USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 665 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 50 ASN : amide:sc= 0.43 K(o=-5.9,f=-6.8) USER MOD Set 1.2: A 53 ASN : amide:sc= -6.36! C(o=-5.9!,f=-5.9!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.141 X(o=-0.14,f=-0.62) USER MOD Single : A 30 THR OG1 : rot -72:sc= 0.121 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -34:sc= 0.529 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -149:sc= -0.128 (180deg=-1.36!) USER MOD Single : A 45 TYR OH : rot 180:sc= -0.885 USER MOD Single : A 46 HIS : no HD1:sc= -3.12! C(o=-3.1!,f=-8.1!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= 2.12 K(o=2.1,f=-0.29) USER MOD Single : A 65 ASN : amide:sc= -2.32 K(o=-2.3,f=-0.89) USER MOD Single : A 67 HIS : no HD1:sc= -5.27! K(o=-5.3!,f=-3.9) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc=-0.00415 K(o=-0.0041,f=-0.93) USER MOD Single : A 79 TYR OH : rot 30:sc= -1.33 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -5.22 K(o=-5.2,f=-6.7!) USER MOD Single : A 97 ASN : amide:sc= -0.0897 K(o=-0.09,f=-3.5!) USER MOD Single : A 99 ASN : amide:sc= -0.0264 X(o=-0.026,f=0) USER MOD Single : A 100 THR OG1 : rot -7:sc= 0.398! USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 219 N SER A 18 0.941 -7.118 -5.100 1.00 0.00 N ATOM 220 CA SER A 18 -0.044 -6.044 -5.085 1.00 0.00 C ATOM 221 C SER A 18 0.416 -4.897 -4.190 1.00 0.00 C ATOM 222 O SER A 18 0.785 -3.826 -4.674 1.00 0.00 O ATOM 223 CB SER A 18 -1.398 -6.570 -4.603 1.00 0.00 C ATOM 224 OG SER A 18 -2.172 -7.053 -5.687 1.00 0.00 O ATOM 0 HA SER A 18 -0.150 -5.668 -6.103 1.00 0.00 H new ATOM 0 HB2 SER A 18 -1.244 -7.369 -3.877 1.00 0.00 H new ATOM 0 HB3 SER A 18 -1.940 -5.774 -4.091 1.00 0.00 H new ATOM 0 HG SER A 18 -3.031 -7.385 -5.353 1.00 0.00 H new ATOM 230 N LEU A 19 0.391 -5.129 -2.883 1.00 0.00 N ATOM 231 CA LEU A 19 0.806 -4.116 -1.918 1.00 0.00 C ATOM 232 C LEU A 19 2.317 -3.914 -1.957 1.00 0.00 C ATOM 233 O LEU A 19 2.807 -2.793 -1.817 1.00 0.00 O ATOM 234 CB LEU A 19 0.370 -4.518 -0.508 1.00 0.00 C ATOM 235 CG LEU A 19 -1.135 -4.495 -0.238 1.00 0.00 C ATOM 236 CD1 LEU A 19 -1.442 -5.096 1.124 1.00 0.00 C ATOM 237 CD2 LEU A 19 -1.671 -3.074 -0.330 1.00 0.00 C ATOM 0 H LEU A 19 0.088 -6.009 -2.466 1.00 0.00 H new ATOM 0 HA LEU A 19 0.325 -3.175 -2.186 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.739 -5.524 -0.308 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.857 -3.852 0.205 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.631 -5.099 -0.998 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.518 -5.071 1.299 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.094 -6.128 1.153 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.935 -4.520 1.898 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.743 -3.076 -0.135 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.170 -2.448 0.408 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.485 -2.679 -1.329 1.00 0.00 H new ATOM 249 N TYR A 20 3.051 -5.004 -2.150 1.00 0.00 N ATOM 250 CA TYR A 20 4.506 -4.946 -2.207 1.00 0.00 C ATOM 251 C TYR A 20 4.971 -3.913 -3.229 1.00 0.00 C ATOM 252 O TYR A 20 5.898 -3.144 -2.974 1.00 0.00 O ATOM 253 CB TYR A 20 5.079 -6.321 -2.558 1.00 0.00 C ATOM 254 CG TYR A 20 4.828 -7.370 -1.499 1.00 0.00 C ATOM 255 CD1 TYR A 20 5.188 -7.149 -0.175 1.00 0.00 C ATOM 256 CD2 TYR A 20 4.230 -8.582 -1.822 1.00 0.00 C ATOM 257 CE1 TYR A 20 4.961 -8.106 0.795 1.00 0.00 C ATOM 258 CE2 TYR A 20 3.998 -9.543 -0.858 1.00 0.00 C ATOM 259 CZ TYR A 20 4.365 -9.301 0.449 1.00 0.00 C ATOM 260 OH TYR A 20 4.137 -10.256 1.414 1.00 0.00 O ATOM 0 H TYR A 20 2.661 -5.939 -2.270 1.00 0.00 H new ATOM 0 HA TYR A 20 4.871 -4.648 -1.224 1.00 0.00 H new ATOM 0 HB2 TYR A 20 4.645 -6.657 -3.500 1.00 0.00 H new ATOM 0 HB3 TYR A 20 6.153 -6.228 -2.718 1.00 0.00 H new ATOM 0 HD1 TYR A 20 5.653 -6.214 0.100 1.00 0.00 H new ATOM 0 HD2 TYR A 20 3.942 -8.776 -2.845 1.00 0.00 H new ATOM 0 HE1 TYR A 20 5.249 -7.920 1.819 1.00 0.00 H new ATOM 0 HE2 TYR A 20 3.531 -10.479 -1.126 1.00 0.00 H new ATOM 0 HH TYR A 20 3.710 -11.038 1.006 1.00 0.00 H new ATOM 270 N HIS A 21 4.318 -3.902 -4.387 1.00 0.00 N ATOM 271 CA HIS A 21 4.662 -2.962 -5.449 1.00 0.00 C ATOM 272 C HIS A 21 4.394 -1.526 -5.011 1.00 0.00 C ATOM 273 O HIS A 21 5.250 -0.653 -5.153 1.00 0.00 O ATOM 274 CB HIS A 21 3.867 -3.279 -6.716 1.00 0.00 C ATOM 275 CG HIS A 21 4.581 -2.909 -7.979 1.00 0.00 C ATOM 276 ND1 HIS A 21 4.132 -1.928 -8.838 1.00 0.00 N ATOM 277 CD2 HIS A 21 5.720 -3.393 -8.527 1.00 0.00 C ATOM 278 CE1 HIS A 21 4.963 -1.826 -9.860 1.00 0.00 C ATOM 279 NE2 HIS A 21 5.936 -2.704 -9.695 1.00 0.00 N ATOM 0 H HIS A 21 3.549 -4.532 -4.614 1.00 0.00 H new ATOM 0 HA HIS A 21 5.726 -3.065 -5.662 1.00 0.00 H new ATOM 0 HB2 HIS A 21 3.640 -4.345 -6.736 1.00 0.00 H new ATOM 0 HB3 HIS A 21 2.914 -2.751 -6.679 1.00 0.00 H new ATOM 0 HD2 HIS A 21 6.343 -4.176 -8.121 1.00 0.00 H new ATOM 0 HE1 HIS A 21 4.864 -1.141 -10.689 1.00 0.00 H new ATOM 0 HE2 HIS