=-0.22,f=-0.067) USER MOD Single : A 11 THR OG1 : rot -15:sc= 0.498 USER MOD Single : A 12 SER OG : rot 53:sc= 0.00435 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= -0.267 X(o=-0.27,f=0.0053) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0.286 X(o=0.29,f=-0.19) USER MOD Single : A 27 THR OG1 : rot -150:sc= -0.149 USER MOD Single : A 28 SER OG : rot 180:sc= 0.0187 USER MOD Single : A 32 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0439) USER MOD Single : A 33 LYS NZ :NH3+ 134:sc= 0.291 (180deg=-0.369) USER MOD Single : A 34 SER OG : rot -120:sc= -0.0355 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -156:sc= -0.121 (180deg=-0.509) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -0.397 X(o=-0.4,f=-0.21) USER MOD Single : A 46 LYS NZ :NH3+ -161:sc= -0.0328 (180deg=-0.307) USER MOD Single : A 47 ASN : amide:sc= 0.853 K(o=0.85,f=0) USER MOD Single : A 50 ASN : amide:sc= -0.471 K(o=-0.47,f=-7.3!) USER MOD Single : A 56 LYS NZ :NH3+ -168:sc= 0.932 (180deg=0.676) USER MOD Single : A 58 LYS NZ :NH3+ 162:sc= 1.1 (180deg=0.523) USER MOD Single : A 62 ASN : amide:sc= -9.53! C(o=-9.5!,f=-11!) USER MOD Single : A 64 HIS : no HE2:sc= -3.98! C(o=-4!,f=-6.3!) USER MOD Single : A 68 THR OG1 : rot 120:sc= -0.017 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -0.187 K(o=-0.19,f=-1.1!) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc=0.000372 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0.0337 K(o=0.034,f=-0.95) USER MOD Single : A 94 ASN : amide:sc= -2.87! C(o=-2.9!,f=-5.9!) USER MOD ----------------------------------------------------------------- ATOM 241 N THR A 11 -4.978 4.016 -7.372 1.00 0.43 N ATOM 242 CA THR A 11 -5.454 2.714 -6.948 1.00 0.36 C ATOM 243 C THR A 11 -5.163 1.637 -7.974 1.00 0.37 C ATOM 244 O THR A 11 -5.981 1.332 -8.842 1.00 0.44 O ATOM 245 CB THR A 11 -6.944 2.731 -6.616 1.00 0.44 C ATOM 246 OG1 THR A 11 -7.630 3.662 -7.465 1.00 0.60 O ATOM 247 CG2 THR A 11 -7.143 3.091 -5.158 1.00 0.54 C ATOM 0 HA THR A 11 -4.903 2.474 -6.039 1.00 0.36 H new ATOM 0 HB THR A 11 -7.360 1.738 -6.790 1.00 0.44 H new ATOM 0 HG1 THR A 11 -6.977 4.246 -7.904 1.00 0.60 H new ATOM 0 HG21 THR A 11 -8.208 3.101 -4.928 1.00 0.54 H new ATOM 0 HG22 THR A 11 -6.643 2.354 -4.530 1.00 0.54 H new ATOM 0 HG23 THR A 11 -6.721 4.077 -4.966 1.00 0.54 H new ATOM 255 N SER A 12 -3.973 1.090 -7.877 1.00 0.36 N ATOM 256 CA SER A 12 -3.580 -0.027 -8.693 1.00 0.40 C ATOM 257 C SER A 12 -2.717 -0.982 -7.881 1.00 0.34 C ATOM 258 O SER A 12 -1.489 -0.884 -7.867 1.00 0.41 O ATOM 259 CB SER A 12 -2.854 0.467 -9.944 1.00 0.53 C ATOM 260 OG SER A 12 -1.957 1.522 -9.630 1.00 1.26 O ATOM 0 H SER A 12 -3.253 1.410 -7.229 1.00 0.36 H new ATOM 0 HA SER A 12 -4.466 -0.572 -9.019 1.00 0.40 H new ATOM 0 HB2 SER A 12 -2.306 -0.357 -10.400 1.00 0.53 H new ATOM 0 HB3 SER A 12 -3.582 0.811 -10.679 1.00 0.53 H new ATOM 0 HG SER A 12 -1.358 1.238 -8.908 1.00 1.26 H new ATOM 266 N GLY A 13 -3.378 -1.882 -7.162 1.00 0.28 N ATOM 267 CA GLY A 13 -2.668 -2.866 -6.371 1.00 0.29 C ATOM 268 C GLY A 13 -2.055 -3.947 -7.232 1.00 0.27 C ATOM 269 O GLY A 13 -1.360 -4.835 -6.739 1.00 0.27 O ATOM 0 H GLY A 13 -4.395 -1.947 -7.114 1.00 0.28 H new ATOM 0 HA2 GLY A 13 -1.885 -2.372 -5.796 1.00 0.29 H new ATOM 0 HA3 GLY A 13 -3.353 -3.318 -5.654 1.00 0.29 H new ATOM 273 N GLU A 14 -2.293 -3.851 -8.530 1.00 0.28 N ATOM 274 CA GLU A 14 -1.837 -4.853 -9.479 1.00 0.26 C ATOM 275 C GLU A 14 -0.313 -4.896 -9.572 1.00 0.20 C ATOM 276 O GLU A 14 0.267 -5.908 -9.953 1.00 0.23 O ATOM 277 CB GLU A 14 -2.470 -4.613 -10.862 1.00 0.32 C ATOM 278 CG GLU A 14 -2.541 -3.148 -11.310 1.00 0.35 C ATOM 279 CD GLU A 14 -1.185 -2.519 -11.578 1.00 0.95 C ATOM 280 OE1 GLU A 14 -0.552 -2.874 -12.593 1.00 0.99 O ATOM 281 OE2 GLU A 14 -0.757 -1.650 -10.788 1.00 1.60 O ATOM 0 H GLU A 14 -2.806 -3.078 -8.954 1.00 0.28 H new ATOM 0 HA GLU A 14 -2.162 -5.827 -9.114 1.00 0.26 H new ATOM 0 HB2 GLU A 14 -1.903 -5.175 -11.604 1.00 0.32 H new ATOM 0 HB3 GLU A 14 -3.480 -5.022 -10.856 1.00 0.32 H new ATOM 0 HG2 GLU A 14 -3.145 -3.084 -12.215 1.00 0.35 H new ATOM 0 HG3 GLU A 14 -3.054 -2.568 -10.543 1.00 0.35 H new ATOM 288 N SER A 15 0.329 -3.799 -9.214 1.00 0.21 N ATOM 289 CA SER A 15 1.774 -3.705 -9.286 1.00 0.22 C ATOM 290 C SER A 15 2.420 -4.145 -7.976 1.00 0.19 C ATOM 291 O SER A 15 3.631 -4.258 -7.908 1.00 0.22 O ATOM 292 CB SER A 15 2.198 -2.277 -9.626 1.00 0.31 C ATOM 293 OG SER A 15 3.542 -2.228 -10.066 1.00 0.74 O ATOM 0 H SER A 15 -0.131 -2.957 -8.869 1.00 0.21 H new ATOM 0 HA SER A 15 2.115 -4.374 -10.076 1.00 0.22 H new ATOM 0 HB2 SER A 15 1.545 -1.877 -10.402 1.00 0.31 H new ATOM 0 HB3 SER A 15 2.077 -1.641 -8.749 1.00 0.31 H new ATOM 0 HG SER A 15 3.783 -1.302 -10.277 1.00 0.74 H new ATOM 299 N LEU A 16 1.602 -4.376 -6.944 1.00 0.16 N ATOM 300 CA LEU A 16 2.084 -4.686 -5.584 1.00 0.14 C ATOM 301 C LEU A 16 3.311 -5.595 -5.570 1.00 0.14 C ATOM 302 O LEU A 16 4.337 -5.245 -4.987 1.00 0.16 O ATOM 303 CB LEU A 16 0.966 -5.339 -4.782 1.00 0.16 C ATOM 304 CG LEU A 16 0.386 -4.497 -3.649 1.00 0.16 C ATOM 305 CD1 LEU A 16 0.249 -3.040 -4.060 1.00 0.16 C ATOM 306 CD2 LEU A 16 -0.959 -5.061 -3.236 1.00 0.18 C ATOM 0 H LEU A 16 0.585 -4.354 -7.023 1.00 0.16 H new ATOM 0 HA LEU A 16 2.383 -3.739 -5.135 1.00 0.14 H new ATOM 0 HB2 LEU A 16 0.158 -5.601 -5.466 1.00 0.16 H new ATOM 0 HB3 LEU A 16 1.342 -6.271 -4.361 1.00 0.16 H new ATOM 0 HG LEU A 16 1.070 -4.537 -2.801 1.00 0.16 H new ATOM 0 HD11 LEU A 16 -0.167 -2.466 -3.232 1.00 0.16 H new ATOM 0 HD12 LEU A 16 1.229 -2.642 -4.321 1.00 0.16 H new ATOM 0 HD13 LEU A 16 -0.414 -2.966 -4.922 1.00 0.16 H new ATOM 0 HD21 LEU A 16 -1.373 -4.459 -2.427 1.00 0.18 H new ATOM 0 HD22 LEU A 16 -1.639 -5.041 -4.088 1.00 0.18 H new ATOM 0 HD23 LEU A 16 -0.834 -6.089 -2.896 1.00 0.18 H new ATOM 318 N TYR A 17 3.208 -6.749 -6.217 1.00 0.17 N ATOM 319 CA TYR A 17 4.306 -7.715 -6.234 1.00 0.20 C ATOM 320 C TYR A 17 5.561 -7.140 -6.896 1.00 0.24 C ATOM 321 O TYR A 17 6.681 -7.547 -6.587 1.00 0.34 O ATOM 322 CB TYR A 17 3.879 -9.007 -6.940 1.00 0.25 C ATOM 323 CG TYR A 17 3.469 -8.849 -8.390 1.00 0.63 C ATOM 324 CD1 TYR A 17 4.422 -8.776 -9.396 1.00 1.22 C ATOM 325 CD2 TYR A 17 2.130 -8.752 -8.750 1.00 0.69 C ATOM 326 CE1 TYR A 17 4.053 -8.609 -10.716 1.00 1.66 C ATOM 327 CE2 TYR A 17 1.754 -8.590 -10.066 1.00 1.08 C ATOM 328 CZ TYR A 17 2.716 -8.601 -11.053 1.00 1.53 C ATOM 329 OH TYR A 17 2.344 -8.348 -12.358 1.00 1.99 O ATOM 0 H TYR A 17 2.380 -7.041 -6.736 1.00 0.17 H new ATOM 0 HA TYR A 17 4.553 -7.942 -5.197 1.00 0.20 H new ATOM 0 HB2 TYR A 17 4.703 -9.719 -6.888 1.00 0.25 H new ATOM 0 HB3 TYR A 17 3.046 -9.444 -6.390 1.00 0.25 H new ATOM 0 HD1 TYR A 17 5.469 -8.851 -9.142 1.00 1.22 H new ATOM 0 HD2 TYR A 17 1.370 -8.805 -7.984 1.00 0.69 H new ATOM 0 HE1 TYR A 17 4.807 -8.485 -11.480 1.00 1.66 H new ATOM 0 HE2 TYR A 17 0.713 -8.455 -10.322 1.00 1.08 H new ATOM 0 HH TYR A 17 1.367 -8.379 -12.432 1.00 1.99 H new ATOM 339 N HIS A 18 5.361 -6.190 -7.794 1.00 0.22 N ATOM 340 CA HIS A 18 6.450 -5.580 -8.548 1.00 0.26 C ATOM 341 C HIS A 18 6.984 -4.363 -7.809 1.00 0.23 C ATOM 342 O HIS A 18 8.143 -3.982 -7.966 1.00 0.29 O ATOM 343 CB HIS A 18 5.945 -5.175 -9.939 1.00 0.31 C ATOM 344 CG HIS A 18 7.031 -4.881 -10.934 1.00 0.82 C ATOM 345 ND1 HIS A 18 7.184 -5.591 -12.103 1.00 1.62 N ATOM 346 CD2 HIS A 18 8.006 -3.944 -10.938 1.00 1.37 C ATOM 347 CE1 HIS A 18 8.203 -5.101 -12.782 1.00 1.96 C ATOM 348 NE2 HIS A 18 8.719 -4.100 -12.098 1.00 1.74 N ATOM 0 H HIS A 18 4.439 -5.818 -8.023 1.00 0.22 H new ATOM 0 HA HIS A 18 7.260 -6.302 -8.656 1.00 0.26 H new ATOM 0 HB2 HIS A 18 5.317 -5.975 -10.331 1.00 0.31 H new ATOM 0 HB3 HIS A 18 5.312 -4.293 -9.839 1.00 0.31 H new ATOM 0 HD2 HIS A 18 8.189 -3.208 -10.169 1.00 1.37 H new ATOM 0 HE1 HIS A 18 8.555 -5.460 -13.738 1.00 1.96 H new ATOM 0 HE2 HIS A 18 9.518 -3.534 -12.385 1.00 1.74 H new ATOM 357 N VAL A 19 6.126 -3.780 -6.993 1.00 0.17 N ATOM 358 CA VAL A 19 6.437 -2.571 -6.254 1.00 0.16 C ATOM 359 C VAL A 19 7.686 -2.755 -5.393 1.00 0.17 C ATOM 360 O VAL A 19 8.553 -1.881 -5.340 1.00 0.20 O ATOM 361 CB VAL A 19 5.226 -2.159 -5.379 1.00 0.15 C ATOM 362 CG1 VAL A 19 5.606 -1.116 -4.361 1.00 0.18 C ATOM 363 CG2 VAL A 19 4.099 -1.626 -6.244 1.00 0.19 C ATOM 0 H VAL A 19 5.185 -4.136 -6.823 1.00 0.17 H new ATOM 0 HA VAL A 19 6.643 -1.775 -6.970 1.00 0.16 H new ATOM 0 HB VAL A 19 4.892 -3.053 -4.852 1.00 0.15 H new ATOM 0 HG11 VAL A 19 4.731 -0.852 -3.766 1.00 0.18 H new ATOM 0 HG12 VAL A 19 6.383 -1.512 -3.707 1.00 0.18 H new ATOM 0 HG13 VAL A 19 5.979 -0.228 -4.872 1.00 0.18 H new ATOM 0 HG21 VAL A 19 3.258 -1.342 -5.611 1.00 0.19 H new ATOM 0 HG22 VAL A 19 4.447 -0.754 -6.798 1.00 0.19 H new ATOM 0 HG23 VAL A 19 3.782 -2.398 -6.945 1.00 0.19 H new ATOM 373 N LEU A 20 7.787 -3.907 -4.754 1.00 0.18 N ATOM 374 CA LEU A 20 8.915 -4.190 -3.870 1.00 0.24 C ATOM 375 C LEU A 20 9.684 -5.437 -4.306 1.00 0.27 C ATOM 376 O LEU A 20 10.860 -5.591 -3.975 1.00 0.33 O ATOM 377 CB LEU A 20 8.450 -4.322 -2.415 1.00 0.28 C ATOM 378 CG LEU A 20 6.976 -4.684 -2.213 1.00 0.23 C ATOM 379 CD1 LEU A 20 6.658 -6.043 -2.809 1.00 0.25 C ATOM 380 CD2 LEU A 20 6.628 -4.655 -0.733 1.00 0.28 C ATOM 0 H LEU A 20 7.106 -4.663 -4.827 1.00 0.18 H new ATOM 0 HA LEU A 20 9.599 -3.344 -3.940 1.00 0.24 H new ATOM 0 HB2 