A 21 6.720 -2.847 -10.332 1.00 0.00 H new ATOM 287 N VAL A 22 3.199 -1.287 -4.480 1.00 0.00 N ATOM 288 CA VAL A 22 2.818 0.043 -4.021 1.00 0.00 C ATOM 289 C VAL A 22 3.966 0.718 -3.279 1.00 0.00 C ATOM 290 O VAL A 22 4.033 1.946 -3.201 1.00 0.00 O ATOM 291 CB VAL A 22 1.587 -0.013 -3.097 1.00 0.00 C ATOM 292 CG1 VAL A 22 1.272 1.368 -2.542 1.00 0.00 C ATOM 293 CG2 VAL A 22 0.389 -0.583 -3.841 1.00 0.00 C ATOM 0 H VAL A 22 2.478 -1.998 -4.357 1.00 0.00 H new ATOM 0 HA VAL A 22 2.570 0.625 -4.909 1.00 0.00 H new ATOM 0 HB VAL A 22 1.813 -0.672 -2.259 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.399 1.308 -1.892 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.126 1.734 -1.971 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.065 2.052 -3.365 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.472 -0.616 -3.173 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.159 0.049 -4.699 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.620 -1.591 -4.184 1.00 0.00 H new ATOM 303 N LEU A 23 4.869 -0.091 -2.735 1.00 0.00 N ATOM 304 CA LEU A 23 6.016 0.428 -1.998 1.00 0.00 C ATOM 305 C LEU A 23 7.288 0.334 -2.835 1.00 0.00 C ATOM 306 O LEU A 23 7.977 1.330 -3.049 1.00 0.00 O ATOM 307 CB LEU A 23 6.196 -0.340 -0.688 1.00 0.00 C ATOM 308 CG LEU A 23 4.975 -0.397 0.230 1.00 0.00 C ATOM 309 CD1 LEU A 23 5.233 -1.326 1.406 1.00 0.00 C ATOM 310 CD2 LEU A 23 4.610 0.997 0.720 1.00 0.00 C ATOM 0 H LEU A 23 4.829 -1.109 -2.790 1.00 0.00 H new ATOM 0 HA LEU A 23 5.827 1.478 -1.773 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.494 -1.361 -0.927 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.020 0.112 -0.136 1.00 0.00 H new ATOM 0 HG LEU A 23 4.134 -0.792 -0.341 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.353 -1.353 2.048 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.445 -2.330 1.037 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.087 -0.962 1.977 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.739 0.937 1.372 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.449 1.419 1.273 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.381 1.634 -0.134 1.00 0.00 H new ATOM 322 N GLY A 24 7.591 -0.871 -3.308 1.00 0.00 N ATOM 323 CA GLY A 24 8.779 -1.073 -4.118 1.00 0.00 C ATOM 324 C GLY A 24 9.563 -2.301 -3.702 1.00 0.00 C ATOM 325 O GLY A 24 10.794 -2.303 -3.738 1.00 0.00 O ATOM 0 H GLY A 24 7.036 -1.711 -3.145 1.00 0.00 H new ATOM 0 HA2 GLY A 24 8.489 -1.168 -5.165 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.420 -0.194 -4.043 1.00 0.00 H new ATOM 329 N LEU A 25 8.850 -3.349 -3.304 1.00 0.00 N ATOM 330 CA LEU A 25 9.487 -4.590 -2.877 1.00 0.00 C ATOM 331 C LEU A 25 8.896 -5.787 -3.615 1.00 0.00 C ATOM 332 O LEU A 25 8.038 -5.632 -4.484 1.00 0.00 O ATOM 333 CB LEU A 25 9.325 -4.776 -1.367 1.00 0.00 C ATOM 334 CG LEU A 25 9.819 -3.624 -0.492 1.00 0.00 C ATOM 335 CD1 LEU A 25 9.485 -3.882 0.969 1.00 0.00 C ATOM 336 CD2 LEU A 25 11.317 -3.424 -0.670 1.00 0.00 C ATOM 0 H LEU A 25 7.831 -3.364 -3.268 1.00 0.00 H new ATOM 0 HA LEU A 25 10.548 -4.527 -3.117 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.269 -4.942 -1.153 1.00 0.00 H new ATOM 0 HB3 LEU A 25 9.856 -5.682 -1.074 1.00 0.00 H new ATOM 0 HG LEU A 25 9.310 -2.712 -0.805 1.00 0.00 H new ATOM 0 HD11 LEU A 25 9.844 -3.051 1.577 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.405 -3.975 1.084 1.00 0.00 H new ATOM 0 HD13 LEU A 25 9.966 -4.804 1.295 1.00 0.00 H new ATOM 0 HD21 LEU A 25 11.651 -2.600 -0.040 1.00 0.00 H new ATOM 0 HD22 LEU A 25 11.842 -4.335 -0.385 1.00 0.00 H new ATOM 0 HD23 LEU A 25 11.532 -3.193 -1.713 1.00 0.00 H new ATOM 348 N ASP A 26 9.359 -6.981 -3.261 1.00 0.00 N ATOM 349 CA ASP A 26 8.874 -8.205 -3.887 1.00 0.00 C ATOM 350 C ASP A 26 8.131 -9.075 -2.877 1.00 0.00 C ATOM 351 O ASP A 26 8.192 -8.835 -1.671 1.00 0.00 O ATOM 352 CB ASP A 26 10.040 -8.989 -4.493 1.00 0.00 C ATOM 353 CG ASP A 26 11.014 -8.096 -5.236 1.00 0.00 C ATOM 354 OD1 ASP A 26 10.738 -7.762 -6.407 1.00 0.00 O ATOM 355 OD2 ASP A 26 12.051 -7.731 -4.645 1.00 0.00 O ATOM 0 H ASP A 26 10.070 -7.127 -2.544 1.00 0.00 H new ATOM 0 HA ASP A 26 8.180 -7.928 -4.681 1.00 0.00 H new ATOM 0 HB2 ASP A 26 10.569 -9.518 -3.700 1.00 0.00 H new ATOM 0 HB3 ASP A 26 9.650 -9.744 -5.176 1.00 0.00 H new ATOM 360 N LYS A 27 7.428 -10.085 -3.378 1.00 0.00 N ATOM 361 CA LYS A 27 6.672 -10.991 -2.522 1.00 0.00 C ATOM 362 C LYS A 27 7.588 -11.676 -1.513 1.00 0.00 C ATOM 363 O LYS A 27 7.140 -12.124 -0.458 1.00 0.00 O ATOM 364 CB LYS A 27 5.950 -12.042 -3.367 1.00 0.00 C ATOM 365 CG LYS A 27 6.848 -13.180 -3.820 1.00 0.00 C ATOM 366 CD LYS A 27 6.843 -14.325 -2.821 1.00 0.00 C ATOM 367 CE LYS A 27 5.527 -15.087 -2.853 1.00 0.00 C ATOM 368 NZ LYS A 27 5.619 -16.383 -2.125 1.00 0.00 N ATOM 0 H LYS A 27 7.366 -10.297 -4.374 1.00 0.00 H new ATOM 0 HA LYS A 27 5.933 -10.404 -1.976 1.00 0.00 H new ATOM 0 HB2 LYS A 27 5.121 -12.452 -2.791 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.520 -11.558 -4.244 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.515 -13.543 -4.792 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.866 -12.812 -3.949 1.00 0.00 H new ATOM 0 HD2 LYS A 27 7.665 -15.006 -3.043 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.014 -13.935 -1.818 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.742 -14.475 -2.408 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.239 -15.271 -3.