LEU A 20 9.061 -5.081 -1.926 1.00 0.28 H new ATOM 0 HB3 LEU A 20 8.645 -3.379 -1.905 1.00 0.28 H new ATOM 0 HG LEU A 20 6.369 -3.943 -2.733 1.00 0.23 H new ATOM 0 HD11 LEU A 20 5.604 -6.273 -2.650 1.00 0.25 H new ATOM 0 HD12 LEU A 20 6.869 -6.030 -3.878 1.00 0.25 H new ATOM 0 HD13 LEU A 20 7.272 -6.804 -2.327 1.00 0.25 H new ATOM 0 HD21 LEU A 20 5.577 -4.914 -0.601 1.00 0.28 H new ATOM 0 HD22 LEU A 20 7.249 -5.374 -0.199 1.00 0.28 H new ATOM 0 HD23 LEU A 20 6.808 -3.656 -0.336 1.00 0.28 H new ATOM 392 N GLY A 21 9.026 -6.322 -5.043 1.00 0.27 N ATOM 393 CA GLY A 21 9.681 -7.532 -5.503 1.00 0.32 C ATOM 394 C GLY A 21 9.410 -8.727 -4.607 1.00 0.34 C ATOM 395 O GLY A 21 10.341 -9.393 -4.152 1.00 0.65 O ATOM 0 H GLY A 21 8.052 -6.225 -5.330 1.00 0.27 H new ATOM 0 HA2 GLY A 21 9.345 -7.759 -6.515 1.00 0.32 H new ATOM 0 HA3 GLY A 21 10.756 -7.360 -5.555 1.00 0.32 H new ATOM 399 N LEU A 22 8.137 -9.000 -4.364 1.00 0.19 N ATOM 400 CA LEU A 22 7.721 -10.136 -3.548 1.00 0.16 C ATOM 401 C LEU A 22 6.209 -10.295 -3.687 1.00 0.17 C ATOM 402 O LEU A 22 5.520 -9.331 -4.009 1.00 0.19 O ATOM 403 CB LEU A 22 8.108 -9.918 -2.071 1.00 0.14 C ATOM 404 CG LEU A 22 8.434 -11.182 -1.246 1.00 0.15 C ATOM 405 CD1 LEU A 22 8.686 -12.384 -2.140 1.00 0.19 C ATOM 406 CD2 LEU A 22 9.655 -10.950 -0.374 1.00 0.18 C ATOM 0 H LEU A 22 7.363 -8.443 -4.725 1.00 0.19 H new ATOM 0 HA LEU A 22 8.225 -11.040 -3.889 1.00 0.16 H new ATOM 0 HB2 LEU A 22 8.975 -9.258 -2.040 1.00 0.14 H new ATOM 0 HB3 LEU A 22 7.290 -9.392 -1.579 1.00 0.14 H new ATOM 0 HG LEU A 22 7.566 -11.388 -0.619 1.00 0.15 H new ATOM 0 HD11 LEU A 22 8.912 -13.254 -1.524 1.00 0.19 H new ATOM 0 HD12 LEU A 22 7.798 -12.584 -2.739 1.00 0.19 H new ATOM 0 HD13 LEU A 22 9.529 -12.177 -2.799 1.00 0.19 H new ATOM 0 HD21 LEU A 22 9.869 -11.852 0.200 1.00 0.18 H new ATOM 0 HD22 LEU A 22 10.511 -10.709 -1.004 1.00 0.18 H new ATOM 0 HD23 LEU A 22 9.462 -10.123 0.309 1.00 0.18 H new ATOM 418 N ASP A 23 5.707 -11.502 -3.471 1.00 0.18 N ATOM 419 CA ASP A 23 4.269 -11.774 -3.545 1.00 0.21 C ATOM 420 C ASP A 23 3.959 -13.182 -3.102 1.00 0.23 C ATOM 421 O ASP A 23 4.253 -14.126 -3.818 1.00 0.26 O ATOM 422 CB ASP A 23 3.707 -11.577 -4.963 1.00 0.29 C ATOM 423 CG ASP A 23 4.414 -12.394 -6.039 1.00 1.05 C ATOM 424 OD1 ASP A 23 5.620 -12.164 -6.282 1.00 1.77 O ATOM 425 OD2 ASP A 23 3.765 -13.268 -6.656 1.00 1.13 O ATOM 0 H ASP A 23 6.275 -12.318 -3.241 1.00 0.18 H new ATOM 0 HA ASP A 23 3.794 -11.056 -2.876 1.00 0.21 H new ATOM 0 HB2 ASP A 23 2.649 -11.839 -4.961 1.00 0.29 H new ATOM 0 HB3 ASP A 23 3.773 -10.521 -5.224 1.00 0.29 H new ATOM 430 N LYS A 24 3.365 -13.294 -1.913 1.00 0.23 N ATOM 431 CA LYS A 24 2.811 -14.547 -1.353 1.00 0.28 C ATOM 432 C LYS A 24 3.700 -15.795 -1.499 1.00 0.28 C ATOM 433 O LYS A 24 3.273 -16.897 -1.166 1.00 0.34 O ATOM 434 CB LYS A 24 1.433 -14.823 -1.966 1.00 0.35 C ATOM 435 CG LYS A 24 1.446 -14.961 -3.481 1.00 0.37 C ATOM 436 CD LYS A 24 1.164 -16.386 -3.919 1.00 0.43 C ATOM 437 CE LYS A 24 2.387 -17.037 -4.537 1.00 0.50 C ATOM 438 NZ LYS A 24 2.107 -18.425 -4.986 1.00 1.42 N ATOM 0 H LYS A 24 3.248 -12.497 -1.287 1.00 0.23 H new ATOM 0 HA LYS A 24 2.746 -14.370 -0.280 1.00 0.28 H new ATOM 0 HB2 LYS A 24 1.030 -15.738 -1.532 1.00 0.35 H new ATOM 0 HB3 LYS A 24 0.756 -14.014 -1.691 1.00 0.35 H new ATOM 0 HG2 LYS A 24 0.701 -14.294 -3.913 1.00 0.37 H new ATOM 0 HG3 LYS A 24 2.416 -14.647 -3.866 1.00 0.37 H new ATOM 0 HD2 LYS A 24 0.835 -16.972 -3.061 1.00 0.43 H new ATOM 0 HD3 LYS A 24 0.347 -16.390 -4.640 1.00 0.43 H new ATOM 0 HE2 LYS A 24 2.726 -16.442 -5.385 1.00 0.50 H new ATOM 0 HE3 LYS A 24 3.199 -17.047 -3.810 1.00 0.50 H new ATOM 0 HZ1 LYS A 24 2.967 -18.835 -5.402 1.00 1.42 H new ATOM 0 HZ2 LYS A 24 1.808 -19.000 -4.172 1.00 1.42 H new ATOM 0 HZ3 LYS A 24 1.349 -18.413 -5.698 1.00 1.42 H new ATOM 452 N ASN A 25 4.923 -15.632 -1.964 1.00 0.25 N ATOM 453 CA ASN A 25 5.862 -16.737 -2.022 1.00 0.28 C ATOM 454 C ASN A 25 6.664 -16.741 -0.744 1.00 0.25 C ATOM 455 O ASN A 25 7.119 -17.775 -0.260 1.00 0.31 O ATOM 456 CB ASN A 25 6.822 -16.618 -3.211 1.00 0.31 C ATOM 457 CG ASN A 25 6.178 -16.930 -4.549 1.00 0.35 C ATOM 458 OD1 ASN A 25 6.164 -18.075 -4.997 1.00 0.40 O ATOM 459 ND2 ASN A 25 5.659 -15.912 -5.203 1.00 0.37 N ATOM 0 H ASN A 25 5.291 -14.745 -2.308 1.00 0.25 H new ATOM 0 HA ASN A 25 5.298 -17.661 -2.145 1.00 0.28 H new ATOM 0 HB2 ASN A 25 7.227 -15.606 -3.240 1.00 0.31 H new ATOM 0 HB3 ASN A 25 7.663 -17.294 -3.056 1.00 0.31 H new ATOM 0 HD21 ASN A 25 5.226 -16.059 -6.115 1.00 0.37 H new ATOM 0 HD22 ASN A 25 5.690 -14.976 -4.798 1.00 0.37 H new ATOM 466 N ALA A 26 6.823 -15.543 -0.218 1.00 0.20 N ATOM 467 CA ALA A 26 7.553 -15.312 1.002 1.00 0.19 C ATOM 468 C ALA A 26 6.643 -15.435 2.192 1.00 0.19 C ATOM 469 O ALA A 26 5.418 -15.358 2.076 1.00 0.24 O ATOM 470 CB ALA A 26 8.175 -13.938 0.962 1.00 0.18 C ATOM 0 H ALA A 26 6.442 -14.694 -0.635 1.00 0.20 H new ATOM 0 HA ALA A 26 8.338 -16.062 1.094 1.00 0.19 H new ATOM 0 HB1 ALA A 26 8.728 -13.762 1.885 1.00 0.18 H new ATOM 0 HB2 ALA A 26 8.855 -13.871 0.113 1.00 0.18 H new ATOM 0 HB3 ALA A 26 7.392 -13.187 0.859 1.00 0.18 H new ATOM 476 N THR A 27 7.258 -15.647 3.324 1.00 0.21 N ATOM 477 CA THR A 27 6.558 -15.700 4.578 1.00 0.24 C ATOM 478 C THR A 27 6.249 -14.286 5.035 1.00 0.21 C ATOM 479 O THR A 27 6.575 -13.317 4.337 1.00 0.21 O ATOM 480 CB THR A 27 7.429 -16.407 5.626 1.00 0.30 C ATOM 481 OG1 THR A 27 8.508 -15.554 6.025 1.00 0.33 O ATOM 482 CG2 THR A 27 8.008 -17.680 5.041 1.00 0.35 C ATOM 0 H THR A 27 8.265 -15.789 3.402 1.00 0.21 H new ATOM 0 HA THR A 27 5.628 -16.255 4.456 1.00 0.24 H new ATOM 0 HB THR A 27 6.808 -16.644 6.490 1.00 0.30 H new ATOM 0 HG1 THR A 27 9.280 -16.101 6.281 1.00 0.33 H new ATOM 0 HG21 THR A 27 8.625 -18.177 5.790 1.00 0.35 H new ATOM 0 HG22 THR A 27 7.197 -18.344 4.740 1.00 0.35 H new ATOM 0 HG23 THR A 27 8.619 -17.436 4.172 1.00 0.35 H new ATOM 490 N SER A 28 5.636 -14.159 6.195 1.00 0.26 N ATOM 491 CA SER A 28 5.402 -12.854 6.778 1.00 0.32 C ATOM 492 C SER A 28 6.722 -12.168 7.103 1.00 0.31 C ATOM 493 O SER A 28 6.763 -10.980 7.385 1.00 0.41 O ATOM 494 CB SER A 28 4.510 -12.970 8.015 1.00 0.40 C ATOM 495 OG SER A 28 4.854 -14.110 8.789 1.00 1.54 O ATOM 0 H SER A 28 5.292 -14.942 6.751 1.00 0.26 H new ATOM 0 HA SER A 28 4.878 -12.235 6.049 1.00 0.32 H new ATOM 0 HB2 SER A 28 4.608 -12.071 8.623 1.00 0.40 H new ATOM 0 HB3 SER A 28 3.466 -13.036 7.709 1.00 0.40 H new ATOM 0 HG SER A 28 4.270 -14.160 9.575 1.00 1.54 H new ATOM 501 N ASP A 29 7.796 -12.931 7.059 1.00 0.27 N ATOM 502 CA ASP A 29 9.119 -12.394 7.314 1.00 0.34 C ATOM 503 C ASP A 29 9.714 -11.747 6.062 1.00 0.32 C ATOM 504 O ASP A 29 10.074 -10.571 6.091 1.00 0.44 O ATOM 505 CB ASP A 29 10.058 -13.482 7.833 1.00 0.38 C ATOM 506 CG ASP A 29 11.469 -12.970 8.043 1.00 0.97 C ATOM 507 OD1 ASP A 29 11.683 -12.168 8.971 1.00 0.96 O ATOM 508 OD2 ASP A 29 12.375 -13.373 7.285 1.00 1.68 O ATOM 0 H ASP A 29 7.779 -13.929 6.848 1.00 0.27 H new ATOM 0 HA ASP A 29 9.012 -11.624 8.078 1.00 0.34 H new ATOM 0 HB2 ASP A 29 9.672 -13.874 8.774 1.00 0.38 H new ATOM 0 HB3 ASP A 29 10.076 -14.311 7.126 1.00 0.38 H new ATOM 513 N ASP A 30 9.788 -12.489 4.949 1.00 0.22 N ATOM 514 CA ASP A 30 10.527 -12.000 3.783 1.00 0.21 C ATOM 515 C ASP A 30 9.809 -10.842 3.112 1.00 0.16 C ATOM 516 O ASP A 30 10.434 -9.847 2.748 1.00 0.17 O ATOM 517 CB ASP A 30 10.787 -13.123 2.777 1.00 0.23 C ATOM 518 CG ASP A 30 11.928 -14.030 3.190 1.00 0.89 C ATOM 519 OD1 ASP A 30 13.070 -13.538 3.310 1.00 1.22 O ATOM 520 OD2 ASP A 30 11.690 -15.235 3.417 1.00 1.81 O ATOM 0 H ASP A 30 9.357 -13.406 4.834 1.00 0.22 H new ATOM 0 HA ASP A 30 11.489 -11.636 4.144 1.00 0.21 H new ATOM 0 HB2 ASP A 30 9.881 -13.717 2.661 1.00 0.23 H new ATOM 0 HB3 ASP A 30 11.010 -12.687 1.803 1.00 0.23 H new ATOM 525 N ILE A 31 8.501 -10.973 2.948 1.00 0.14 N ATOM 526 CA ILE A 31 7.683 -9.919 2.372 1.00 0.14 C ATOM 527 C ILE A 31 7.850 -8.580 3.100 1.00 0.14 C ATOM 528 O ILE A 31 7.938 -7.528 2.464 1.00 0.16 O ATOM 529 CB ILE A 31 6.215 -10.351 2.338 1.00 0.21 C ATOM 530 CG1 ILE A 31 6.062 -11.379 1.228 1.00 0.38 C ATOM 531 CG2 ILE A 31 5.292 -9.163 2.113 1.00 0.16 C ATOM 532 CD1 ILE A 31 4.821 -12.203 1.328 1.00 0.42 C ATOM 0 H ILE A 31 7.980 -11.810 3.210 1.00 0.14 H new ATOM 0 HA ILE A 31 8.029 -9.758 1.351 1.00 0.14 H new ATOM 0 HB ILE A 31 5.933 -10.785 3.297 1.00 0.21 H new ATOM 0 HG12 ILE A 31 6.067 -10.864 0.267 1.00 0.38 H new ATOM 0 HG13 ILE A 31 6.927 -12.042 1.239 1.00 0.38 H new ATOM 0 HG21 ILE A 31 4.257 -9.505 2.094 1.00 0.16 H new ATOM 0 HG22 ILE A 31 5.422 -8.443 2.921 1.00 0.16 H new ATOM 0 HG23 ILE A 31 5.535 -8.689 1.162 1.00 0.16 H new ATOM 0 HD11 ILE A 31 4.787 -12.911 0.500 1.00 0.42 H new ATOM 0 HD12 ILE A 31 4.821 -12.748 2.272 1.00 0.42 H new ATOM 0 HD13 ILE A 31 3.948 -11.552 1.285 1.00 0.42 H new ATOM 544 N LYS A 32 7.926 -8.619 4.427 1.00 0.17 N ATOM 545 CA LYS A 32 8.096 -7.395 5.204 1.00 0.21 C ATOM 546 C LYS A 32 9.468 -6.780 4.951 1.00 0.20 C ATOM 547 O LYS A 32 9.591 -5.566 4.783 1.00 0.21 O ATOM 548 CB LYS A 32 7.910 -7.656 6.699 1.00 0.29 C ATOM 549 CG LYS A 32 6.529 -8.171 7.047 1.00 0.33 C ATOM 550 CD LYS A 32 5.442 -7.288 6.466 1.00 0.35 C ATOM 551 CE LYS A 32 4.070 -7.901 6.642 1.00 0.43 C ATOM 552 NZ LYS A 32 3.710 -8.083 8.074 1.00 0.88 N ATOM 0 H LYS A 32 7.873 -9.473 4.982 1.00 0.17 H new ATOM 0 HA LYS A 32 7.328 -6.692 4.880 1.00 0.21 H new ATOM 0 HB2 LYS A 32 8.655 -8.380 7.030 1.00 0.29 H new ATOM 0 HB3 LYS A 32 8.096 -6.733 7.248 1.00 0.29 H new ATOM 0 HG2 LYS A 32 6.413 -9.187 6.670 1.00 0.33 H new ATOM 0 HG3 LYS A 32 6.420 -8.218 8.130 1.00 0.33 H new ATOM 0 HD2 LYS A 32 5.469 -6.311 6.950 1.00 0.35 H new ATOM 0 HD3 LYS A 32 5.634 -7.124 5.406 1.00 0.35 H new ATOM 0 HE2 LYS A 32 3.327 -7.265 6.161 1.00 0.43 H new ATOM 0 HE3 LYS A 32 4.039 -8.866 6.137 1.00 0.43 H new ATOM 0 HZ1 LYS A 32 2.731 -8.426 8.145 1.00 0.88 H new ATOM 0 HZ2 LYS A 32 4.352 -8.776 8.508 1.00 0.88 H new ATOM 0 HZ3 LYS A 32 3.795 -7.174 8.572 1.00 0.88 H new ATOM 566 N LYS A 33 10.488 -7.629 4.915 1.00 0.21 N ATOM 567 CA LYS A 33 11.857 -7.188 4.654 1.00 0.22 C ATOM 568 C LYS A 33 11.972 -6.613 3.249 1.00 0.19 C ATOM 569 O LYS A 33 12.642 -5.599 3.037 1.00 0.19 O ATOM 570 CB LYS A 33 12.826 -8.363 4.788 1.00 0.28 C ATOM 571 CG LYS A 33 12.728 -9.106 6.108 1.00 0.35 C ATOM 572 CD LYS A 33 13.092 -8.218 7.282 1.00 0.49 C ATOM 573 CE LYS A 33 13.040 -8.980 8.597 1.00 0.62 C ATOM 574 NZ LYS A 33 13.927 -10.173 8.587 1.00 1.41 N ATOM 0 H LYS A 33 10.394 -8.634 5.064 1.00 0.21 H new ATOM 0 HA LYS A 33 12.109 -6.419 5.384 1.00 0.22 H new ATOM 0 HB2 LYS A 33 12.642 -9.065 3.975 1.00 0.28 H new ATOM 0 HB3 LYS A 33 13.845 -7.994 4.667 1.00 0.28 H new ATOM 0 HG2 LYS A 33 11.714 -9.483 6.238 1.00 0.35 H new ATOM 0 HG3 LYS A 33 13.390 -9.972 6.088 1.00 0.35 H new ATOM 0 HD2 LYS A 33 14.093 -7.812 7.135 1.00 0.49 H new ATOM 0 HD3 LYS A 33 12.407 -7.371 7.324 1.00 0.49 H new ATOM 0 HE2 LYS A 33 13.333 -8.317 9.411 1.00 0.62 H new ATOM 0 HE3 LYS A 33 12.015 -9.293 8.794 1.00 0.62 H new ATOM 0 HZ1 LYS A 33 14.475 -10.206 9.470 1.00 1.41 H new ATOM 0 HZ2 LYS A 33 13.350 -11.034 8.506 1.00 1.41 H new ATOM 0 HZ3 LYS A 33 14.578 -10.115 7.778 1.00 1.41 H new ATOM 588 N SER A 34 11.309 -7.273 2.302 1.00 0.18 N ATOM 589 CA SER A 34 11.298 -6.837 0.911 1.00 0.18 C ATOM 590 C SER A 34 10.793 -5.411 0.811 1.00 0.19 C ATOM 591 O SER A 34 11.220 -4.651 -0.052 1.00 0.30 O ATOM 592 CB SER A 34 10.408 -7.746 0.062 1.00 0.21 C ATOM 593 OG SER A 34 10.535 -7.439 -1.316 1.00 0.26 O ATOM 0 H SER A 34 10.768 -8.120 2.477 1.00 0.18 H new ATOM 0 HA SER A 34 12.320 -6.890 0.536 1.00 0.18 H new ATOM 0 HB2 SER A 34 10.679 -8.788 0.232 1.00 0.21 H new ATOM 0 HB3 SER A 34 9.368 -7.633 0.369 1.00 0.21 H new ATOM 0 HG SER A 34 9.662 -7.175 -1.674 1.00 0.26 H new ATOM 599 N TYR A 35 9.868 -5.064 1.687 1.00 0.17 N ATOM 600 CA TYR A 35 9.380 -3.707 1.773 1.00 0.18 C ATOM 601 C TYR A 35 10.434 -2.810 2.382 1.00 0.18 C ATOM 602 O TYR A 35 10.755 -1.778 1.840 1.00 0.26 O ATOM 603 CB TYR A 35 8.114 -3.639 2.624 1.00 0.22 C ATOM 604 CG TYR A 35 7.834 -2.257 3.184 1.00 0.24 C ATOM 605 CD1 TYR A 35 7.339 -1.241 2.374 1.00 0.33 C ATOM 606 CD2 TYR A 35 8.064 -1.970 4.517 1.00 0.29 C ATOM 607 CE1 TYR A 35 7.091 0.020 2.880 1.00 0.40 C ATOM 608 CE2 TYR A 35 7.814 -0.714 5.031 1.00 0.38 C ATOM 609 CZ TYR A 35 7.312 0.273 4.210 1.00 0.42 C ATOM 610 OH TYR A 35 7.096 1.531 4.722 1.00 0.51 O ATOM 0 H TYR A 35 9.440 -5.710 2.351 1.00 0.17 H new ATOM 0 HA TYR A 35 9.149 -3.369 0.763 1.00 0.18 H new ATOM 0 HB2 TYR A 35 7.263 -3.957 2.021 1.00 0.22 H new ATOM 0 HB3 TYR A 35 8.202 -4.346 3.449 1.00 0.22 H new ATOM 0 HD1 TYR A 35 7.145 -1.441 1.331 1.00 0.33 H new ATOM 0 HD2 TYR A 35 8.446 -2.743 5.168 1.00 0.29 H new ATOM 0 HE1 TYR A 35 6.725 0.803 2.232 1.00 0.40 H new ATOM 0 HE2 TYR A 35 8.011 -0.505 6.072 1.00 0.38 H new ATOM 0 HH TYR A 35 7.301 1.534 5.680 1.00 0.51 H new ATOM 620 N ARG A 36 10.974 -3.242 3.502 1.00 0.16 N ATOM 621 CA ARG A 36 11.810 -2.393 4.342 1.00 0.19 C ATOM 622 C ARG A 36 13.063 -1.911 3.630 1.00 0.21 C ATOM 623 O ARG A 36 13.213 -0.720 3.393 1.00 0.23 O ATOM 624 CB ARG A 36 12.203 -3.121 5.614 1.00 0.25 C ATOM 625 CG ARG A 36 11.022 -3.405 6.510 1.00 0.29 C ATOM 626 CD ARG A 36 11.463 -3.884 7.875 1.00 0.42 C ATOM 627 NE ARG A 36 10.327 -4.295 8.699 1.00 0.83 N ATOM 628 CZ ARG A 36 10.353 -5.330 9.541 1.00 1.30 C ATOM 629 NH1 ARG A 36 11.477 -6.021 9.719 1.00 1.53 N ATOM 630 NH2 ARG A 36 9.259 -5.663 10.218 1.00 1.74 N ATOM 0 H ARG A 36 10.850 -4.189 3.860 1.00 0.16 H new ATOM 0 HA ARG A 36 11.210 -1.516 4.585 1.00 0.19 H new ATOM 0 HB2 ARG A 36 12.691 -4.060 5.354 1.00 0.25 H new ATOM 0 HB3 ARG A 36 12.933 -2.523 6.160 1.00 0.25 H new ATOM 0 HG2 ARG A 36 10.420 -2.503 6.617 1.00 0.29 H new ATOM 0 HG3 ARG A 36 10.386 -4.159 6.047 1.00 0.29 H new ATOM 0 HD2 ARG A 36 12.152 -4.721 7.761 1.00 0.42 H new ATOM 0 HD3 ARG A 36 12.010 -3.088 8.381 1.00 0.42 H new ATOM 0 HE ARG A 36 9.463 -3.758 8.626 1.00 0.83 H new ATOM 0 HH11 ARG A 36 12.322 -5.760 9.211 1.00 1.53 H new ATOM 0 HH12 ARG A 36 11.493 -6.811 10.363 1.00 1.53 H new ATOM 0 HH21 ARG A 36 8.400 -5.128 10.094 1.00 1.74 H new ATOM 0 HH22 ARG A 36 9.279 -6.454 10.862 1.00 1.74 H new ATOM 644 N LYS A 37 13.947 -2.838 3.274 1.00 0.35 N ATOM 645 CA LYS A 37 15.236 -2.480 2.665 1.00 0.45 C ATOM 646 C LYS A 37 15.026 -1.695 1.371 1.00 0.40 C ATOM 647 O LYS A 37 15.913 -0.987 0.899 1.00 0.43 O ATOM 648 CB LYS A 37 16.060 -3.740 2.379 1.00 0.67 C ATOM 649 CG LYS A 37 15.429 -4.664 1.348 1.00 0.78 C ATOM 650 CD LYS A 37 16.273 -5.904 1.110 1.00 1.04 C ATOM 651 CE LYS A 37 15.672 -6.783 0.027 1.00 0.85 C ATOM 652 NZ LYS A 37 16.431 -8.049 -0.149 1.00 1.37 N ATOM 0 H LYS A 37 13.801 -3.840 3.394 1.00 0.35 H new ATOM 0 HA LYS A 37 15.779 -1.851 3.370 1.00 0.45 H new ATOM 0 HB2 LYS A 37 17.050 -3.445 2.031 1.00 0.67 H new ATOM 0 HB3 LYS A 37 16.200 -4.290 3.309 1.00 0.67 H new ATOM 0 HG2 LYS A 37 14.435 -4.960 1.685 1.00 0.78 H new ATOM 0 HG3 LYS A 37 15.300 -4.126 0.409 1.00 0.78 H new ATOM 0 HD2 LYS A 37 17.283 -5.609 0.823 1.00 1.04 H new ATOM 0 HD3 LYS A 37 16.358 -6.472 2.037 1.00 1.04 H new ATOM 0 HE2 LYS A 37 14.637 -7.013 0.280 1.00 0.85 H new ATOM 0 HE3 LYS A 37 15.656 -6.236 -0.916 1.00 0.85 H new ATOM 0 HZ1 LYS A 37 15.987 -8.619 -0.897 1.00 1.37 H new ATOM 0 HZ2 LYS A 37 17.412 -7.831 -0.416 1.00 1.37 H new ATOM 0 HZ3 LYS A 37 16.425 -8.584 0.743 1.00 1.37 H new ATOM 666 N LEU A 38 13.839 -1.845 0.823 1.00 0.45 N ATOM 667 CA LEU A 38 13.440 -1.210 -0.412 1.00 0.61 C ATOM 668 C LEU A 38 12.763 0.133 -0.107 1.00 0.60 C ATOM 669 O LEU A 38 12.830 1.090 -0.875 1.00 0.76 O ATOM 670 CB LEU A 38 12.548 -2.237 -1.128 1.00 1.00 C ATOM 671 CG LEU A 38 11.440 -1.767 -2.071 1.00 0.27 C ATOM 672 CD1 LEU A 38 10.265 -1.254 -1.265 1.00 0.57 C ATOM 673 CD2 LEU A 38 11.946 -0.731 -3.065 1.00 0.44 C ATOM 0 H LEU A 38 13.109 -2.426 1.235 1.00 0.45 H new ATOM 0 HA LEU A 38 14.271 -0.951 -1.068 1.00 0.61 H new ATOM 0 HB2 LEU A 38 13.205 -2.892 -1.701 1.00 1.00 H new ATOM 0 HB3 LEU A 38 12.079 -2.850 -0.359 1.00 1.00 H new ATOM 0 HG LEU A 38 11.104 -2.618 -2.664 1.00 0.27 H new ATOM 0 HD11 LEU A 38 9.478 -0.920 -1.941 1.00 0.57 H new ATOM 0 HD12 LEU A 38 9.883 -2.053 -0.630 1.00 0.57 H new ATOM 0 HD13 LEU A 38 10.587 -0.419 -0.643 1.00 0.57 H new ATOM 0 HD21 LEU A 38 11.129 -0.423 -3.717 1.00 0.44 H new ATOM 0 HD22 LEU A 38 12.326 0.136 -2.525 1.00 0.44 H new ATOM 0 HD23 LEU A 38 12.746 -1.164 -3.666 1.00 0.44 H new ATOM 685 N ALA A 39 12.138 0.186 1.039 1.00 0.49 N ATOM 686 CA ALA A 39 11.416 1.366 1.488 1.00 0.59 C ATOM 687 C ALA A 39 12.347 2.525 1.775 1.00 0.57 C ATOM 688 O ALA A 39 12.232 3.580 1.149 1.00 0.72 O ATOM 689 CB ALA A 39 10.582 1.054 2.716 1.00 0.59 C ATOM 0 H ALA A 39 12.110 -0.591 1.699 1.00 0.49 H new ATOM 0 HA ALA A 39 10.754 1.662 0.674 1.00 0.59 H new ATOM 0 HB1 ALA A 39 10.051 1.952 3.033 1.00 0.59 H new ATOM 0 HB2 ALA A 39 9.861 0.272 2.477 1.00 0.59 H new ATOM 0 HB3 ALA A 39 11.233 0.714 3.521 1.00 0.59 H new ATOM 695 N LEU A 40 13.278 2.349 2.710 1.00 0.44 N ATOM 696 CA LEU A 40 14.158 3.461 3.063 1.00 0.51 C ATOM 697 C LEU A 40 15.058 3.877 1.899 1.00 0.46 C ATOM 698 O LEU A 40 15.663 4.943 1.944 1.00 0.58 O ATOM 699 CB LEU A 40 14.989 3.231 4.353 1.00 0.56 C ATOM 700 CG LEU A 40 15.639 1.856 4.602 1.00 0.51 C ATOM 701 CD1 LEU A 40 14.658 0.913 5.275 1.00 0.48 C ATOM 702 CD2 LEU A 40 16.183 1.239 3.321 1.00 0.44 C ATOM 0 H LEU A 40 13.440 1.481 3.221 1.00 0.44 H new ATOM 0 HA LEU A 40 13.482 4.286 3.285 1.00 0.51 H new ATOM 0 HB2 LEU A 40 15.785 3.976 4.366 1.00 0.56 H new ATOM 0 HB3 LEU A 40 14.340 3.444 5.202 1.00 0.56 H new ATOM 0 HG LEU A 40 16.486 2.016 5.269 1.00 0.51 H new ATOM 0 HD11 LEU A 40 15.137 -0.052 5.442 1.00 0.48 H new ATOM 0 HD12 LEU A 40 14.347 1.334 6.231 1.00 0.48 H new ATOM 0 HD13 LEU A 40 13.785 0.779 4.636 1.00 0.48 H new ATOM 0 HD21 LEU A 40 16.632 0.271 3.545 1.00 0.44 H new ATOM 0 HD22 LEU A 40 15.370 1.105 2.608 1.00 0.44 H new ATOM 0 HD23 LEU A 40 16.938 1.898 2.892 1.00 0.44 H new ATOM 714 N LYS A 41 15.110 3.082 0.830 1.00 0.37 N ATOM 715 CA LYS A 41 15.961 3.440 -0.297 1.00 0.40 C ATOM 716 C LYS A 41 15.198 4.295 -1.304 1.00 0.39 C ATOM 717 O LYS A 41 15.779 4.846 -2.237 1.00 0.48 O ATOM 718 CB LYS A 41 16.637 2.212 -0.933 1.00 0.51 C ATOM 719 CG LYS A 41 15.718 1.122 -1.451 1.00 0.62 C ATOM 720 CD LYS A 41 15.129 1.443 -2.815 1.00 0.65 C ATOM 721 CE LYS A 41 15.038 0.205 -3.692 1.00 0.72 C ATOM 722 NZ LYS A 41 16.373 -0.370 -4.001 1.00 1.41 N ATOM 0 H LYS A 41 14.589 2.212 0.724 