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.702 -16.872 -2.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.350 -16.977 -2.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.869 -16.206 -1.131 1.00 0.00 H new ATOM 382 N ASN A 28 8.873 -11.754 -1.844 1.00 0.00 N ATOM 383 CA ASN A 28 9.852 -12.384 -0.966 1.00 0.00 C ATOM 384 C ASN A 28 10.511 -11.352 -0.055 1.00 0.00 C ATOM 385 O ASN A 28 11.569 -11.603 0.519 1.00 0.00 O ATOM 386 CB ASN A 28 10.918 -13.107 -1.792 1.00 0.00 C ATOM 387 CG ASN A 28 10.350 -14.273 -2.577 1.00 0.00 C ATOM 388 OD1 ASN A 28 9.878 -15.253 -2.000 1.00 0.00 O ATOM 389 ND2 ASN A 28 10.392 -14.172 -3.900 1.00 0.00 N ATOM 0 H ASN A 28 9.260 -11.389 -2.714 1.00 0.00 H new ATOM 0 HA ASN A 28 9.330 -13.110 -0.343 1.00 0.00 H new ATOM 0 HB2 ASN A 28 11.381 -12.400 -2.481 1.00 0.00 H new ATOM 0 HB3 ASN A 28 11.704 -13.468 -1.129 1.00 0.00 H new ATOM 0 HD21 ASN A 28 10.024 -14.925 -4.481 1.00 0.00 H new ATOM 0 HD22 ASN A 28 10.792 -13.341 -4.336 1.00 0.00 H new ATOM 396 N ALA A 29 9.875 -10.192 0.071 1.00 0.00 N ATOM 397 CA ALA A 29 10.398 -9.123 0.913 1.00 0.00 C ATOM 398 C ALA A 29 10.327 -9.502 2.388 1.00 0.00 C ATOM 399 O ALA A 29 9.757 -10.532 2.749 1.00 0.00 O ATOM 400 CB ALA A 29 9.634 -7.831 0.661 1.00 0.00 C ATOM 0 H ALA A 29 8.998 -9.969 -0.399 1.00 0.00 H new ATOM 0 HA ALA A 29 11.446 -8.969 0.654 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.035 -7.041 1.296 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.740 -7.544 -0.385 1.00 0.00 H new ATOM 0 HB3 ALA A 29 8.579 -7.981 0.891 1.00 0.00 H new ATOM 406 N THR A 30 10.912 -8.664 3.239 1.00 0.00 N ATOM 407 CA THR A 30 10.917 -8.912 4.675 1.00 0.00 C ATOM 408 C THR A 30 10.271 -7.759 5.435 1.00 0.00 C ATOM 409 O THR A 30 10.437 -6.594 5.072 1.00 0.00 O ATOM 410 CB THR A 30 12.348 -9.123 5.203 1.00 0.00 C ATOM 411 OG1 THR A 30 13.142 -7.959 4.944 1.00 0.00 O ATOM 412 CG2 THR A 30 12.992 -10.338 4.552 1.00 0.00 C ATOM 0 H THR A 30 11.389 -7.807 2.958 1.00 0.00 H new ATOM 0 HA THR A 30 10.339 -9.821 4.841 1.00 0.00 H new ATOM 0 HB THR A 30 12.294 -9.294 6.278 1.00 0.00 H new ATOM 0 HG1 THR A 30 13.336 -7.902 3.985 1.00 0.00 H new ATOM 0 HG21 THR A 30 14.002 -10.467 4.941 1.00 0.00 H new ATOM 0 HG22 THR A 30 12.401 -11.226 4.775 1.00 0.00 H new ATOM 0 HG23 THR A 30 13.035 -10.193 3.473 1.00 0.00 H new ATOM 420 N SER A 31 9.536 -8.091 6.491 1.00 0.00 N ATOM 421 CA SER A 31 8.863 -7.082 7.301 1.00 0.00 C ATOM 422 C SER A 31 9.788 -5.901 7.577 1.00 0.00 C ATOM 423 O SER A 31 9.342 -4.756 7.665 1.00 0.00 O ATOM 424 CB SER A 31 8.387 -7.691 8.621 1.00 0.00 C ATOM 425 OG SER A 31 9.476 -8.212 9.363 1.00 0.00 O ATOM 0 H SER A 31 9.391 -9.050 6.806 1.00 0.00 H new ATOM 0 HA SER A 31 7.999 -6.721 6.743 1.00 0.00 H new ATOM 0 HB2 SER A 31 7.871 -6.933 9.210 1.00 0.00 H new ATOM 0 HB3 SER A 31 7.667 -8.484 8.421 1.00 0.00 H new ATOM 0 HG SER A 31 9.146 -8.594 10.203 1.00 0.00 H new ATOM 431 N ASP A 32 11.078 -6.187 7.712 1.00 0.00 N ATOM 432 CA ASP A 32 12.068 -5.149 7.977 1.00 0.00 C ATOM 433 C ASP A 32 12.208 -4.213 6.780 1.00 0.00 C ATOM 434 O ASP A 32 12.224 -2.992 6.934 1.00 0.00 O ATOM 435 CB ASP A 32 13.421 -5.779 8.309 1.00 0.00 C ATOM 436 CG ASP A 32 14.578 -4.832 8.054 1.00 0.00 C ATOM 437 OD1 ASP A 32 14.414 -3.617 8.291 1.00 0.00 O ATOM 438 OD2 ASP A 32 15.647 -5.307 7.618 1.00 0.00 O ATOM 0 H ASP A 32 11.463 -7.129 7.642 1.00 0.00 H new ATOM 0 HA ASP A 32 11.728 -4.566 8.833 1.00 0.00 H new ATOM 0 HB2 ASP A 32 13.429 -6.085 9.355 1.00 0.00 H new ATOM 0 HB3 ASP A 32 13.555 -6.681 7.712 1.00 0.00 H new ATOM 443 N ASP A 33 12.309 -4.794 5.590 1.00 0.00 N ATOM 444 CA ASP A 33 12.447 -4.013 4.367 1.00 0.00 C ATOM 445 C ASP A 33 11.176 -3.219 4.082 1.00 0.00 C ATOM 446 O ASP A 33 11.232 -2.107 3.556 1.00 0.00 O ATOM 447 CB ASP A 33 12.767 -4.929 3.184 1.00 0.00 C ATOM 448 CG ASP A 33 14.247 -5.233 3.072 1.00 0.00 C ATOM 449 OD1 ASP A 33 15.055 -4.282 3.125 1.00 0.00 O ATOM 450 OD2 ASP A 33 14.599 -6.423 2.931 1.00 0.00 O ATOM 0 H ASP A 33 12.298 -5.804 5.446 1.00 0.00 H new ATOM 0 HA ASP A 33 13.269 -3.311 4.505 1.00 0.00 H new ATOM 0 HB2 ASP A 33 12.214 -5.862 3.291 1.00 0.00 H new ATOM 0 HB3 ASP A 33 12.425 -4.460 2.262 1.00 0.00 H new ATOM 455 N ILE A 34 10.032 -3.797 4.433 1.00 0.00 N ATOM 456 CA ILE A 34 8.748 -3.143 4.215 1.00 0.00 C ATOM 457 C ILE A 34 8.623 -1.882 5.062 1.00 0.00 C ATOM 458 O ILE A 34 8.126 -0.855 4.598 1.00 0.00 O ATOM 459 CB ILE A 34 7.574 -4.086 4.541 1.00 0.00 C ATOM 460 CG1 ILE A 34 7.691 -5.380 3.733 1.00 0.00 C ATOM 461 CG2 ILE A 34 6.248 -3.396 4.260 1.00 0.00 C ATOM 462 CD1 ILE A 34 6.870 -6.519 4.295 1.00 0.00 C ATOM 0 H ILE A 34 9.968 -4.717 4.869 1.00 0.00 H new ATOM 0 HA ILE A 34 8.705 -2.874 3.160 1.00 0.00 H new ATOM 0 HB ILE A 34 7.612 -4.338 5.601 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.377 -5.188 2.707 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.738 -5.682 3.695 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.428 -4.074 4.495 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.166 -2.501 4.876 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.198 -3.118 3.207 1.00 0.00 H new ATOM 0 HD11 ILE A 34 7.001 -7.404 3.672 1.00 0.00 H new ATOM 0 HD12 ILE A 34 7.199 -6.738 5.311 1.00 0.00 H new ATOM 0 HD13 ILE A 34 5.817 -6.237 4.308 1.00 0.00 H new ATOM 474 N LYS A 35 9.078 -1.964 6.308 1.00 0.00 N ATOM 475 CA LYS A 35 9.021 -0.829 7.221 1.00 0.00 C ATOM 476 C LYS A 35 9.924 0.302 6.740 1.00 0.00 C ATOM 477 O LYS A 35 9.522 1.466 6.721 1.00 0.00 O ATOM 478 CB LYS A 35 9.433 -1.260 8.630 1.00 0.00 C ATOM 479 CG LYS A 35 8.286 -1.816 9.456 1.00 0.00 C ATOM 480 CD LYS A 35 8.782 -2.454 10.742 1.00 0.00 C ATOM 481 CE LYS A 35 7.699 -2.474 11.809 1.00 0.00 C ATOM 482 NZ LYS A 35 8.271 -2.594 13.179 1.00 0.00 N ATOM 0 H LYS A 35 9.491 -2.806 6.709 1.00 0.00 H new ATOM 0 HA LYS A 35 7.994 -0.465 7.245 1.00 0.00 H new ATOM 0 HB2 LYS A 35 10.215 -2.015 8.556 1.00 0.00 H new ATOM 0 HB3 LYS A 35 9.864 -0.405 9.151 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.586 -1.015 9.693 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.739 -2.555 8.870 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.113 -3.472 10.540 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.648 -1.905 11.111 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.106 -1.562 11.742 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.022 -3.308 11.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.500 -2.604 13.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 8.816 -3.477 13.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.897 -1.785 13.366 1.00 0.00 H new ATOM 496 N LYS A 36 11.145 -0.047 6.349 1.00 0.00 N ATOM 497 CA LYS A 36 12.105 0.938 5.865 1.00 0.00 C ATOM 498 C LYS A 36 11.558 1.678 4.648 1.00 0.00 C ATOM 499 O LYS A 36 11.449 2.904 4.653 1.00 0.00 O ATOM 500 CB LYS A 36 13.429 0.258 5.509 1.00 0.00 C ATOM 501 CG LYS A 36 14.130 -0.369 6.701 1.00 0.00 C ATOM 502 CD LYS A 36 15.583 -0.688 6.389 1.00 0.00 C ATOM 503 CE LYS A 36 15.705 -1.913 5.496 1.00 0.00 C ATOM 504 NZ LYS A 36 17.065 -2.034 4.903 1.00 0.00 N ATOM 0 H LYS A 36 11.493 -1.006 6.358 1.00 0.00 H new ATOM 0 HA LYS A 36 12.278 1.662 6.661 1.00 0.00 H new ATOM 0 HB2 LYS A 36 13.242 -0.513 4.761 1.00 0.00 H new ATOM 0 HB3 LYS A 36 14.093 0.992 5.052 1.00 0.00 H new ATOM 0 HG2 LYS A 36 14.080 0.310 7.552 1.00 0.00 H new ATOM 0 HG3 LYS A 36 13.610 -1.282 6.991 1.00 0.00 H new ATOM 0 HD2 LYS A 36 16.048 0.168 5.900 1.00 0.00 H new ATOM 0 HD3 LYS A 36 16.127 -0.858 7.318 1.00 0.00 H new ATOM 0 HE2 LYS A 36 15.481 -2.809 6.075 1.00 0.00 H new ATOM 0 HE3 LYS A 36 14.965 -1.856 4.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 17.107 -2.881 4.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 17.270 -1.191 4.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 17.770 -2.114 5.664 1.00 0.00 H new ATOM 518 N SER A 37 11.215 0.925 3.608 1.00 0.00 N ATOM 519 CA SER A 37 10.681 1.510 2.384 1.00 0.00 C ATOM 520 C SER A 37 9.709 2.642 2.701 1.00 0.00 C ATOM 521 O SER A 37 9.851 3.757 2.198 1.00 0.00 O ATOM 522 CB SER A 37 9.979 0.440 1.546 1.00 0.00 C ATOM 523 OG SER A 37 8.921 -0.163 2.271 1.00 0.00 O ATOM 0 H SER A 37 11.297 -0.091 3.589 1.00 0.00 H new ATOM 0 HA SER A 37 11.515 1.920 1.813 1.00 0.00 H new ATOM 0 HB2 SER A 37 9.589 0.888 0.632 1.00 0.00 H new ATOM 0 HB3 SER A 37 10.699 -0.322 1.246 1.00 0.00 H new ATOM 0 HG SER A 37 9.161 -0.212 3.220 1.00 0.00 H new ATOM 529 N TYR A 38 8.722 2.348 3.539 1.00 0.00 N ATOM 530 CA TYR A 38 7.724 3.339 3.923 1.00 0.00 C ATOM 531 C TYR A 38 8.378 4.688 4.209 1.00 0.00 C ATOM 532 O TYR A 38 7.976 5.713 3.660 1.00 0.00 O ATOM 533 CB TYR A 38 6.950 2.864 5.154 1.00 0.00 C ATOM 534 CG TYR A 38 6.276 3.983 5.914 1.00 0.00 C ATOM 535 CD1 TYR A 38 5.289 4.759 5.318 1.00 0.00 C ATOM 536 CD2 TYR A 38 6.625 4.266 7.229 1.00 0.00 C ATOM 537 CE1 TYR A 38 4.671 5.784 6.008 1.00 0.00 C ATOM 538 CE2 TYR A 38 6.011 5.287 7.928 1.00 0.00 C ATOM 539 CZ TYR A 38 5.035 6.043 7.313 1.00 0.00 C ATOM 540 OH TYR A 38 4.422 7.062 8.005 1.00 0.00 O ATOM 0 H TYR A 38 8.591 1.431 3.966 1.00 0.00 H new ATOM 0 HA TYR A 38 7.031 3.460 3.091 1.00 0.00 H new ATOM 0 HB2 TYR A 38 6.195 2.142 4.842 1.00 0.00 H new ATOM 0 HB3 TYR A 38 7.634 2.342 5.823 1.00 0.00 H new ATOM 0 HD1 TYR A 38 5.000 4.557 4.297 1.00 0.00 H new ATOM 0 HD2 TYR A 38 7.390 3.677 7.713 1.00 0.00 H new ATOM 0 HE1 TYR A 38 3.908 6.379 5.529 1.00 0.00 H new ATOM 0 HE2 TYR A 38 6.294 5.492 8.950 1.00 0.00 H new ATOM 0 HH TYR A 38 4.792 7.111 8.911 1.00 0.00 H new ATOM 550 N ARG A 39 9.388 4.677 5.072 1.00 0.00 N ATOM 551 CA