1.00 0.37 H new ATOM 0 HA LYS A 41 16.779 4.052 0.083 1.00 0.40 H new ATOM 0 HB2 LYS A 41 17.258 2.556 -1.760 1.00 0.51 H new ATOM 0 HB3 LYS A 41 17.306 1.771 -0.194 1.00 0.51 H new ATOM 0 HG2 LYS A 41 16.272 0.185 -1.511 1.00 0.62 H new ATOM 0 HG3 LYS A 41 14.908 0.968 -0.738 1.00 0.62 H new ATOM 0 HD2 LYS A 41 14.136 1.875 -2.690 1.00 0.65 H new ATOM 0 HD3 LYS A 41 15.744 2.195 -3.309 1.00 0.65 H new ATOM 0 HE2 LYS A 41 14.428 -0.547 -3.192 1.00 0.72 H new ATOM 0 HE3 LYS A 41 14.531 0.459 -4.623 1.00 0.72 H new ATOM 0 HZ1 LYS A 41 16.318 -0.921 -4.881 1.00 1.41 H new ATOM 0 HZ2 LYS A 41 17.064 0.399 -4.117 1.00 1.41 H new ATOM 0 HZ3 LYS A 41 16.673 -0.990 -3.222 1.00 1.41 H new ATOM 736 N TYR A 42 13.889 4.404 -1.103 1.00 0.36 N ATOM 737 CA TYR A 42 13.071 5.360 -1.844 1.00 0.36 C ATOM 738 C TYR A 42 12.685 6.528 -0.949 1.00 0.40 C ATOM 739 O TYR A 42 11.856 7.358 -1.311 1.00 0.40 O ATOM 740 CB TYR A 42 11.802 4.706 -2.387 1.00 0.33 C ATOM 741 CG TYR A 42 11.997 4.002 -3.705 1.00 0.36 C ATOM 742 CD1 TYR A 42 12.008 4.708 -4.894 1.00 0.38 C ATOM 743 CD2 TYR A 42 12.171 2.628 -3.756 1.00 0.38 C ATOM 744 CE1 TYR A 42 12.188 4.066 -6.103 1.00 0.44 C ATOM 745 CE2 TYR A 42 12.351 1.976 -4.960 1.00 0.43 C ATOM 746 CZ TYR A 42 12.352 2.712 -6.139 1.00 0.45 C ATOM 747 OH TYR A 42 12.540 2.057 -7.335 1.00 0.52 O ATOM 0 H TYR A 42 13.369 3.840 -0.431 1.00 0.36 H new ATOM 0 HA TYR A 42 13.666 5.718 -2.684 1.00 0.36 H new ATOM 0 HB2 TYR A 42 11.432 3.989 -1.654 1.00 0.33 H new ATOM 0 HB3 TYR A 42 11.032 5.469 -2.504 1.00 0.33 H new ATOM 0 HD1 TYR A 42 11.874 5.779 -4.877 1.00 0.38 H new ATOM 0 HD2 TYR A 42 12.166 2.058 -2.839 1.00 0.38 H new ATOM 0 HE1 TYR A 42 12.199 4.636 -7.020 1.00 0.44 H new ATOM 0 HE2 TYR A 42 12.490 0.905 -4.985 1.00 0.43 H new ATOM 0 HH TYR A 42 12.640 1.096 -7.170 1.00 0.52 H new ATOM 757 N HIS A 43 13.291 6.587 0.226 1.00 0.46 N ATOM 758 CA HIS A 43 12.987 7.638 1.180 1.00 0.53 C ATOM 759 C HIS A 43 13.642 8.943 0.745 1.00 0.56 C ATOM 760 O HIS A 43 14.863 9.008 0.628 1.00 0.62 O ATOM 761 CB HIS A 43 13.482 7.251 2.578 1.00 0.62 C ATOM 762 CG HIS A 43 12.504 7.559 3.673 1.00 0.71 C ATOM 763 ND1 HIS A 43 12.871 7.712 4.994 1.00 1.17 N ATOM 764 CD2 HIS A 43 11.161 7.721 3.639 1.00 0.87 C ATOM 765 CE1 HIS A 43 11.797 7.953 5.722 1.00 1.12 C ATOM 766 NE2 HIS A 43 10.749 7.963 4.923 1.00 0.87 N ATOM 0 H HIS A 43 13.995 5.920 0.541 1.00 0.46 H new ATOM 0 HA HIS A 43 11.906 7.773 1.214 1.00 0.53 H new ATOM 0 HB2 HIS A 43 13.705 6.184 2.592 1.00 0.62 H new ATOM 0 HB3 HIS A 43 14.416 7.774 2.780 1.00 0.62 H new ATOM 0 HD2 HIS A 43 10.531 7.669 2.763 1.00 0.87 H new ATOM 0 HE1 HIS A 43 11.780 8.114 6.790 1.00 1.12 H new ATOM 0 HE2 HIS A 43 9.785 8.125 5.214 1.00 0.87 H new ATOM 775 N PRO A 44 12.844 9.995 0.490 1.00 0.54 N ATOM 776 CA PRO A 44 13.362 11.326 0.124 1.00 0.58 C ATOM 777 C PRO A 44 14.318 11.871 1.177 1.00 0.68 C ATOM 778 O PRO A 44 15.171 12.711 0.891 1.00 0.72 O ATOM 779 CB PRO A 44 12.108 12.202 0.043 1.00 0.58 C ATOM 780 CG PRO A 44 11.042 11.425 0.738 1.00 0.57 C ATOM 781 CD PRO A 44 11.377 9.980 0.520 1.00 0.51 C ATOM 0 HA PRO A 44 13.930 11.298 -0.806 1.00 0.58 H new ATOM 0 HB2 PRO A 44 12.270 13.166 0.525 1.00 0.58 H new ATOM 0 HB3 PRO A 44 11.836 12.405 -0.993 1.00 0.58 H new ATOM 0 HG2 PRO A 44 11.015 11.663 1.801 1.00 0.57 H new ATOM 0 HG3 PRO A 44 10.058 11.663 0.333 1.00 0.57 H new ATOM 0 HD2 PRO A 44 10.994 9.349 1.322 1.00 0.51 H new ATOM 0 HD3 PRO A 44 10.956 9.602 -0.412 1.00 0.51 H new ATOM 789 N ASP A 45 14.159 11.381 2.402 1.00 0.74 N ATOM 790 CA ASP A 45 15.065 11.697 3.498 1.00 0.85 C ATOM 791 C ASP A 45 16.494 11.298 3.148 1.00 0.89 C ATOM 792 O ASP A 45 17.456 11.966 3.529 1.00 0.96 O ATOM 793 CB ASP A 45 14.622 10.957 4.758 1.00 0.92 C ATOM 794 CG ASP A 45 15.518 11.231 5.946 1.00 1.06 C ATOM 795 OD1 ASP A 45 15.569 12.393 6.403 1.00 1.11 O ATOM 796 OD2 ASP A 45 16.184 10.290 6.423 1.00 1.16 O ATOM 0 H ASP A 45 13.398 10.754 2.662 1.00 0.74 H new ATOM 0 HA ASP A 45 15.037 12.772 3.673 1.00 0.85 H new ATOM 0 HB2 ASP A 45 13.601 11.248 5.004 1.00 0.92 H new ATOM 0 HB3 ASP A 45 14.609 9.885 4.559 1.00 0.92 H new ATOM 801 N LYS A 46 16.621 10.207 2.410 1.00 0.87 N ATOM 802 CA LYS A 46 17.924 9.705 2.005 1.00 0.94 C ATOM 803 C LYS A 46 18.231 10.122 0.577 1.00 0.90 C ATOM 804 O LYS A 46 19.389 10.157 0.162 1.00 0.99 O ATOM 805 CB LYS A 46 17.968 8.181 2.102 1.00 1.00 C ATOM 806 CG LYS A 46 17.536 7.636 3.447 1.00 1.04 C ATOM 807 CD LYS A 46 17.868 6.159 3.562 1.00 1.13 C ATOM 808 CE LYS A 46 17.721 5.650 4.985 1.00 1.57 C ATOM 809 NZ LYS A 46 18.715 6.270 5.899 1.00 2.08 N ATOM 0 H LYS A 46 15.834 9.650 2.078 1.00 0.87 H new ATOM 0 HA LYS A 46 18.671 10.129 2.676 1.00 0.94 H new ATOM 0 HB2 LYS A 46 17.327 7.759 1.328 1.00 1.00 H new ATOM 0 HB3 LYS A 46 18.983 7.843 1.894 1.00 1.00 H new ATOM 0 HG2 LYS A 46 18.033 8.188 4.245 1.00 1.04 H new ATOM 0 HG3 LYS A 46 16.464 7.784 3.577 1.00 1.04 H new ATOM 0 HD2 LYS A 46 17.213 5.588 2.904 1.00 1.13 H new ATOM 0 HD3 LYS A 46 18.889 5.990 3.220 1.00 1.13 H new ATOM 0 HE2 LYS A 46 16.714 5.863 5.345 1.00 1.57 H new ATOM 0 HE3 LYS A 46 17.842 4.567 4.998 1.00 1.57 H new ATOM 0 HZ1 LYS A 46 18.808 5.689 6.757 1.00 2.08 H new ATOM 0 HZ2 LYS A 46 19.636 6.330 5.420 1.00 2.08 H new ATOM 0 HZ3 LYS A 46 18.398 7.225 6.160 1.00 2.08 H new ATOM 823 N ASN A 47 17.187 10.445 -0.168 1.00 0.79 N ATOM 824 CA ASN A 47 17.327 10.781 -1.575 1.00 0.77 C ATOM 825 C ASN A 47 16.663 12.120 -1.863 1.00 0.74 C ATOM 826 O ASN A 47 15.537 12.176 -2.361 1.00 0.66 O ATOM 827 CB ASN A 47 16.719 9.689 -2.460 1.00 0.69 C ATOM 828 CG ASN A 47 17.211 8.298 -2.101 1.00 0.74 C ATOM 829 OD1 ASN A 47 18.210 7.816 -2.635 1.00 0.83 O ATOM 830 ND2 ASN A 47 16.514 7.645 -1.180 1.00 0.71 N ATOM 0 H ASN A 47 16.229 10.482 0.180 1.00 0.79 H new ATOM 0 HA ASN A 47 18.390 10.855 -1.805 1.00 0.77 H new ATOM 0 HB2 ASN A 47 15.633 9.719 -2.372 1.00 0.69 H new ATOM 0 HB3 ASN A 47 16.960 9.897 -3.503 1.00 0.69 H new ATOM 0 HD21 ASN A 47 16.801 6.710 -0.891 1.00 0.71 H new ATOM 0 HD22 ASN A 47 15.691 8.078 -0.761 1.00 0.71 H new ATOM 837 N PRO A 48 17.337 13.213 -1.482 1.00 0.82 N ATOM 838 CA PRO A 48 16.884 14.582 -1.745 1.00 0.84 C ATOM 839 C PRO A 48 16.814 14.900 -3.234 1.00 0.84 C ATOM 840 O PRO A 48 17.439 14.218 -4.051 1.00 0.86 O ATOM 841 CB PRO A 48 17.951 15.451 -1.075 1.00 0.93 C ATOM 842 CG PRO A 48 19.147 14.573 -0.981 1.00 0.99 C ATOM 843 CD PRO A 48 18.604 13.198 -0.739 1.00 0.92 C ATOM 0 HA PRO A 48 15.875 14.748 -1.367 1.00 0.84 H new ATOM 0 HB2 PRO A 48 18.161 16.345 -1.663 1.00 0.93 H new ATOM 0 HB3 PRO A 48 17.627 15.786 -0.090 1.00 0.93 H new ATOM 0 HG2 PRO A 48 19.735 14.609 -1.898 1.00 0.99 H new ATOM 0 HG3 PRO A 48 19.803 14.886 -0.169 1.00 0.99 H new ATOM 0 HD2 PRO A 48 19.280 12.426 -1.107 1.00 0.92 H new ATOM 0 HD3 PRO A 48 18.448 13.006 0.323 1.00 0.92 H new ATOM 851 N ASP A 49 16.029 15.923 -3.572 1.00 0.85 N ATOM 852 CA ASP A 49 15.849 16.365 -4.960 1.00 0.89 C ATOM 853 C ASP A 49 15.042 15.328 -5.734 1.00 0.82 C ATOM 854 O ASP A 49 14.967 15.352 -6.961 1.00 0.88 O ATOM 855 CB ASP A 49 17.213 16.628 -5.635 1.00 0.98 C ATOM 856 CG ASP A 49 17.101 17.209 -7.037 1.00 1.08 C ATOM 857 OD1 ASP A 49 16.721 18.394 -7.172 1.00 1.20 O ATOM 858 OD2 ASP A 49 17.376 16.481 -8.016 1.00 1.09 O ATOM 0 H ASP A 49 15.499 16.470 -2.894 1.00 0.85 H new ATOM 0 HA ASP A 49 15.297 17.305 -4.961 1.00 0.89 H new ATOM 0 HB2 ASP A 49 17.790 17.312 -5.013 1.00 0.98 H new ATOM 0 HB3 ASP A 49 17.771 15.693 -5.683 1.00 0.98 H new ATOM 863 N ASN A 50 14.408 14.425 -5.002 1.00 0.74 N ATOM 864 CA ASN A 50 13.622 13.372 -5.621 1.00 0.68 C ATOM 865 C ASN A 50 12.234 13.294 -4.988 1.00 0.64 C ATOM 866 O ASN A 50 12.017 12.558 -4.024 1.00 0.61 O ATOM 867 CB ASN A 50 14.330 12.020 -5.503 1.00 0.65 C ATOM 868 CG ASN A 50 13.767 10.987 -6.455 1.00 0.64 C ATOM 869 OD1 ASN A 50 12.625 11.086 -6.908 1.00 0.83 O ATOM 870 ND2 ASN A 50 14.556 9.975 -6.751 1.00 0.74 N ATOM 0 H ASN A 50 14.423 14.401 -3.982 1.00 0.74 H new ATOM 0 HA ASN A 50 13.513 13.613 -6.678 1.00 0.68 H new ATOM 0 HB2 ASN A 50 15.394 12.152 -5.702 1.00 0.65 H new ATOM 0 HB3 ASN A 50 14.240 11.654 -4.480 1.00 0.65 H new ATOM 0 HD21 ASN A 50 14.228 9.238 -7.375 1.00 0.74 H new ATOM 0 HD22 ASN A 50 15.495 9.928 -6.356 1.00 0.74 H new ATOM 877 N PRO A 51 11.282 14.073 -5.517 1.00 0.67 N ATOM 878 CA PRO A 51 9.893 14.058 -5.059 1.00 0.68 C ATOM 879 C PRO A 51 9.171 12.812 -5.552 1.00 0.66 C ATOM 880 O PRO A 51 8.202 12.347 -4.948 1.00 0.67 O ATOM 881 CB PRO A 51 9.273 15.311 -5.692 1.00 0.78 C ATOM 882 CG PRO A 51 10.398 16.041 -6.352 1.00 0.79 C ATOM 883 CD PRO A 51 11.484 15.039 -6.596 1.00 0.73 C ATOM 0 HA PRO A 51 9.819 14.050 -3.972 1.00 0.68 H new ATOM 0 HB2 PRO A 51 8.504 15.042 -6.417 1.00 0.78 H new ATOM 0 HB3 PRO A 51 8.794 15.934 -4.936 1.00 0.78 H new ATOM 0 HG2 PRO A 51 10.070 16.490 -7.289 1.00 0.79 H new ATOM 0 HG3 PRO A 51 10.756 16.852 -5.718 1.00 0.79 H new ATOM 0 HD2 PRO A 51 11.392 14.574 -7.578 1.00 0.73 H new ATOM 0 HD3 PRO A 51 12.473 15.495 -6.551 1.00 0.73 H new ATOM 891 N GLU A 52 9.657 12.288 -6.667 1.00 0.66 N ATOM 892 CA GLU A 52 9.118 11.069 -7.257 1.00 0.67 C ATOM 893 C GLU A 52 9.334 9.886 -6.323 1.00 0.57 C ATOM 894 O GLU A 52 8.521 8.964 -6.271 1.00 0.56 O ATOM 895 CB GLU