ARG A 39 10.098 5.898 5.433 1.00 0.00 C ATOM 552 C ARG A 39 10.486 6.689 4.187 1.00 0.00 C ATOM 553 O ARG A 39 9.892 7.725 3.885 1.00 0.00 O ATOM 554 CB ARG A 39 11.349 5.564 6.248 1.00 0.00 C ATOM 555 CG ARG A 39 11.050 4.859 7.561 1.00 0.00 C ATOM 556 CD ARG A 39 12.326 4.404 8.252 1.00 0.00 C ATOM 557 NE ARG A 39 12.059 3.814 9.561 1.00 0.00 N ATOM 558 CZ ARG A 39 11.685 4.520 10.623 1.00 0.00 C ATOM 559 NH1 ARG A 39 11.534 5.833 10.530 1.00 0.00 N ATOM 560 NH2 ARG A 39 11.460 3.910 11.780 1.00 0.00 N ATOM 0 H ARG A 39 9.733 3.836 5.534 1.00 0.00 H new ATOM 0 HA ARG A 39 9.431 6.511 6.039 1.00 0.00 H new ATOM 0 HB2 ARG A 39 12.006 4.934 5.648 1.00 0.00 H new ATOM 0 HB3 ARG A 39 11.894 6.485 6.456 1.00 0.00 H new ATOM 0 HG2 ARG A 39 10.498 5.531 8.219 1.00 0.00 H new ATOM 0 HG3 ARG A 39 10.409 3.998 7.375 1.00 0.00 H new ATOM 0 HD2 ARG A 39 12.838 3.675 7.624 1.00 0.00 H new ATOM 0 HD3 ARG A 39 12.998 5.254 8.368 1.00 0.00 H new ATOM 0 HE ARG A 39 12.165 2.805 9.666 1.00 0.00 H new ATOM 0 HH11 ARG A 39 11.705 6.304 9.642 1.00 0.00 H new ATOM 0 HH12 ARG A 39 11.247 6.372 11.347 1.00 0.00 H new ATOM 0 HH21 ARG A 39 11.574 2.899 11.854 1.00 0.00 H new ATOM 0 HH22 ARG A 39 11.173 4.452 12.595 1.00 0.00 H new ATOM 574 N LYS A 40 11.487 6.195 3.466 1.00 0.00 N ATOM 575 CA LYS A 40 11.955 6.853 2.253 1.00 0.00 C ATOM 576 C LYS A 40 10.781 7.285 1.380 1.00 0.00 C ATOM 577 O LYS A 40 10.760 8.399 0.856 1.00 0.00 O ATOM 578 CB LYS A 40 12.875 5.919 1.463 1.00 0.00 C ATOM 579 CG LYS A 40 12.335 4.506 1.327 1.00 0.00 C ATOM 580 CD LYS A 40 13.307 3.607 0.581 1.00 0.00 C ATOM 581 CE LYS A 40 13.059 3.643 -0.919 1.00 0.00 C ATOM 582 NZ LYS A 40 14.255 3.201 -1.689 1.00 0.00 N ATOM 0 H LYS A 40 11.990 5.340 3.702 1.00 0.00 H new ATOM 0 HA LYS A 40 12.514 7.742 2.545 1.00 0.00 H new ATOM 0 HB2 LYS A 40 13.034 6.335 0.468 1.00 0.00 H new ATOM 0 HB3 LYS A 40 13.848 5.882 1.953 1.00 0.00 H new ATOM 0 HG2 LYS A 40 12.142 4.092 2.317 1.00 0.00 H new ATOM 0 HG3 LYS A 40 11.381 4.529 0.800 1.00 0.00 H new ATOM 0 HD2 LYS A 40 14.329 3.922 0.790 1.00 0.00 H new ATOM 0 HD3 LYS A 40 13.209 2.583 0.943 1.00 0.00 H new ATOM 0 HE2 LYS A 40 12.212 3.001 -1.163 1.00 0.00 H new ATOM 0 HE3 LYS A 40 12.788 4.655 -1.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 14.046 3.240 -2.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 15.056 3.829 -1.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 14.499 2.226 -1.422 1.00 0.00 H new ATOM 596 N LEU A 41 9.804 6.397 1.230 1.00 0.00 N ATOM 597 CA LEU A 41 8.624 6.687 0.422 1.00 0.00 C ATOM 598 C LEU A 41 7.854 7.875 0.989 1.00 0.00 C ATOM 599 O LEU A 41 7.295 8.678 0.243 1.00 0.00 O ATOM 600 CB LEU A 41 7.714 5.460 0.355 1.00 0.00 C ATOM 601 CG LEU A 41 8.286 4.238 -0.364 1.00 0.00 C ATOM 602 CD1 LEU A 41 7.424 3.012 -0.104 1.00 0.00 C ATOM 603 CD2 LEU A 41 8.401 4.504 -1.858 1.00 0.00 C ATOM 0 H LEU A 41 9.805 5.471 1.657 1.00 0.00 H new ATOM 0 HA LEU A 41 8.957 6.941 -0.585 1.00 0.00 H new ATOM 0 HB2 LEU A 41 7.455 5.169 1.373 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.787 5.747 -0.141 1.00 0.00 H new ATOM 0 HG LEU A 41 9.284 4.044 0.029 1.00 0.00 H new ATOM 0 HD11 LEU A 41 7.847 2.153 -0.624 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.393 2.809 0.967 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.413 3.194 -0.468 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.810 3.624 -2.354 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.414 4.724 -2.265 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.061 5.355 -2.026 1.00 0.00 H new ATOM 615 N ALA A 42 7.831 7.981 2.314 1.00 0.00 N ATOM 616 CA ALA A 42 7.134 9.073 2.981 1.00 0.00 C ATOM 617 C ALA A 42 7.844 10.403 2.747 1.00 0.00 C ATOM 618 O ALA A 42 7.202 11.442 2.590 1.00 0.00 O ATOM 619 CB ALA A 42 7.016 8.792 4.472 1.00 0.00 C ATOM 0 H ALA A 42 8.287 7.323 2.946 1.00 0.00 H new ATOM 0 HA ALA A 42 6.133 9.145 2.555 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.493 9.616 4.957 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.458 7.868 4.625 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.012 8.690 4.903 1.00 0.00 H new ATOM 625 N LEU A 43 9.172 10.363 2.724 1.00 0.00 N ATOM 626 CA LEU A 43 9.969 11.565 2.509 1.00 0.00 C ATOM 627 C LEU A 43 9.727 12.138 1.117 1.00 0.00 C ATOM 628 O LEU A 43 9.683 13.354 0.932 1.00 0.00 O ATOM 629 CB LEU A 43 11.456 11.254 2.694 1.00 0.00 C ATOM 630 CG LEU A 43 12.020 11.483 4.097 1.00 0.00 C ATOM 631 CD1 LEU A 43 13.119 10.477 4.401 1.00 0.00 C ATOM 632 CD2 LEU A 43 12.543 12.905 4.236 1.00 0.00 C ATOM 0 H LEU A 43 9.719 9.511 2.852 1.00 0.00 H new ATOM 0 HA LEU A 43 9.665 12.309 3.245 1.00 0.00 H new ATOM 0 HB2 LEU A 43 11.625 10.212 2.422 1.00 0.00 H new ATOM 0 HB3 LEU A 43 12.024 11.864 1.992 1.00 0.00 H new ATOM 0 HG LEU A 43 11.216 11.341 4.819 1.00 0.00 H new ATOM 0 HD11 LEU A 43 13.508 10.655 5.403 1.00 0.00 H new ATOM 0 HD12 LEU A 43 12.714 9.467 4.344 1.00 0.00 H new ATOM 0 HD13 LEU A 43 13.924 10.587 3.674 1.00 0.00 H new ATOM 0 HD21 LEU A 43 12.940 13.050 5.241 1.00 0.00 H new ATOM 0 HD22 LEU A 43 13.333 13.075 3.505 1.00 0.00 H new ATOM 0 HD23 LEU A 43 11.730 13.610 4.062 1.00 0.00 H new ATOM 644 N LYS A 44 9.568 11.253 0.138 1.00 0.00 N ATOM 645 CA LYS A 44 9.327 11.668 -1.238 1.00 0.00 C ATOM 646 C LYS A 44 7.842 11.926 -1.476 1.00 0.00 C ATOM 647 O LYS A 44 7.471 12.814 -2.244 1.00 0.00 O ATOM 648 CB LYS A 44 9.832 10.601 -2.211 1.00 0.00 C ATOM 649 CG LYS A 44 9.099 9.276 -2.096 1.00 0.00 C ATOM 650 CD LYS A 44 9.462 8.337 -3.234 1.00 0.00 C ATOM 651 CE LYS A 44 10.663 7.473 -2.883 1.00 0.00 C ATOM 652 NZ LYS A 44 11.938 8.239 -2.956 1.00 0.00 N ATOM 0 H LYS A 44 9.602 10.243 0.273 1.00 0.00 H new ATOM 0 HA LYS A 44 9.872 12.596 -1.412 1.00 0.00 H new ATOM 0 HB2 LYS A 44 9.732 10.974 -3.230 1.00 0.00 H new ATOM 0 HB3 LYS A 44 10.895 10.435 -2.035 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.343 8.806 -1.143 1.00 0.00 H new ATOM 0 HG3 LYS A 44 8.023 9.453 -2.098 1.00 0.00 H new ATOM 0 HD2 LYS A 44 8.609 7.699 -3.467 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.680 8.917 -4.131 1.00 0.00 H new ATOM 0 HE2 LYS A 44 10.539 7.070 -1.878 1.00 0.00 H new ATOM 0 HE3 LYS A 44 10.710 6.623 -3.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 12.711 7.601 -3.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 11.847 8.999 -3.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 12.148 8.653 -2.025 1.00 0.00 H new ATOM 666 N TYR A 45 6.997 11.144 -0.813 1.00 0.00 N ATOM 667 CA TYR A 45 5.553 11.287 -0.953 1.00 0.00 C ATOM 668 C TYR A 45 4.960 12.023 0.244 1.00 0.00 C ATOM 669 O TYR A 45 3.776 11.878 0.553 1.00 0.00 O ATOM 670 CB TYR A 45 4.895 9.914 -1.099 1.00 0.00 C ATOM 671 CG TYR A 45 5.192 9.238 -2.418 1.00 0.00 C ATOM 672 CD1 TYR A 45 4.654 9.719 -3.605 1.00 0.00 C ATOM 673 CD2 TYR A 45 6.013 8.118 -2.478 1.00 0.00 C ATOM 674 CE1 TYR A 45 4.922 9.103 -4.812 1.00 0.00 C ATOM 675 CE2 TYR A 45 6.288 7.497 -3.681 1.00 0.00 C ATOM 676 CZ TYR A 45 5.740 7.993 -4.845 1.00 0.00 C ATOM 677 OH TYR A 45 6.011 7.378 -6.046 1.00 0.00 O ATOM 0 H TYR A 45 7.287 10.405 -0.173 1.00 0.00 H new ATOM 0 HA TYR A 45 5.357 11.874 -1.851 1.00 0.00 H new ATOM 0 HB2 TYR A 45 5.232 9.270 -0.286 1.00 0.00 H new ATOM 0 HB3 TYR A 45 3.816 10.024 -0.992 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.015 10.590 -3.584 1.00 0.00 H new ATOM 0 HD2 TYR A 45 6.443 7.726 -1.568 1.00 0.00 H new ATOM 0 HE1 TYR A 45 4.493 9.489 -5.725 1.00 0.00 H new ATOM 0 HE2 TYR A 45 6.929 6.628 -3.710 1.00 0.00 H new ATOM 0 HH TYR A 45 6.604 6.612 -5.895 1.00 0.00 H new ATOM 687 N HIS A 46 5.790 12.815 0.915 1.00 0.00 N ATOM 688 CA HIS A 46 5.349 13.576 2.079 1.00 0.00 C ATOM 689 C HIS A 46 4.227 14.540 1.704 1.00 0.00 C ATOM 690 O HIS A 46 4.238 15.160 0.640 1.00 0.00 O ATOM 691 CB HIS A 46 6.521 14.349 2.684 1.00 0.00 C ATOM 692 CG HIS A 46 6.406 14.550 4.163 1.00 0.00 C ATOM 693 ND1 HIS A 46 5.762 15.631 4.728 1.00 0.00 N ATOM 694 CD2 HIS A 46 6.856 13.800 5.196 1.00 0.00 C ATOM 695 CE1 HIS A 46 5.822 15.538 6.045 1.00 0.00 C ATOM 696 NE2 HIS A 46 6.481 14.436 6.355 1.00 0.00 N ATOM 0 H HIS A 46 6.772 12.947 0.673 1.00 0.00 H new ATOM 0 HA HIS A 46 4.968 12.873 2.819 1.00 0.00 H new ATOM 0 HB2 HIS A 46 7.447 13.816 2.469 1.00 0.00 H new ATOM 0 HB3 HIS A 46 6.593 15.322 2.198 1.00 0.00 H new ATOM 0 HD2 HIS A 46 7.407 12.874 5.123 1.00 0.00 H new ATOM 0 HE1 HIS A 46 5.403 16.243 6.748 1.00 0.00 H new ATOM 0 HE2 HIS A 46 6.679 14.110 7.301 1.00 0.00 H new ATOM 704 N PRO A 47 3.235 14.670 2.597 1.00 0.00 N ATOM 705 CA PRO A 47 2.088 15.556 2.382 1.00 0.00 C ATOM 706 C PRO A 47 2.473 17.030 2.449 1.00 0.00 C ATOM 707 O PRO A 47 1.905 17.863 1.743 1.00 0.00 O ATOM 708 CB PRO A 47 1.142 15.198 3.531 1.00 0.00 C ATOM 709 CG PRO A 47 2.030 14.658 4.598 1.00 0.00 C ATOM 710 CD PRO A 47 3.157 13.962 3.886 1.00 0.00 C ATOM 0 HA PRO A 47 1.650 15.421 1.393 1.00 0.00 H new ATOM 0 HB2 PRO A 47 0.592 16.073 3.878 1.00 0.00 H new ATOM 0 HB3 PRO A 47 0.403 14.460 3.220 1.00 0.00 H new ATOM 0 HG2 PRO A 47 2.406 15.459 5.235 1.00 0.00 H new ATOM 0 HG3 PRO A 47 1.489 13.965 5.243 1.00 0.00 H new ATOM 0 HD2 PRO A 47 4.091 14.037 4.443 1.00 0.00 H new ATOM 0 HD3 PRO A 47 2.951 12.900 3.750 1.00 0.00 H new ATOM 718 N ASP A 48 3.442 17.345 3.302 1.00 0.00 N ATOM 719 CA ASP A 48 3.904 18.719 3.460 1.00 0.00 C ATOM 720 C ASP A 48 4.699 19.169 2.238 1.00 0.00 C ATOM 721 O ASP A 48 4.518 20.281 1.741 1.00 0.00 O ATOM 722 CB ASP A 48 4.764 18.849 4.719 1.00 0.00 C ATOM 723 CG ASP A 48 5.466 20.189 4.805 1.00 0.00 C ATOM 724 OD1 ASP A 48 4.768 21.224 4.844 1.00 0.00 O ATOM 725 OD2 ASP A 48 6.714 20.204 4.833 1.00 0.00 O ATOM 0 H ASP A 48 3.922 16.668 3.894 1.00 0.00 H new ATOM 0 HA ASP A 48 3.029 19.361 3.559 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.136 18.714 5.600 1.00 0.00 H new ATOM 0 HB3 ASP A 48 5.507 18.052 4.732 1.00 0.00 H new ATOM 730 N LYS A 49 5.581 18.298 1.759 1.00 0.00 N ATOM 731 CA LYS A 49 6.404 18.605 0.595 1.00 0.00 C ATOM 732 C LYS A 49 5.537 