A 52 9.796 10.801 -8.599 1.00 0.72 C ATOM 896 CG GLU A 52 9.759 11.993 -9.536 1.00 0.95 C ATOM 897 CD GLU A 52 10.465 11.729 -10.848 1.00 1.28 C ATOM 898 OE1 GLU A 52 9.940 10.943 -11.664 1.00 1.53 O ATOM 899 OE2 GLU A 52 11.550 12.303 -11.072 1.00 1.66 O ATOM 0 H GLU A 52 10.434 12.694 -7.188 1.00 0.66 H new ATOM 0 HA GLU A 52 8.047 11.199 -7.413 1.00 0.67 H new ATOM 0 HB2 GLU A 52 10.834 10.517 -8.424 1.00 0.72 H new ATOM 0 HB3 GLU A 52 9.310 9.953 -9.081 1.00 0.72 H new ATOM 0 HG2 GLU A 52 8.721 12.261 -9.734 1.00 0.95 H new ATOM 0 HG3 GLU A 52 10.222 12.850 -9.046 1.00 0.95 H new ATOM 906 N ALA A 53 10.434 9.930 -5.583 1.00 0.53 N ATOM 907 CA ALA A 53 10.762 8.879 -4.627 1.00 0.46 C ATOM 908 C ALA A 53 9.697 8.770 -3.541 1.00 0.42 C ATOM 909 O ALA A 53 9.403 7.679 -3.069 1.00 0.37 O ATOM 910 CB ALA A 53 12.131 9.120 -4.012 1.00 0.47 C ATOM 0 H ALA A 53 11.118 10.686 -5.627 1.00 0.53 H new ATOM 0 HA ALA A 53 10.789 7.933 -5.167 1.00 0.46 H new ATOM 0 HB1 ALA A 53 12.356 8.324 -3.302 1.00 0.47 H new ATOM 0 HB2 ALA A 53 12.886 9.129 -4.798 1.00 0.47 H new ATOM 0 HB3 ALA A 53 12.134 10.079 -3.495 1.00 0.47 H new ATOM 916 N ALA A 54 9.111 9.903 -3.158 1.00 0.45 N ATOM 917 CA ALA A 54 8.009 9.908 -2.197 1.00 0.44 C ATOM 918 C ALA A 54 6.843 9.088 -2.719 1.00 0.43 C ATOM 919 O ALA A 54 6.203 8.342 -1.982 1.00 0.41 O ATOM 920 CB ALA A 54 7.541 11.323 -1.931 1.00 0.51 C ATOM 0 H ALA A 54 9.380 10.827 -3.497 1.00 0.45 H new ATOM 0 HA ALA A 54 8.373 9.468 -1.268 1.00 0.44 H new ATOM 0 HB1 ALA A 54 6.721 11.306 -1.214 1.00 0.51 H new ATOM 0 HB2 ALA A 54 8.366 11.909 -1.525 1.00 0.51 H new ATOM 0 HB3 ALA A 54 7.199 11.774 -2.862 1.00 0.51 H new ATOM 926 N ASP A 55 6.584 9.240 -4.006 1.00 0.46 N ATOM 927 CA ASP A 55 5.503 8.534 -4.672 1.00 0.47 C ATOM 928 C ASP A 55 5.789 7.040 -4.690 1.00 0.39 C ATOM 929 O ASP A 55 4.910 6.222 -4.420 1.00 0.36 O ATOM 930 CB ASP A 55 5.355 9.071 -6.093 1.00 0.57 C ATOM 931 CG ASP A 55 4.147 8.513 -6.814 1.00 0.63 C ATOM 932 OD1 ASP A 55 4.247 7.420 -7.406 1.00 0.66 O ATOM 933 OD2 ASP A 55 3.085 9.169 -6.791 1.00 0.72 O ATOM 0 H ASP A 55 7.117 9.857 -4.619 1.00 0.46 H new ATOM 0 HA ASP A 55 4.570 8.695 -4.131 1.00 0.47 H new ATOM 0 HB2 ASP A 55 5.281 10.158 -6.059 1.00 0.57 H new ATOM 0 HB3 ASP A 55 6.253 8.831 -6.662 1.00 0.57 H new ATOM 938 N LYS A 56 7.032 6.702 -4.997 1.00 0.39 N ATOM 939 CA LYS A 56 7.493 5.326 -4.953 1.00 0.34 C ATOM 940 C LYS A 56 7.387 4.773 -3.543 1.00 0.28 C ATOM 941 O LYS A 56 6.869 3.680 -3.326 1.00 0.26 O ATOM 942 CB LYS A 56 8.942 5.264 -5.398 1.00 0.38 C ATOM 943 CG LYS A 56 9.212 5.895 -6.751 1.00 0.48 C ATOM 944 CD LYS A 56 8.670 5.041 -7.880 1.00 0.64 C ATOM 945 CE LYS A 56 7.228 5.397 -8.218 1.00 0.83 C ATOM 946 NZ LYS A 56 6.618 4.423 -9.159 1.00 0.98 N ATOM 0 H LYS A 56 7.746 7.372 -5.282 1.00 0.39 H new ATOM 0 HA LYS A 56 6.869 4.729 -5.618 1.00 0.34 H new ATOM 0 HB2 LYS A 56 9.560 5.760 -4.650 1.00 0.38 H new ATOM 0 HB3 LYS A 56 9.255 4.220 -5.429 1.00 0.38 H new ATOM 0 HG2 LYS A 56 8.756 6.884 -6.790 1.00 0.48 H new ATOM 0 HG3 LYS A 56 10.285 6.034 -6.881 1.00 0.48 H new ATOM 0 HD2 LYS A 56 9.293 5.171 -8.765 1.00 0.64 H new ATOM 0 HD3 LYS A 56 8.728 3.989 -7.600 1.00 0.64 H new ATOM 0 HE2 LYS A 56 6.639 5.432 -7.301 1.00 0.83 H new ATOM 0 HE3 LYS A 56 7.195 6.394 -8.657 1.00 0.83 H new ATOM 0 HZ1 LYS A 56 5.720 4.804 -9.520 1.00 0.98 H new ATOM 0 HZ2 LYS A 56 7.267 4.255 -9.954 1.00 0.98 H new ATOM 0 HZ3 LYS A 56 6.439 3.527 -8.663 1.00 0.98 H new ATOM 960 N PHE A 57 7.871 5.556 -2.589 1.00 0.27 N ATOM 961 CA PHE A 57 7.864 5.169 -1.184 1.00 0.24 C ATOM 962 C PHE A 57 6.440 4.936 -0.702 1.00 0.24 C ATOM 963 O PHE A 57 6.203 4.199 0.243 1.00 0.26 O ATOM 964 CB PHE A 57 8.544 6.246 -0.328 1.00 0.27 C ATOM 965 CG PHE A 57 8.555 5.925 1.141 1.00 0.27 C ATOM 966 CD1 PHE A 57 9.421 4.970 1.650 1.00 0.31 C ATOM 967 CD2 PHE A 57 7.708 6.588 2.013 1.00 0.30 C ATOM 968 CE1 PHE A 57 9.442 4.685 3.001 1.00 0.36 C ATOM 969 CE2 PHE A 57 7.723 6.305 3.365 1.00 0.34 C ATOM 970 CZ PHE A 57 8.560 5.312 3.850 1.00 0.37 C ATOM 0 H PHE A 57 8.278 6.474 -2.765 1.00 0.27 H new ATOM 0 HA PHE A 57 8.422 4.238 -1.082 1.00 0.24 H new ATOM 0 HB2 PHE A 57 9.570 6.377 -0.671 1.00 0.27 H new ATOM 0 HB3 PHE A 57 8.033 7.197 -0.480 1.00 0.27 H new ATOM 0 HD1 PHE A 57 10.087 4.443 0.983 1.00 0.31 H new ATOM 0 HD2 PHE A 57 7.028 7.335 1.632 1.00 0.30 H new ATOM 0 HE1 PHE A 57 10.151 3.970 3.391 1.00 0.36 H new ATOM 0 HE2 PHE A 57 7.085 6.855 4.041 1.00 0.34 H new ATOM 0 HZ PHE A 57 8.520 5.031 4.892 1.00 0.37 H new ATOM 980 N LYS A 58 5.505 5.552 -1.388 1.00 0.26 N ATOM 981 CA LYS A 58 4.106 5.485 -1.028 1.00 0.28 C ATOM 982 C LYS A 58 3.443 4.204 -1.552 1.00 0.26 C ATOM 983 O LYS A 58 2.603 3.617 -0.871 1.00 0.29 O ATOM 984 CB LYS A 58 3.433 6.756 -1.546 1.00 0.32 C ATOM 985 CG LYS A 58 2.000 6.594 -2.014 1.00 0.36 C ATOM 986 CD LYS A 58 1.344 7.948 -2.246 1.00 0.52 C ATOM 987 CE LYS A 58 2.044 8.735 -3.346 1.00 0.79 C ATOM 988 NZ LYS A 58 1.796 8.151 -4.692 1.00 1.41 N ATOM 0 H LYS A 58 5.694 6.117 -2.216 1.00 0.26 H new ATOM 0 HA LYS A 58 3.995 5.435 0.055 1.00 0.28 H new ATOM 0 HB2 LYS A 58 3.456 7.506 -0.755 1.00 0.32 H new ATOM 0 HB3 LYS A 58 4.025 7.148 -2.374 1.00 0.32 H new ATOM 0 HG2 LYS A 58 1.979 6.013 -2.936 1.00 0.36 H new ATOM 0 HG3 LYS A 58 1.432 6.034 -1.271 1.00 0.36 H new ATOM 0 HD2 LYS A 58 0.297 7.804 -2.512 1.00 0.52 H new ATOM 0 HD3 LYS A 58 1.361 8.523 -1.320 1.00 0.52 H new ATOM 0 HE2 LYS A 58 1.697 9.768 -3.329 1.00 0.79 H new ATOM 0 HE3 LYS A 58 3.116 8.755 -3.151 1.00 0.79 H new ATOM 0 HZ1 LYS A 58 2.018 8.857 -5.423 1.00 1.41 H new ATOM 0 HZ2 LYS A 58 2.400 7.315 -4.824 1.00 1.41 H new ATOM 0 HZ3 LYS A 58 0.797 7.873 -4.771 1.00 1.41 H new ATOM 1002 N GLU A 59 3.833 3.756 -2.743 1.00 0.25 N ATOM 1003 CA GLU A 59 3.311 2.502 -3.288 1.00 0.24 C ATOM 1004 C GLU A 59 4.004 1.309 -2.657 1.00 0.23 C ATOM 1005 O GLU A 59 3.388 0.263 -2.447 1.00 0.25 O ATOM 1006 CB GLU A 59 3.437 2.458 -4.815 1.00 0.28 C ATOM 1007 CG GLU A 59 4.779 2.917 -5.353 1.00 0.32 C ATOM 1008 CD GLU A 59 4.807 2.956 -6.865 1.00 0.40 C ATOM 1009 OE1 GLU A 59 3.932 3.616 -7.469 1.00 0.54 O ATOM 1010 OE2 GLU A 59 5.708 2.327 -7.461 1.00 0.51 O ATOM 0 H GLU A 59 4.502 4.236 -3.345 1.00 0.25 H new ATOM 0 HA GLU A 59 2.250 2.453 -3.042 1.00 0.24 H new ATOM 0 HB2 GLU A 59 3.256 1.437 -5.152 1.00 0.28 H new ATOM 0 HB3 GLU A 59 2.655 3.081 -5.249 1.00 0.28 H new ATOM 0 HG2 GLU A 59 5.005 3.909 -4.962 1.00 0.32 H new ATOM 0 HG3 GLU A 59 5.560 2.247 -4.994 1.00 0.32 H new ATOM 1017 N ILE A 60 5.279 1.462 -2.339 1.00 0.23 N ATOM 1018 CA ILE A 60 6.001 0.410 -1.645 1.00 0.24 C ATOM 1019 C ILE A 60 5.504 0.315 -0.215 1.00 0.24 C ATOM 1020 O ILE A 60 5.387 -0.776 0.337 1.00 0.27 O ATOM 1021 CB ILE A 60 7.529 0.624 -1.687 1.00 0.26 C ATOM 1022 CG1 ILE A 60 7.942 1.862 -0.897 1.00 0.24 C ATOM 1023 CG2 ILE A 60 7.989 0.741 -3.129 1.00 0.29 C ATOM 1024 CD1 ILE A 60 9.408 2.213 -1.039 1.00 0.28 C ATOM 0 H ILE A 60 5.830 2.295 -2.548 1.00 0.23 H new ATOM 0 HA ILE A 60 5.807 -0.531 -2.160 1.00 0.24 H new ATOM 0 HB ILE A 60 8.007 -0.238 -1.222 1.00 0.26 H new ATOM 0 HG12 ILE A 60 7.341 2.710 -1.226 1.00 0.24 H new ATOM 0 HG13 ILE A 60 7.716 1.702 0.157 1.00 0.24 H new ATOM 0 HG21 ILE A 60 9.068 0.892 -3.156 1.00 0.29 H new ATOM 0 HG22 ILE A 60 7.737 -0.173 -3.667 1.00 0.29 H new ATOM 0 HG23 ILE A 60 7.492 1.588 -3.602 1.00 0.29 H new ATOM 0 HD11 ILE A 60 9.628 3.103 -0.450 1.00 0.28 H new ATOM 0 HD12 ILE A 60 10.017 1.382 -0.682 1.00 0.28 H new ATOM 0 HD13 ILE A 60 9.636 2.406 -2.087 1.00 0.28 H new ATOM 1036 N ASN A 61 5.157 1.472 0.348 1.00 0.24 N ATOM 1037 CA ASN A 61 4.553 1.561 1.676 1.00 0.28 C ATOM 1038 C ASN A 61 3.277 0.724 1.735 1.00 0.29 C ATOM 1039 O ASN A 61 2.867 0.256 2.795 1.00 0.36 O ATOM 1040 CB ASN A 61 4.232 3.027 1.992 1.00 0.36 C ATOM 1041 CG ASN A 61 3.511 3.229 3.312 1.00 0.51 C ATOM 1042 OD1 ASN A 61 4.137 3.399 4.359 1.00 0.62 O ATOM 1043 ND2 ASN A 61 2.186 3.242 3.266 1.00 0.60 N ATOM 0 H ASN A 61 5.287 2.376 -0.106 1.00 0.24 H new ATOM 0 HA ASN A 61 5.256 1.175 2.415 1.00 0.28 H new ATOM 0 HB2 ASN A 61 5.161 3.597 2.006 1.00 0.36 H new ATOM 0 HB3 ASN A 61 3.619 3.436 1.189 1.00 0.36 H new ATOM 0 HD21 ASN A 61 1.648 3.397 4.118 1.00 0.60 H new ATOM 0 HD22 ASN A 61 1.705 3.097 2.378 1.00 0.60 H new ATOM 1050 N ASN A 62 2.669 0.548 0.570 1.00 0.25 N ATOM 1051 CA ASN A 62 1.411 -0.167 0.437 1.00 0.27 C ATOM 1052 C ASN A 62 1.624 -1.677 0.414 1.00 0.22 C ATOM 1053 O ASN A 62 1.085 -2.397 1.242 1.00 0.20 O ATOM 1054 CB ASN A 62 0.732 0.244 -0.863 1.00 0.32 C ATOM 1055 CG ASN A 62 -0.697 -0.224 -0.951 1.00 0.36 C ATOM 1056 OD1 ASN A 62 -1.613 0.508 -0.609 1.00 0.77 O ATOM 1057 ND2 ASN A 62 -0.891 -1.449 -1.415 1.00 0.21 N ATOM 0 H ASN A 62 3.038 0.900 -0.313 1.00 0.25 H new ATOM 0 HA ASN A 62 0.791 0.086 1.297 1.00 0.27 H new ATOM 0 HB2 ASN A 62 0.760 1.330 -0.954 1.00 0.32 H new ATOM 0 HB3 ASN A 62 1.294 -0.161 -1.705 1.00 0.32 H new ATOM 0 HD21 ASN A 62 -1.838 -1.818 -1.499 1.00 0.21 H new ATOM 0 HD22 ASN A 62 -0.093 -2.023 -1.688 1.00 0.21 H new ATOM 1064 N ALA A 63 2.424 -2.143 -0.548 1.00 0.20 N ATOM 1065 CA ALA A 63 2.563 -3.575 -0.830 1.00 0.18 C ATOM 1066 C ALA A 63 3.105 -4.371 0.367 1.00 0.14 C ATOM 1067 O ALA A 63 3.013 -5.597 0.394 1.00 0.14 O ATOM 