18.841 -0.638 1.00 0.00 C ATOM 733 O LYS A 49 5.866 19.664 -1.491 1.00 0.00 O ATOM 734 CB LYS A 49 7.389 17.465 0.327 1.00 0.00 C ATOM 735 CG LYS A 49 8.268 17.127 1.519 1.00 0.00 C ATOM 736 CD LYS A 49 9.520 17.988 1.551 1.00 0.00 C ATOM 737 CE LYS A 49 10.123 18.044 2.946 1.00 0.00 C ATOM 738 NZ LYS A 49 11.400 18.809 2.967 1.00 0.00 N ATOM 0 H LYS A 49 5.744 17.374 2.159 1.00 0.00 H new ATOM 0 HA LYS A 49 6.961 19.518 0.806 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.831 16.576 0.034 1.00 0.00 H new ATOM 0 HB3 LYS A 49 8.024 17.736 -0.517 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.704 17.270 2.440 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.550 16.075 1.478 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.255 17.589 0.852 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.277 18.997 1.218 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.412 18.506 3.631 1.00 0.00 H new ATOM 0 HE3 LYS A 49 10.301 17.031 3.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 11.780 18.824 3.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 12.087 18.354 2.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 11.226 19.783 2.648 1.00 0.00 H new ATOM 752 N ASN A 50 4.427 18.115 -0.723 1.00 0.00 N ATOM 753 CA ASN A 50 3.512 18.247 -1.851 1.00 0.00 C ATOM 754 C ASN A 50 2.233 18.965 -1.433 1.00 0.00 C ATOM 755 O ASN A 50 1.203 18.346 -1.162 1.00 0.00 O ATOM 756 CB ASN A 50 3.173 16.869 -2.423 1.00 0.00 C ATOM 757 CG ASN A 50 4.407 16.105 -2.862 1.00 0.00 C ATOM 758 OD1 ASN A 50 4.695 16.000 -4.054 1.00 0.00 O ATOM 759 ND2 ASN A 50 5.144 15.568 -1.896 1.00 0.00 N ATOM 0 H ASN A 50 4.139 17.429 -0.025 1.00 0.00 H new ATOM 0 HA ASN A 50 4.006 18.841 -2.620 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.638 16.288 -1.671 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.501 16.987 -3.273 1.00 0.00 H new ATOM 0 HD21 ASN A 50 5.987 15.043 -2.129 1.00 0.00 H new ATOM 0 HD22 ASN A 50 4.867 15.680 -0.921 1.00 0.00 H new ATOM 766 N PRO A 51 2.297 20.304 -1.378 1.00 0.00 N ATOM 767 CA PRO A 51 1.152 21.136 -0.994 1.00 0.00 C ATOM 768 C PRO A 51 0.054 21.134 -2.052 1.00 0.00 C ATOM 769 O PRO A 51 0.311 21.393 -3.228 1.00 0.00 O ATOM 770 CB PRO A 51 1.760 22.534 -0.858 1.00 0.00 C ATOM 771 CG PRO A 51 2.959 22.514 -1.742 1.00 0.00 C ATOM 772 CD PRO A 51 3.491 21.108 -1.687 1.00 0.00 C ATOM 0 HA PRO A 51 0.672 20.774 -0.085 1.00 0.00 H new ATOM 0 HB2 PRO A 51 1.054 23.305 -1.167 1.00 0.00 H new ATOM 0 HB3 PRO A 51 2.034 22.748 0.175 1.00 0.00 H new ATOM 0 HG2 PRO A 51 2.696 22.792 -2.763 1.00 0.00 H new ATOM 0 HG3 PRO A 51 3.708 23.228 -1.400 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.941 20.811 -2.634 1.00 0.00 H new ATOM 0 HD3 PRO A 51 4.259 20.998 -0.921 1.00 0.00 H new ATOM 780 N ASP A 52 -1.170 20.842 -1.626 1.00 0.00 N ATOM 781 CA ASP A 52 -2.309 20.808 -2.537 1.00 0.00 C ATOM 782 C ASP A 52 -1.952 20.073 -3.826 1.00 0.00 C ATOM 783 O ASP A 52 -2.174 20.582 -4.923 1.00 0.00 O ATOM 784 CB ASP A 52 -2.775 22.229 -2.858 1.00 0.00 C ATOM 785 CG ASP A 52 -3.201 22.991 -1.618 1.00 0.00 C ATOM 786 OD1 ASP A 52 -4.205 22.592 -0.992 1.00 0.00 O ATOM 787 OD2 ASP A 52 -2.532 23.988 -1.275 1.00 0.00 O ATOM 0 H ASP A 52 -1.399 20.625 -0.656 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.120 20.270 -2.046 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.969 22.769 -3.354 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.609 22.186 -3.559 1.00 0.00 H new ATOM 792 N ASN A 53 -1.396 18.874 -3.683 1.00 0.00 N ATOM 793 CA ASN A 53 -1.007 18.071 -4.836 1.00 0.00 C ATOM 794 C ASN A 53 -1.736 16.730 -4.836 1.00 0.00 C ATOM 795 O ASN A 53 -1.680 15.966 -3.873 1.00 0.00 O ATOM 796 CB ASN A 53 0.506 17.841 -4.837 1.00 0.00 C ATOM 797 CG ASN A 53 1.070 17.708 -6.238 1.00 0.00 C ATOM 798 OD1 ASN A 53 0.516 18.249 -7.196 1.00 0.00 O ATOM 799 ND2 ASN A 53 2.177 16.986 -6.364 1.00 0.00 N ATOM 0 H ASN A 53 -1.205 18.438 -2.781 1.00 0.00 H new ATOM 0 HA ASN A 53 -1.286 18.616 -5.738 1.00 0.00 H new ATOM 0 HB2 ASN A 53 0.997 18.670 -4.328 1.00 0.00 H new ATOM 0 HB3 ASN A 53 0.734 16.939 -4.269 1.00 0.00 H new ATOM 0 HD21 ASN A 53 2.603 16.861 -7.282 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.602 16.556 -5.542 1.00 0.00 H new ATOM 806 N PRO A 54 -2.436 16.437 -5.942 1.00 0.00 N ATOM 807 CA PRO A 54 -3.188 15.188 -6.095 1.00 0.00 C ATOM 808 C PRO A 54 -2.275 13.975 -6.232 1.00 0.00 C ATOM 809 O PRO A 54 -2.437 12.982 -5.524 1.00 0.00 O ATOM 810 CB PRO A 54 -3.983 15.409 -7.384 1.00 0.00 C ATOM 811 CG PRO A 54 -3.189 16.408 -8.153 1.00 0.00 C ATOM 812 CD PRO A 54 -2.546 17.302 -7.129 1.00 0.00 C ATOM 0 HA PRO A 54 -3.810 14.977 -5.225 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -4.098 14.480 -7.942 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.986 15.779 -7.172 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -2.436 15.917 -8.770 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -3.828 16.981 -8.825 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -1.570 