1068 CB ALA A 63 3.463 -3.773 -2.039 1.00 0.19 C ATOM 0 H ALA A 63 2.990 -1.544 -1.150 1.00 0.20 H new ATOM 0 HA ALA A 63 1.565 -3.961 -1.037 1.00 0.18 H new ATOM 0 HB1 ALA A 63 3.565 -4.838 -2.246 1.00 0.19 H new ATOM 0 HB2 ALA A 63 3.025 -3.275 -2.904 1.00 0.19 H new ATOM 0 HB3 ALA A 63 4.446 -3.348 -1.835 1.00 0.19 H new ATOM 1074 N HIS A 64 3.656 -3.651 1.342 1.00 0.13 N ATOM 1075 CA HIS A 64 4.301 -4.231 2.525 1.00 0.11 C ATOM 1076 C HIS A 64 3.505 -5.384 3.153 1.00 0.13 C ATOM 1077 O HIS A 64 4.041 -6.475 3.343 1.00 0.20 O ATOM 1078 CB HIS A 64 4.547 -3.103 3.544 1.00 0.15 C ATOM 1079 CG HIS A 64 4.755 -3.529 4.972 1.00 0.37 C ATOM 1080 ND1 HIS A 64 5.986 -3.866 5.491 1.00 1.02 N ATOM 1081 CD2 HIS A 64 3.886 -3.609 6.005 1.00 1.02 C ATOM 1082 CE1 HIS A 64 5.863 -4.129 6.778 1.00 1.00 C ATOM 1083 NE2 HIS A 64 4.600 -3.980 7.116 1.00 0.96 N ATOM 0 H HIS A 64 3.669 -2.631 1.335 1.00 0.13 H new ATOM 0 HA HIS A 64 5.245 -4.677 2.212 1.00 0.11 H new ATOM 0 HB2 HIS A 64 5.423 -2.538 3.224 1.00 0.15 H new ATOM 0 HB3 HIS A 64 3.698 -2.421 3.511 1.00 0.15 H new ATOM 0 HD1 HIS A 64 6.857 -3.906 4.962 1.00 1.02 H new ATOM 0 HD2 HIS A 64 2.824 -3.416 5.963 1.00 1.02 H new ATOM 0 HE1 HIS A 64 6.664 -4.418 7.442 1.00 1.00 H new ATOM 1092 N ALA A 65 2.250 -5.146 3.492 1.00 0.14 N ATOM 1093 CA ALA A 65 1.455 -6.157 4.177 1.00 0.17 C ATOM 1094 C ALA A 65 0.696 -7.060 3.210 1.00 0.13 C ATOM 1095 O ALA A 65 0.586 -8.260 3.437 1.00 0.14 O ATOM 1096 CB ALA A 65 0.477 -5.496 5.134 1.00 0.25 C ATOM 0 H ALA A 65 1.760 -4.270 3.307 1.00 0.14 H new ATOM 0 HA ALA A 65 2.152 -6.785 4.732 1.00 0.17 H new ATOM 0 HB1 ALA A 65 -0.111 -6.262 5.640 1.00 0.25 H new ATOM 0 HB2 ALA A 65 1.028 -4.915 5.873 1.00 0.25 H new ATOM 0 HB3 ALA A 65 -0.188 -4.837 4.576 1.00 0.25 H new ATOM 1102 N ILE A 66 0.214 -6.480 2.121 1.00 0.13 N ATOM 1103 CA ILE A 66 -0.793 -7.120 1.265 1.00 0.12 C ATOM 1104 C ILE A 66 -0.379 -8.507 0.782 1.00 0.13 C ATOM 1105 O ILE A 66 -1.214 -9.399 0.659 1.00 0.21 O ATOM 1106 CB ILE A 66 -1.106 -6.281 0.014 1.00 0.13 C ATOM 1107 CG1 ILE A 66 -0.642 -4.831 0.171 1.00 0.14 C ATOM 1108 CG2 ILE A 66 -2.599 -6.338 -0.274 1.00 0.13 C ATOM 1109 CD1 ILE A 66 -1.391 -4.045 1.215 1.00 0.14 C ATOM 0 H ILE A 66 0.504 -5.556 1.800 1.00 0.13 H new ATOM 0 HA ILE A 66 -1.673 -7.204 1.903 1.00 0.12 H new ATOM 0 HB ILE A 66 -0.556 -6.703 -0.827 1.00 0.13 H new ATOM 0 HG12 ILE A 66 0.418 -4.827 0.423 1.00 0.14 H new ATOM 0 HG13 ILE A 66 -0.743 -4.325 -0.789 1.00 0.14 H new ATOM 0 HG21 ILE A 66 -2.822 -5.744 -1.160 1.00 0.13 H new ATOM 0 HG22 ILE A 66 -2.897 -7.372 -0.446 1.00 0.13 H new ATOM 0 HG23 ILE A 66 -3.149 -5.939 0.578 1.00 0.13 H new ATOM 0 HD11 ILE A 66 -0.997 -3.030 1.258 1.00 0.14 H new ATOM 0 HD12 ILE A 66 -2.449 -4.013 0.956 1.00 0.14 H new ATOM 0 HD13 ILE A 66 -1.270 -4.523 2.187 1.00 0.14 H new ATOM 1121 N LEU A 67 0.900 -8.670 0.486 1.00 0.12 N ATOM 1122 CA LEU A 67 1.404 -9.906 -0.109 1.00 0.14 C ATOM 1123 C LEU A 67 1.208 -11.093 0.826 1.00 0.16 C ATOM 1124 O LEU A 67 0.793 -12.172 0.405 1.00 0.21 O ATOM 1125 CB LEU A 67 2.892 -9.763 -0.427 1.00 0.15 C ATOM 1126 CG LEU A 67 3.319 -8.395 -0.953 1.00 0.14 C ATOM 1127 CD1 LEU A 67 4.806 -8.383 -1.234 1.00 0.16 C ATOM 1128 CD2 LEU A 67 2.532 -8.028 -2.198 1.00 0.16 C ATOM 0 H LEU A 67 1.615 -7.960 0.647 1.00 0.12 H new ATOM 0 HA LEU A 67 0.841 -10.087 -1.024 1.00 0.14 H new ATOM 0 HB2 LEU A 67 3.462 -9.981 0.476 1.00 0.15 H new ATOM 0 HB3 LEU A 67 3.163 -10.518 -1.165 1.00 0.15 H new ATOM 0 HG LEU A 67 3.106 -7.648 -0.189 1.00 0.14 H new ATOM 0 HD11 LEU A 67 5.098 -7.402 -1.609 1.00 0.16 H new ATOM 0 HD12 LEU A 67 5.352 -8.597 -0.315 1.00 0.16 H new ATOM 0 HD13 LEU A 67 5.041 -9.141 -1.981 1.00 0.16 H new ATOM 0 HD21 LEU A 67 2.852 -7.050 -2.556 1.00 0.16 H new ATOM 0 HD22 LEU A 67 2.709 -8.774 -2.973 1.00 0.16 H new ATOM 0 HD23 LEU A 67 1.469 -7.997 -1.960 1.00 0.16 H new ATOM 1140 N THR A 68 1.518 -10.883 2.091 1.00 0.15 N ATOM 1141 CA THR A 68 1.479 -11.948 3.078 1.00 0.18 C ATOM 1142 C THR A 68 0.218 -11.878 3.939 1.00 0.18 C ATOM 1143 O THR A 68 -0.161 -12.864 4.574 1.00 0.23 O ATOM 1144 CB THR A 68 2.731 -11.889 3.980 1.00 0.21 C ATOM 1145 OG1 THR A 68 2.598 -12.772 5.100 1.00 0.27 O ATOM 1146 CG2 THR A 68 2.973 -10.468 4.460 1.00 0.20 C ATOM 0 H THR A 68 1.802 -9.977 2.463 1.00 0.15 H new ATOM 0 HA THR A 68 1.464 -12.894 2.536 1.00 0.18 H new ATOM 0 HB THR A 68 3.588 -12.212 3.389 1.00 0.21 H new ATOM 0 HG1 THR A 68 3.318 -13.436 5.080 1.00 0.27 H new ATOM 0 HG21 THR A 68 3.859 -10.444 5.094 1.00 0.20 H new ATOM 0 HG22 THR A 68 3.124 -9.815 3.601 1.00 0.20 H new ATOM 0 HG23 THR A 68 2.110 -10.124 5.030 1.00 0.20 H new ATOM 1154 N ASP A 69 -0.429 -10.724 3.959 1.00 0.17 N ATOM 1155 CA ASP A 69 -1.601 -10.537 4.801 1.00 0.19 C ATOM 1156 C ASP A 69 -2.880 -10.744 4.006 1.00 0.17 C ATOM 1157 O ASP A 69 -3.159 -10.015 3.050 1.00 0.19 O ATOM 1158 CB ASP A 69 -1.608 -9.145 5.424 1.00 0.21 C ATOM 1159 CG ASP A 69 -2.641 -9.030 6.523 1.00 0.27 C ATOM 1160 OD1 ASP A 69 -3.807 -8.697 6.218 1.00 0.28 O ATOM 1161 OD2 ASP A 69 -2.296 -9.272 7.691 1.00 0.58 O ATOM 0 H ASP A 69 -0.166 -9.908 3.407 1.00 0.17 H new ATOM 0 HA ASP A 69 -1.554 -11.281 5.596 1.00 0.19 H new ATOM 0 HB2 ASP A 69 -0.620 -8.922 5.828 1.00 0.21 H new ATOM 0 HB3 ASP A 69 -1.812 -8.402 4.653 1.00 0.21 H new ATOM 1166 N ALA A 70 -3.663 -11.726 4.425 1.00 0.19 N ATOM 1167 CA ALA A 70 -4.908 -12.067 3.748 1.00 0.21 C ATOM 1168 C ALA A 70 -5.940 -10.960 3.894 1.00 0.18 C ATOM 1169 O ALA A 70 -6.790 -10.783 3.026 1.00 0.19 O ATOM 1170 CB ALA A 70 -5.462 -13.373 4.290 1.00 0.27 C ATOM 0 H ALA A 70 -3.457 -12.306 5.238 1.00 0.19 H new ATOM 0 HA ALA A 70 -4.689 -12.185 2.687 1.00 0.21 H new ATOM 0 HB1 ALA A 70 -6.392 -13.615 3.775 1.00 0.27 H new ATOM 0 HB2 ALA A 70 -4.738 -14.171 4.126 1.00 0.27 H new ATOM 0 HB3 ALA A 70 -5.654 -13.271 5.358 1.00 0.27 H new ATOM 1176 N THR A 71 -5.856 -10.211 4.982 1.00 0.17 N ATOM 1177 CA THR A 71 -6.795 -9.132 5.228 1.00 0.17 C ATOM 1178 C THR A 71 -6.563 -7.986 4.251 1.00 0.14 C ATOM 1179 O THR A 71 -7.487 -7.548 3.578 1.00 0.15 O ATOM 1180 CB THR A 71 -6.695 -8.615 6.673 1.00 0.20 C ATOM 1181 OG1 THR A 71 -6.930 -9.693 7.590 1.00 0.25 O ATOM 1182 CG2 THR A 71 -7.697 -7.499 6.917 1.00 0.21 C ATOM 0 H THR A 71 -5.148 -10.331 5.707 1.00 0.17 H new ATOM 0 HA THR A 71 -7.798 -9.532 5.078 1.00 0.17 H new ATOM 0 HB THR A 71 -5.693 -8.217 6.831 1.00 0.20 H new ATOM 0 HG1 THR A 71 -6.864 -9.361 8.510 1.00 0.25 H new ATOM 0 HG21 THR A 71 -7.608 -7.149 7.945 1.00 0.21 H new ATOM 0 HG22 THR A 71 -7.496 -6.674 6.234 1.00 0.21 H new ATOM 0 HG23 THR A 71 -8.707 -7.873 6.747 1.00 0.21 H new ATOM 1190 N LYS A 72 -5.325 -7.515 4.156 1.00 0.13 N ATOM 1191 CA LYS A 72 -4.996 -6.470 3.213 1.00 0.13 C ATOM 1192 C LYS A 72 -5.234 -6.952 1.796 1.00 0.12 C ATOM 1193 O LYS A 72 -5.672 -6.194 0.948 1.00 0.13 O ATOM 1194 CB LYS A 72 -3.547 -6.006 3.377 1.00 0.15 C ATOM 1195 CG LYS A 72 -3.324 -5.081 4.564 1.00 0.17 C ATOM 1196 CD LYS A 72 -3.461 -5.805 5.893 1.00 0.17 C ATOM 1197 CE LYS A 72 -3.313 -4.857 7.068 1.00 0.24 C ATOM 1198 NZ LYS A 72 -3.257 -5.576 8.367 1.00 0.71 N ATOM 0 H LYS A 72 -4.541 -7.843 4.720 1.00 0.13 H new ATOM 0 HA LYS A 72 -5.645 -5.618 3.416 1.00 0.13 H new ATOM 0 HB2 LYS A 72 -2.906 -6.881 3.486 1.00 0.15 H new ATOM 0 HB3 LYS A 72 -3.235 -5.494 2.467 1.00 0.15 H new ATOM 0 HG2 LYS A 72 -2.331 -4.638 4.495 1.00 0.17 H new ATOM 0 HG3 LYS A 72 -4.042 -4.262 4.523 1.00 0.17 H new ATOM 0 HD2 LYS A 72 -4.433 -6.295 5.941 1.00 0.17 H new ATOM 0 HD3 LYS A 72 -2.706 -6.588 5.960 1.00 0.17 H new ATOM 0 HE2 LYS A 72 -2.406 -4.265 6.943 1.00 0.24 H new ATOM 0 HE3 LYS A 72 -4.150 -4.159 7.077 1.00 0.24 H new ATOM 0 HZ1 LYS A 72 -3.156 -4.888 9.140 1.00 0.71 H new ATOM 0 HZ2 LYS A 72 -4.133 -6.121 8.500 1.00 0.71 H new ATOM 0 HZ3 LYS A 72 -2.443 -6.223 8.371 1.00 0.71 H new ATOM 1212 N ARG A 73 -4.973 -8.225 1.539 1.00 0.13 N ATOM 1213 CA ARG A 73 -5.218 -8.781 0.219 1.00 0.15 C ATOM 1214 C ARG A 73 -6.718 -8.860 -0.038 1.00 0.16 C ATOM 1215 O ARG A 73 -7.168 -8.865 -1.183 1.00 0.19 O ATOM 1216 CB ARG A 73 -4.580 -10.160 0.089 1.00 0.18 C ATOM 1217 CG ARG A 73 -4.206 -10.527 -1.339 1.00 0.38 C ATOM 1218 CD ARG A 73 -3.314 -9.465 -1.974 1.00 0.47 C ATOM 1219 NE ARG A 73 -2.902 -9.826 -3.331 1.00 0.49 N ATOM 1220 CZ ARG A 73 -1.808 -9.356 -3.930 1.00 0.88 C ATOM 1221 NH1 ARG A 73 -0.949 -8.604 -3.253 1.00 1.45 N ATOM 1222 NH2 ARG A 73 -1.557 -9.658 -5.197 1.00 0.97 N ATOM 0 H ARG A 73 -4.596 -8.885 2.219 1.00 0.13 H new ATOM 0 HA ARG A 73 -4.765 -8.128 -0.527 1.00 0.15 H new ATOM 0 HB2 ARG A 73 -3.685 -10.197 0.711 1.00 0.18 H new ATOM 0 HB3 ARG A 73 -5.270 -10.908 0.479 1.00 0.18 H new ATOM 0 HG2 ARG A 73 -3.691 -11.488 -1.346 1.00 0.38 H new ATOM 0 HG3 ARG A 73 -5.111 -10.646 -1.934 1.00 0.38 H new ATOM 0 HD2 ARG A 73 -3.846 -8.514 -1.999 1.00 0.47 H new ATOM 0 HD3 ARG A 73 -2.429 -9.319 -1.355 1.00 0.47 H new ATOM 0 HE ARG A 73 -3.489 -10.478 -3.851 1.00 0.49 H new ATOM 0 HH11 ARG A 73 -1.126 -8.385 -2.273 1.00 1.45 H new ATOM 0 HH12 ARG A 73 -0.112 -8.245 -3.713 1.00 1.45 H new ATOM 0 HH21 ARG A 73 -2.203 -10.252 -5.717 1.00 0.97 H new ATOM 0 HH22 ARG A 73 -0.719 -9.296 -5.651 1.00 0.97 H new ATOM 1236 N ASN A 74 -7.480 -8.899 1.042 1.00 0.16 N ATOM 1237 CA ASN A 74 -8.931 -8.887 0.967 1.00 0.18 C ATOM 1238 C ASN A 74 -9.439 -7.476 0.712 1.00 0.17 C ATOM 1239 O ASN A 74 -10.549 -7.279 0.226 1.00 0.23 O ATOM 1240 CB ASN A 74 -9.526 -9.452 2.255 1.00 0.21 C ATOM 1241 CG ASN A 74 -10.227 -10.777 2.041 1.00 0.31 C ATOM 1242 OD1 ASN A 74 -10.783 -11.036 0.973 1.00 0.57 O ATOM 1243 ND2 ASN A 74 -10.198 -11.627 3.054 1.00 0.43 N ATOM 0 H ASN A 74 -7.112 -8.940 1.992 1.00 0.16 H new ATOM 0 HA ASN A 74 -9.246 -9.516 0.134 1.00 0.18 H new ATOM 0 HB2 ASN A 74 -8.733 -9.580 2.992 1.00 0.21 H new ATOM 0 HB3 ASN A 74 -10.233 -8.734 2.670 1.00 0.21 H new ATOM 0 HD21 ASN A 74 -10.648 -12.538 2.968 1.00 0.43 H new ATOM 0 HD22 ASN A 74 -9.726 -11.371 3.921 1.00 0.43 H new ATOM 1250 N ILE A 75 -8.625 -6.491 1.056 1.00 0.13 N ATOM 1251 CA ILE A 75 -8.907 -5.121 0.670 1.00 0.13 C ATOM 1252 C ILE A 75 -8.383 -4.887 -0.737 1.00 0.14 C ATOM 1253 O ILE A 75 -9.020 -4.218 -1.530 1.00 0.15 O ATOM 1254 CB ILE A 75 -8.298 -4.078 1.651 1.00 0.14 C ATOM 1255 CG1 ILE A 75 -9.173 -3.933 2.904 1.00 0.18 C ATOM 1256 CG2 ILE A 75 -8.134 -2.713 0.970 1.00 0.17 C ATOM 1257 CD1 ILE A 75 -9.246 -5.175 3.764 1.00 0.20 C ATOM 0 H ILE A 75 -7.770 -6.615 1.598 1.00 0.13 H new ATOM 0 HA ILE A 75 -9.988 -4.982 0.704 1.00 0.13 H new ATOM 0 HB ILE A 75 -7.314 -4.440 1.948 1.00 0.14 H new ATOM 0 HG12 ILE A 75 -8.789 -3.111 3.507 1.00 0.18 H new ATOM 0 HG13 ILE A 75 -10.182 -3.659 2.597 1.00 0.18 H new ATOM 0 HG21 ILE A 75 -7.707 -2.002 1.677 1.00 0.17 H new ATOM 0 HG22 ILE A 75 -7.471 -2.813 0.110 1.00 0.17 H new ATOM 0 HG23 ILE A 75 -9.108 -2.353 0.638 1.00 0.17 H new ATOM 0 HD11 ILE A 75 -9.884 -4.983 4.626 1.00 0.20 H new ATOM 0 HD12 ILE A 75 -9.661 -5.997 3.181 1.00 0.20 H new ATOM 0 HD13 ILE A 75 -8.245 -5.441 4.105 1.00 0.20 H new ATOM 1269 N TYR A 76 -7.235 -5.491 -1.032 1.00 0.15 N ATOM 1270 CA TYR A 76 -6.578 -5.388 -2.336 1.00 0.18 C ATOM 1271 C TYR A 76 -7.559 -5.531 -3.496 1.00 0.19 C ATOM 1272 O TYR A 76 -7.574 -4.703 -4.408 1.00 0.26 O ATOM 1273 CB TYR A 76 -5.481 -6.460 -2.437 1.00 0.21 C ATOM 1274 CG TYR A 76 -5.082 -6.826 -3.854 1.00 0.22 C ATOM 1275 CD1 TYR A 76 -4.151 -6.061 -4.551 1.00 0.36 C ATOM 1276 CD2 TYR A 76 -5.630 -7.928 -4.495 1.00 0.28 C ATOM 1277 CE1 TYR A 76 -3.779 -6.385 -5.840 1.00 0.44 C ATOM 1278 CE2 TYR A 76 -5.261 -8.257 -5.785 1.00 0.36 C ATOM 1279 CZ TYR A 76 -4.364 -7.513 -6.453 1.00 0.41 C ATOM 1280 OH TYR A 76 -3.966 -7.816 -7.736 1.00 0.52 O ATOM 0 H TYR A 76 -6.727 -6.073 -0.366 1.00 0.15 H new ATOM 0 HA TYR A 76 -6.141 -4.392 -2.411 1.00 0.18 H new ATOM 0 HB2 TYR A 76 -4.597 -6.108 -1.905 1.00 0.21 H new ATOM 0 HB3 TYR A 76 -5.823 -7.360 -1.926 1.00 0.21 H new ATOM 0 HD1 TYR A 76 -3.711 -5.197 -4.074 1.00 0.36 H new ATOM 0 HD2 TYR A 76 -6.356 -8.538 -3.978 1.00 0.28 H new ATOM 0 HE1 TYR A 76 -3.053 -5.786 -6.370 1.00 0.44 H new ATOM 0 HE2 TYR A 76 -5.698 -9.122 -6.262 1.00 0.36 H new ATOM 0 HH TYR A 76 -4.441 -8.615 -8.046 1.00 0.52 H new ATOM 1290 N ASP A 77 -8.375 -6.576 -3.464 1.00 0.18 N ATOM 1291 CA ASP A 77 -9.280 -6.853 -4.576 1.00 0.22 C ATOM 1292 C ASP A 77 -10.480 -5.908 -4.576 1.00 0.22 C ATOM 1293 O ASP A 77 -11.296 -5.937 -5.495 1.00 0.30 O ATOM 1294 CB ASP A 77 -9.752 -8.312 -4.558 1.00 0.31 C ATOM 1295 CG ASP A 77 -10.726 -8.618 -3.439 1.00 1.00 C ATOM 1296 OD1 ASP A 77 -10.275 -8.854 -2.303 1.00 1.21 O ATOM 1297 OD2 ASP A 77 -11.949 -8.648 -3.699 1.00 1.74 O ATOM 0 H ASP A 77 -8.431 -7.240 -2.691 1.00 0.18 H new ATOM 0 HA ASP A 77 -8.718 -6.683 -5.494 1.00 0.22 H new ATOM 0 HB2 ASP A 77 -10.223 -8.545 -5.513 1.00 0.31 H new ATOM 0 HB3 ASP A 77 -8.885 -8.965 -4.463 1.00 0.31 H new ATOM 1302 N LYS A 78 -10.584 -5.066 -3.556 1.00 0.20 N ATOM 1303 CA LYS A 78 -11.649 -4.074 -3.492 1.00 0.21 C ATOM 1304 C LYS A 78 -11.069 -2.675 -3.660 1.00 0.20 C ATOM 1305 O LYS A 78 -11.374 -1.964 -4.613 1.00 0.24 O ATOM 1306 CB LYS A 78 -12.375 -4.165 -2.147 1.00 0.22 C ATOM 1307 CG LYS A 78 -13.003 -5.521 -1.869 1.00 0.29 C ATOM 1308 CD LYS A 78 -13.577 -5.589 -0.461 1.00 0.33 C ATOM 1309 CE LYS A 78 -14.613 -4.502 -0.223 1.00 1.31 C ATOM 1310 NZ LYS A 78 -15.199 -4.578 1.142 1.00 1.92 N ATOM 0 H LYS A 78 -9.944 -5.050 -2.762 1.00 0.20 H new ATOM 0 HA LYS A 78 -12.357 -4.272 -4.297 1.00 0.21 H new ATOM 0 HB2 LYS A 78 -11.669 -3.934 -1.349 1.00 0.22 H new ATOM 0 HB3 LYS A 78 -13.154 -3.403 -2.115 1.00 0.22 H new ATOM 0 HG2 LYS A 78 -13.793 -5.714 -2.595 1.00 0.29 H new ATOM 0 HG3 LYS A 78 -12.255 -6.303 -1.997 1.00 0.29 H new ATOM 0 HD2 LYS A 78 -14.032 -6.567 -0.300 1.00 0.33 H new ATOM 0 HD3 LYS A 78 -12.771 -5.489 0.266 1.00 0.33 H new ATOM 0 HE2 LYS A 78 -14.152 -3.525 -0.365 1.00 1.31 H new ATOM 0 HE3 LYS A 78 -15.408 -4.590 -0.964 1.00 1.31 H new ATOM 0 HZ1 LYS A 78 -15.900 -3.819 1.262 1.00 1.92 H new ATOM 0 HZ2 LYS A 78 -15.662 -5.500 1.270 1.00 1.92 H new ATOM 0 HZ3 LYS A 78 -14.445 -4.468 1.850 1.00 1.92 H new ATOM 1324 N TYR A 79 -10.219 -2.303 -2.719 1.00 0.18 N ATOM 1325 CA TYR A 79 -9.543 -1.021 -2.724 1.00 0.19 C ATOM 1326 C TYR A 79 -8.055 -1.232 -2.951 1.00 0.21 C ATOM 1327 O TYR A 79 -7.405 -1.934 -2.180 1.00 0.30 O ATOM 1328 CB TYR A 79 -9.781 -0.297 -1.397 1.00 0.23 C ATOM 1329 CG TYR A 79 -11.245 -0.163 -1.047 1.00 0.34 C ATOM 1330 CD1 TYR A 79 -12.059 0.732 -1.725 1.00 0.60 C ATOM 1331 CD2 TYR A 79 -11.817 -0.946 -0.052 1.00 0.50 C ATOM 1332 CE1 TYR A 79 -13.400 0.850 -1.421 1.00 0.75 C ATOM 1333 CE2 TYR A 79 -13.159 -0.836 0.256 1.00 0.65 C ATOM 1334 CZ TYR A 79 -13.945 0.064 -0.431 1.00 0.72 C ATOM 1335 OH TYR A 79 -15.281 0.173 -0.130 1.00 0.88 O ATOM 0 H TYR A 79 -9.977 -2.891 -1.921 1.00 0.18 H new ATOM 0 HA TYR A 79 -9.942 -0.406 -3.530 1.00 0.19 H new ATOM 0 HB2 TYR A 79 -9.271 -0.837 -0.599 1.00 0.23 H new ATOM 0 HB3 TYR A 79 -9.333 0.696 -1.447 1.00 0.23 H new ATOM 0 HD1 TYR A 79 -11.636 1.348 -2.505 1.00 0.60 H new ATOM 0 HD2 TYR A 79 -11.203 -1.651 0.489 1.00 0.50 H new ATOM 0 HE1 TYR A 79 -14.018 1.555 -1.957 1.00 0.75 H new ATOM 0 HE2 TYR A 79 -13.590 -1.452 1.031 1.00 0.65 H new ATOM 0 HH TYR A 79 -15.506 -0.452 0.591 1.00 0.88 H new ATOM 1345 N GLY A 80 -7.520 -0.652 -4.016 1.00 0.20 N ATOM 1346 CA GLY A 80 -6.102 -0.770 -4.277 1.00 0.25 C ATOM 1347 C GLY A 80 -5.267 0.037 -3.305 1.00 0.20 C ATOM 1348 O GLY A 80 -5.477 -0.015 -2.094 1.00 0.22 O ATOM 0 H GLY A 80 -8.041 -0.104 -4.701 1.00 0.20 H new ATOM 0 HA2 GLY A 80 -5.811 -1.819 -4.218 1.00 0.25 H new ATOM 0 HA3 GLY A 80 -5.894 -0.438 -5.294 1.00 0.25 H new ATOM 1352 N SER A 81 -4.343 0.811 -3.845 1.00 0.23 N ATOM 1353 CA SER A 81 -3.375 1.546 -3.046 1.00 0.25 C ATOM 1354 C SER A 81 -4.025 2.398 -1.948 1.00 0.23 C ATOM 1355 O SER A 81 -3.481 2.507 -0.869 1.00 0.25 O ATOM 1356 CB SER A 81 -2.529 2.422 -3.969 1.00 0.34 C ATOM 1357 OG SER A 81 -1.967 1.652 -5.021 1.00 0.41 O ATOM 0 H SER A 81 -4.241 0.949 -4.851 1.00 0.23 H new ATOM 0 HA SER A 81 -2.748 0.816 -2.534 1.00 0.25 H new ATOM 0 HB2 SER A 81 -3.144 3.220 -4.385 1.00 0.34 H new ATOM 0 HB3 SER A 81 -1.733 2.899 -3.396 1.00 0.34 H new ATOM 0 HG SER A 81 -1.431 2.232 -5.601 1.00 0.41 H new ATOM 1363 N LEU A 82 -5.176 3.013 -2.213 1.00 0.23 N ATOM 1364 CA LEU A 82 -5.810 3.863 -1.197 1.00 0.25 C ATOM 1365 C LEU A 82 -6.277 3.060 -0.002 1.00 0.22 C ATOM 1366 O LEU A 82 -5.810 3.289 1.111 1.00 0.23 O ATOM 1367 CB LEU A 82 -6.979 4.670 -1.758 1.00 0.29 C ATOM 1368 CG LEU A 82 -7.720 5.504 -0.705 1.00 0.42 C ATOM 1369 CD1 LEU A 82 -6.759 6.423 0.035 1.00 0.62 C ATOM 1370 CD2 LEU A 82 -8.832 6.311 -1.341 1.00 0.69 C ATOM 0 H LEU A 82 -5.681 2.945 -3.097 1.00 0.23 H new ATOM 0 HA LEU A 82 -5.038 4.561 -0.873 1.00 0.25 H new ATOM 0 HB2 LEU A 82 -6.608 5.334 -2.538 1.00 0.29 H new ATOM 0 HB3 LEU A 82 -7.686 3.987 -2.230 1.00 0.29 H new ATOM 0 HG LEU A 82 -8.161 4.815 0.015 1.00 0.42 H new ATOM 0 HD11 LEU A 82 -7.309 7.004 0.776 1.00 0.62 H new ATOM 0 HD12 LEU A 82 -5.996 5.826 0.535 1.00 0.62 H new ATOM 0 HD13 LEU A 82 -6.283 7.099 -0.675 1.00 0.62 H new ATOM 0 HD21 LEU A 82 -9.343 6.894 -0.575 1.00 0.69 H new ATOM 0 HD22 LEU A 82 -8.412 6.984 -2.089 1.00 0.69 H new ATOM 0 HD23 LEU A 82 -9.543 5.637 -1.818 1.00 0.69 H new ATOM 1382 N GLY A 83 -7.207 2.137 -0.224 1.00 0.23 N ATOM 1383 CA GLY A 83 -7.698 1.325 0.857 1.00 0.23 C ATOM 1384 C GLY A 83 -6.571 0.645 1.591 1.00 0.21 C ATOM 1385 O GLY A 83 -6.571 0.585 2.808 1.00 0.23 O ATOM 0 H GLY A 83 -7.624 1.942 -1.134 1.00 0.23 H new ATOM 0 HA2 GLY A 83 -8.264 1.945 1.552 1.00 0.23 H new ATOM 0 HA3 GLY A 83 -8.385 0.574 0.467 1.00 0.23 H new ATOM 1389 N LEU A 84 -5.583 0.184 0.852 1.00 0.20 N ATOM 1390 CA LEU A 84 -4.445 -0.495 1.450 1.00 0.20 C ATOM 1391 C LEU A 84 -3.527 0.478 2.191 1.00 0.21 C ATOM 1392 O LEU A 84 -3.044 0.165 3.268 1.00 0.23 O ATOM 1393 CB LEU A 84 -3.675 -1.249 0.380 1.00 0.20 C ATOM 1394 CG LEU A 84 -4.445 -2.386 -0.272 1.00 0.25 C ATOM 1395 CD1 LEU A 84 -3.636 -3.008 -1.398 1.00 0.24 C ATOM 1396 CD2 LEU A 84 -4.798 -3.422 0.775 1.00 0.30 C ATOM 0 H LEU A 84 -5.542 0.266 -0.164 1.00 0.20 H new ATOM 0 HA LEU A 84 -4.824 -1.203 2.187 1.00 0.20 H new ATOM 0 HB2 LEU A 84 -3.369 -0.544 -0.393 1.00 0.20 H new ATOM 0 HB3 LEU A 84 -2.764 -1.652 0.822 1.00 0.20 H new ATOM 0 HG LEU A 84 -5.365 -1.992 -0.705 1.00 0.25 H new ATOM 0 HD11 LEU A 84 -4.206 -3.819 -1.850 1.00 0.24 H new ATOM 0 HD12 LEU A 84 -3.421 -2.251 -2.152 1.00 0.24 H new ATOM 0 HD13 LEU A 84 -2.700 -3.400 -1.000 1.00 0.24 H new ATOM 0 HD21 LEU A 84 -5.350 -4.238 0.308 1.00 0.30 H new ATOM 0 HD22 LEU A 84 -3.884 -3.812 1.223 1.00 0.30 H new ATOM 0 HD23 LEU A 84 -5.414 -2.963 1.548 1.00 0.30 H new ATOM 1408 N TYR A 85 -3.300 1.653 1.623 1.00 0.21 N ATOM 1409 CA TYR A 85 -2.469 2.679 2.260 1.00 0.23 C ATOM 1410 C TYR A 85 -2.925 2.944 3.688 1.00 0.24 C ATOM 1411 O TYR A 85 -2.109 3.143 4.590 1.00 0.26 O ATOM 1412 CB TYR A 85 -2.504 3.968 1.414 1.00 0.25 C ATOM 1413 CG TYR A 85 -2.744 5.250 2.185 1.00 0.29 C ATOM 1414 CD1 TYR A 85 -4.033 5.708 2.429 1.00 0.28 C ATOM 1415 CD2 TYR A 85 -1.677 5.993 2.680 1.00 0.38 C ATOM 1416 CE1 TYR A 85 -4.252 6.870 3.142 1.00 0.37 C ATOM 1417 CE2 TYR A 85 -1.890 7.158 3.391 1.00 0.45 C ATOM 1418 CZ TYR A 85 -3.191 7.614 3.576 1.00 0.44 C ATOM 1419 OH TYR A 85 -3.395 8.749 4.332 1.00 0.52 O ATOM 0 H TYR A 85 -3.680 1.926 0.717 1.00 0.21 H new ATOM 0 HA TYR A 85 -1.441 2.321 2.312 1.00 0.23 H new ATOM 0 HB2 TYR A 85 -1.557 4.057 0.881 1.00 0.25 H new ATOM 0 HB3 TYR A 85 -3.285 3.866 0.661 1.00 0.25 H new ATOM 0 HD1 TYR A 85 -4.876 5.147 2.055 1.00 0.28 H new ATOM 0 HD2 TYR A 85 -0.667 5.654 2.506 1.00 0.38 H new ATOM 0 HE1 TYR A 85 -5.261 7.191 3.356 1.00 0.37 H new ATOM 0 HE2 TYR A 85 -1.055 7.709 3.799 1.00 0.45 H new ATOM 0 HH TYR A 85 -2.531 9.154 4.555 1.00 0.52 H new ATOM 1429 N VAL A 86 -4.228 2.955 3.885 1.00 0.23 N ATOM 1430 CA VAL A 86 -4.792 3.154 5.207 1.00 0.25 C ATOM 1431 C VAL A 86 -5.018 1.818 5.946 1.00 0.24 C ATOM 1432 O VAL A 86 -4.756 1.713 7.146 1.00 0.27 O ATOM 1433 CB VAL A 86 -6.098 3.988 5.121 1.00 0.28 C ATOM 1434 CG1 VAL A 86 -6.952 3.556 3.941 1.00 0.26 C ATOM 1435 CG2 VAL A 86 -6.897 3.905 6.407 1.00 0.32 C ATOM 0 H VAL A 86 -4.919 2.828 3.145 1.00 0.23 H new ATOM 0 HA VAL A 86 -4.068 3.716 5.796 1.00 0.25 H new ATOM 0 HB VAL A 86 -5.805 5.027 4.971 1.00 0.28 H new ATOM 0 HG11 VAL A 86 -7.859 4.159 3.908 1.00 0.26 H new ATOM 0 HG12 VAL A 86 -6.391 3.694 3.016 1.00 0.26 H new ATOM 0 HG13 VAL A 86 -7.219 2.505 4.050 1.00 0.26 H new ATOM 0 HG21 VAL A 86 -7.805 4.501 6.311 1.00 0.32 H new ATOM 0 HG22 VAL A 86 -7.164 2.867 6.603 1.00 0.32 H new ATOM 0 HG23 VAL A 86 -6.298 4.288 7.233 1.00 0.32 H new ATOM 1445 N ALA A 87 -5.462 0.791 5.229 1.00 0.23 N ATOM 1446 CA ALA A 87 -5.783 -0.496 5.850 1.00 0.24 C ATOM 1447 C ALA A 87 -4.542 -1.297 6.216 1.00 0.22 C ATOM 1448 O ALA A 87 -4.500 -1.937 7.260 1.00 0.24 O ATOM 1449 CB ALA A 87 -6.675 -1.329 4.949 1.00 0.25 C ATOM 0 H ALA A 87 -5.609 0.821 4.220 1.00 0.23 H new ATOM 0 HA ALA A 87 -6.313 -0.262 6.773 1.00 0.24 H new ATOM 0 HB1 ALA A 87 -6.897 -2.279 5.435 1.00 0.25 H new ATOM 0 HB2 ALA A 87 -7.604 -0.792 4.760 1.00 0.25 H new ATOM 0 HB3 ALA A 87 -6.165 -1.516 4.004 1.00 0.25 H new ATOM 1455 N GLU A 88 -3.532 -1.274 5.364 1.00 0.20 N ATOM 1456 CA GLU A 88 -2.332 -2.050 5.613 1.00 0.21 C ATOM 1457 C GLU A 88 -1.565 -1.424 6.770 1.00 0.20 C ATOM 1458 O GLU A 88 -1.004 -2.124 7.616 1.00 0.25 O ATOM 1459 CB GLU A 88 -1.483 -2.157 4.326 1.00 0.21 C ATOM 1460 CG GLU A 88 -0.296 -1.206 4.229 1.00 0.25 C ATOM 1461 CD GLU A 88 0.965 -1.782 4.857 1.00 0.86 C ATOM 1462 OE1 GLU A 88 1.599 -2.643 4.224 1.00 1.28 O ATOM 1463 OE2 GLU A 88 1.313 -1.393 5.994 1.00 1.24 O ATOM 0 H GLU A 88 -3.519 -0.731 4.501 1.00 0.20 H new ATOM 0 HA GLU A 88 -2.594 -3.069 5.897 1.00 0.21 H new ATOM 0 HB2 GLU A 88 -1.113 -3.179 4.242 1.00 0.21 H new ATOM 0 HB3 GLU A 88 -2.134 -1.983 3.469 1.00 0.21 H new ATOM 0 HG2 GLU A 88 -0.104 -0.976 3.181 1.00 0.25 H new ATOM 0 HG3 GLU A 88 -0.546 -0.266 4.721 1.00 0.25 H new ATOM 1470 N GLN A 89 -1.609 -0.104 6.834 1.00 0.22 N ATOM 1471 CA GLN A 89 -0.861 0.642 7.828 1.00 0.24 C ATOM 1472 C GLN A 89 -1.594 0.710 9.168 1.00 0.29 C ATOM 1473 O GLN A 89 -0.958 0.682 10.223 1.00 0.36 O ATOM 1474 CB GLN A 89 -0.567 2.046 7.303 1.00 0.25 C ATOM 1475 CG GLN A 89 0.469 2.072 6.190 1.00 0.27 C ATOM 1476 CD GLN A 89 1.872 1.750 6.678 1.00 0.32 C ATOM 1477 OE1 GLN A 89 2.218 2.015 7.831 1.00 0.35 O ATOM 1478 NE2 GLN A 89 2.695 1.175 5.811 1.00 0.38 N ATOM 0 H GLN A 89 -2.161 0.476 6.202 1.00 0.22 H new ATOM 0 HA GLN A 89 0.077 0.117 8.006 1.00 0.24 H new ATOM 0 HB2 GLN A 89 -1.493 2.490 6.937 1.00 0.25 H new ATOM 0 HB3 GLN A 89 -0.219 2.668 8.127 1.00 0.25 H new ATOM 0 HG2 GLN A 89 0.185 1.355 5.420 1.00 0.27 H new ATOM 0 HG3 GLN A 89 0.469 3.057 5.724 1.00 0.27 H new ATOM 0 HE21 GLN A 89 2.376 0.969 4.864 1.00 0.38 H new ATOM 0 HE22 GLN A 89 3.647 0.938 6.091 1.00 0.38 H new ATOM 1487 N PHE A 90 -2.923 0.787 9.143 1.00 0.29 N ATOM 1488 CA PHE A 90 -3.687 0.905 10.387 1.00 0.34 C ATOM 1489 C PHE A 90 -4.756 -0.173 10.516 1.00 0.37 C ATOM 1490 O PHE A 90 -4.959 -0.729 11.594 1.00 0.43 O ATOM 1491 CB PHE A 90 -4.357 2.272 10.477 1.00 0.37 C ATOM 1492 CG PHE A 90 -3.400 3.424 10.387 1.00 0.42 C ATOM 1493 CD1 PHE A 90 -2.543 3.707 11.438 1.00 0.55 C ATOM 1494 CD2 PHE A 90 -3.363 4.231 9.262 1.00 0.43 C ATOM 1495 CE1 PHE A 90 -1.667 4.770 11.369 1.00 0.64 C ATOM 1496 CE2 PHE A 90 -2.488 5.296 9.186 1.00 0.53 C ATOM 1497 CZ PHE A 90 -1.620 5.547 10.197 1.00 0.62 C ATOM 0 H PHE A 90 -3.486 0.770 8.293 1.00 0.29 H new ATOM 0 HA PHE A 90 -2.973 0.780 11.201 1.00 0.34 H new ATOM 0 HB2 PHE A 90 -5.092 2.359 9.677 1.00 0.37 H new ATOM 0 HB3 PHE A 90 -4.902 2.338 11.419 1.00 0.37 H new ATOM 0 HD1 PHE A 90 -2.561 3.087 12.322 1.00 0.55 H new ATOM 0 HD2 PHE A 90 -4.026 4.025 8.435 1.00 0.43 H new ATOM 0 HE1 PHE A 90 -1.024 5.003 12.205 1.00 0.64 H new ATOM 0 HE2 PHE A 90 -2.495 5.934 8.315 1.00 0.53 H new ATOM 0 HZ PHE A 90 -0.894 6.341 10.103 1.00 0.62 H new ATOM 1507 N GLY A 91 -5.450 -0.461 9.429 1.00 0.36 N ATOM 1508 CA GLY A 91 -6.497 -1.459 9.474 1.00 0.41 C ATOM 1509 C GLY A 91 -7.797 -0.942 8.909 1.00 0.43 C ATOM 1510 O GLY A 91 -8.342 0.055 9.389 1.00 0.51 O ATOM 0 H GLY A 91 -5.309 -0.024 8.518 1.00 0.36 H new ATOM 0 HA2 GLY A 91 -6.183 -2.339 8.913 1.00 0.41 H new ATOM 0 HA3 GLY A 91 -6.651 -1.776 10.505 1.00 0.41 H new ATOM 1514 N GLU A 92 -8.294 -1.622 7.891 1.00 0.43 N ATOM 1515 CA GLU A 92 -9.517 -1.218 7.211 1.00 0.47 C ATOM 1516 C GLU A 92 -10.678 -1.147 8.188 1.00 0.54 C ATOM 1517 O GLU A 92 -11.472 -0.206 8.158 1.00 0.63 O ATOM 1518 CB GLU A 92 -9.806 -2.197 6.068 1.00 0.50 C ATOM 1519 CG GLU A 92 -11.034 -1.867 5.224 1.00 0.92 C ATOM 1520 CD GLU A 92 -12.305 -2.523 5.732 1.00 1.83 C ATOM 1521 OE1 GLU A 92 -12.472 -3.742 5.515 1.00 2.23 O ATOM 1522 OE2 GLU A 92 -13.137 -1.828 6.349 1.00 2.69 O ATOM 0 H GLU A 92 -7.865 -2.466 7.512 1.00 0.43 H new ATOM 0 HA GLU A 92 -9.387 -0.220 6.793 1.00 0.47 H new ATOM 0 HB2 GLU A 92 -8.935 -2.234 5.414 1.00 0.50 H new ATOM 0 HB3 GLU A 92 -9.932 -3.195 6.489 1.00 0.50 H new ATOM 0 HG2 GLU A 92 -11.174 -0.786 5.205 1.00 0.92 H new ATOM 0 HG3 GLU A 92 -10.856 -2.183 4.196 1.00 0.92 H new ATOM 1529 N GLU A 93 -10.728 -2.114 9.083 1.00 0.57 N ATOM 1530 CA GLU A 93 -11.826 -2.237 10.022 1.00 0.66 C ATOM 1531 C GLU A 93 -12.051 -0.964 10.842 1.00 0.68 C ATOM 1532 O GLU A 93 -13.189 -0.622 11.150 1.00 0.79 O ATOM 1533 CB GLU A 93 -11.578 -3.419 10.962 1.00 0.70 C ATOM 1534 CG GLU A 93 -10.304 -3.290 11.787 1.00 0.68 C ATOM 1535 CD GLU A 93 -10.107 -4.457 12.729 1.00 1.00 C ATOM 1536 OE1 GLU A 93 -9.565 -5.497 12.294 1.00 1.19 O ATOM 1537 OE2 GLU A 93 -10.497 -4.338 13.909 1.00 1.33 O ATOM 0 H GLU A 93 -10.012 -2.834 9.180 1.00 0.57 H new ATOM 0 HA GLU A 93 -12.729 -2.405 9.435 1.00 0.66 H new ATOM 0 HB2 GLU A 93 -12.428 -3.520 11.637 1.00 0.70 H new ATOM 0 HB3 GLU A 93 -11.528 -4.335 10.374 1.00 0.70 H new ATOM 0 HG2 GLU A 93 -9.447 -3.218 11.118 1.00 0.68 H new ATOM 0 HG3 GLU A 93 -10.339 -2.364 12.362 1.00 0.68 H new ATOM 1544 N ASN A 94 -10.979 -0.261 11.197 1.00 0.61 N ATOM 1545 CA ASN A 94 -11.109 0.858 12.124 1.00 0.64 C ATOM 1546 C ASN A 94 -11.088 2.219 11.431 1.00 0.65 C ATOM 1547 O ASN A 94 -12.025 3.003 11.571 1.00 0.81 O ATOM 1548 CB ASN A 94 -10.049 0.780 13.243 1.00 0.63 C ATOM 1549 CG ASN A 94 -8.615 0.929 12.751 1.00 0.78 C ATOM 1550 OD1 ASN A 94 -8.082 2.032 12.701 1.00 1.65 O ATOM 1551 ND2 ASN A 94 -7.975 -0.176 12.409 1.00 0.70 N ATOM 0 H ASN A 94 -10.031 -0.440 10.866 1.00 0.61 H new ATOM 0 HA ASN A 94 -12.095 0.766 12.579 1.00 0.64 H new ATOM 0 HB2 ASN A 94 -10.253 1.559 13.977 1.00 0.63 H new ATOM 0 HB3 ASN A 94 -10.148 -0.176 13.757 1.00 0.63 H new ATOM 0 HD21 ASN A 94 -7.007 -0.127 12.091 1.00 0.70 H new ATOM 0 HD22 ASN A 94 -8.449 -1.077 12.463 1.00 0.70 H new ATOM 1558 N VAL A 95 -10.038 2.504 10.688 1.00 0.54 N ATOM 1559 CA VAL A 95 -9.874 3.822 10.083 1.00 0.58 C ATOM 1560 C VAL A 95 -10.497 3.888 8.699 1.00 0.62 C ATOM 1561 O VAL A 95 -11.138 4.873 8.348 1.00 0.76 O ATOM 1562 CB VAL A 95 -8.390 4.214 9.986 1.00 0.57 C ATOM 1563 CG1 VAL A 95 -7.891 4.764 11.312 1.00 0.69 C ATOM 1564 CG2 VAL A 95 -7.564 3.015 9.561 1.00 0.49 C ATOM 0 H VAL A 95 -9.284 1.847 10.486 1.00 0.54 H new ATOM 0 HA VAL A 95 -10.390 4.527 10.735 1.00 0.58 H new ATOM 0 HB VAL A 95 -8.285 4.997 9.235 1.00 0.57 H new ATOM 0 HG11 VAL A 95 -6.839 5.035 11.221 1.00 0.69 H new ATOM 0 HG12 VAL A 95 -8.471 5.647 11.581 1.00 0.69 H new ATOM 0 HG13 VAL A 95 -8.004 4.005 12.086 1.00 0.69 H new ATOM 0 HG21 VAL A 95 -6.514 3.301 9.495 1.00 0.49 H new ATOM 0 HG22 VAL A 95 -7.677 2.217 10.295 1.00 0.49 H new ATOM 0 HG23 VAL A 95 -7.906 2.664 8.588 1.00 0.49 H new