17.655 -7.461 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -3.153 18.185 -6.928 1.00 0.00 H new ATOM 820 N GLU A 55 -1.315 14.063 -7.148 1.00 0.00 N ATOM 821 CA GLU A 55 -0.377 12.970 -7.378 1.00 0.00 C ATOM 822 C GLU A 55 0.171 12.437 -6.057 1.00 0.00 C ATOM 823 O GLU A 55 0.330 11.230 -5.881 1.00 0.00 O ATOM 824 CB GLU A 55 0.775 13.437 -8.269 1.00 0.00 C ATOM 825 CG GLU A 55 1.636 14.517 -7.636 1.00 0.00 C ATOM 826 CD GLU A 55 2.731 15.009 -8.563 1.00 0.00 C ATOM 827 OE1 GLU A 55 2.430 15.277 -9.745 1.00 0.00 O ATOM 828 OE2 GLU A 55 3.887 15.125 -8.107 1.00 0.00 O ATOM 0 H GLU A 55 -1.167 14.879 -7.742 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.913 12.165 -7.881 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.403 12.581 -8.514 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.368 13.813 -9.208 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.004 15.357 -7.348 1.00 0.00 H new ATOM 0 HG3 GLU A 55 2.086 14.129 -6.722 1.00 0.00 H new ATOM 835 N ALA A 56 0.459 13.347 -5.132 1.00 0.00 N ATOM 836 CA ALA A 56 0.988 12.970 -3.827 1.00 0.00 C ATOM 837 C ALA A 56 -0.093 12.333 -2.961 1.00 0.00 C ATOM 838 O ALA A 56 0.016 11.170 -2.572 1.00 0.00 O ATOM 839 CB ALA A 56 1.582 14.183 -3.128 1.00 0.00 C ATOM 0 H ALA A 56 0.335 14.351 -5.262 1.00 0.00 H new ATOM 0 HA ALA A 56 1.776 12.232 -3.980 1.00 0.00 H new ATOM 0 HB1 ALA A 56 1.973 13.887 -2.155 1.00 0.00 H new ATOM 0 HB2 ALA A 56 2.390 14.593 -3.734 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.809 14.940 -2.993 1.00 0.00 H new ATOM 845 N ALA A 57 -1.134 13.102 -2.661 1.00 0.00 N ATOM 846 CA ALA A 57 -2.235 12.612 -1.841 1.00 0.00 C ATOM 847 C ALA A 57 -2.666 11.216 -2.278 1.00 0.00 C ATOM 848 O ALA A 57 -2.878 10.333 -1.446 1.00 0.00 O ATOM 849 CB ALA A 57 -3.412 13.574 -1.907 1.00 0.00 C ATOM 0 H ALA A 57 -1.238 14.067 -2.974 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.887 12.551 -0.810 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -4.227 13.195 -1.290 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.103 14.553 -1.539 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.751 13.664 -2.939 1.00 0.00 H new ATOM 855 N ASP A 58 -2.793 11.023 -3.586 1.00 0.00 N ATOM 856 CA ASP A 58 -3.198 9.734 -4.133 1.00 0.00 C ATOM 857 C ASP A 58 -2.197 8.645 -3.758 1.00 0.00 C ATOM 858 O ASP A 58 -2.571 7.495 -3.530 1.00 0.00 O ATOM 859 CB ASP A 58 -3.330 9.820 -5.654 1.00 0.00 C ATOM 860 CG ASP A 58 -4.138 8.674 -6.231 1.00 0.00 C ATOM 861 OD1 ASP A 58 -3.678 7.517 -6.136 1.00 0.00 O ATOM 862 OD2 ASP A 58 -5.230 8.935 -6.779 1.00 0.00 O ATOM 0 H ASP A 58 -2.621 11.743 -4.287 1.00 0.00 H new ATOM 0 HA ASP A 58 -4.167 9.475 -3.706 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.803 10.765 -5.922 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.337 9.822 -6.102 1.00 0.00 H new ATOM 867 N LYS A 59 -0.923 9.017 -3.696 1.00 0.00 N ATOM 868 CA LYS A 59 0.133 8.074 -3.348 1.00 0.00 C ATOM 869 C LYS A 59 0.237 7.906 -1.836 1.00 0.00 C ATOM 870 O LYS A 59 -0.034 6.831 -1.301 1.00 0.00 O ATOM 871 CB LYS A 59 1.475 8.548 -3.913 1.00 0.00 C ATOM 872 CG LYS A 59 1.617 8.328 -5.409 1.00 0.00 C ATOM 873 CD LYS A 59 1.772 6.854 -5.744 1.00 0.00 C ATOM 874 CE LYS A 59 3.234 6.435 -5.751 1.00 0.00 C ATOM 875 NZ LYS A 59 3.410 5.046 -6.259 1.00 0.00 N ATOM 0 H LYS A 59 -0.597 9.965 -3.882 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.118 7.108 -3.786 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.596 9.610 -3.697 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.281 8.025 -3.399 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.742 8.728 -5.921 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.482 8.879 -5.778 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.224 6.255 -5.017 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.330 6.653 -6.720 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.806 7.124 -6.372 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.637 6.506 -4.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.420 4.798 -6.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.885 4.385 -5.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.049 4.984 -7.232 1.00 0.00 H new ATOM 889 N PHE A 60 0.629 8.976 -1.152 1.00 0.00 N ATOM 890 CA PHE A 60 0.767 8.947 0.300 1.00 0.00 C ATOM 891 C PHE A 60 -0.311 8.071 0.931 1.00 0.00 C ATOM 892 O PHE A 60 -0.011 7.098 1.624 1.00 0.00 O ATOM 893 CB PHE A 60 0.687 10.365 0.869 1.00 0.00 C ATOM 894 CG PHE A 60 1.081 10.452 2.316 1.00 0.00 C ATOM 895 CD1 PHE A 60 2.393 10.234 2.705 1.00 0.00 C ATOM 896 CD2 PHE A 60 0.140 10.754 3.287 1.00 0.00 C ATOM 897 CE1 PHE A 60 2.757 10.314 4.036 1.00 0.00 C ATOM 898 CE2 PHE A 60 0.498 10.835 4.619 1.00 0.00 C ATOM 899 CZ PHE A 60 1.809 10.616 4.994 1.00 0.00 C ATOM 0 H PHE A 60 0.857 9.874 -1.579 1.00 0.00 H new ATOM 0 HA PHE A 60 1.742 8.522 0.540 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.333 11.020 0.284 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.331 10.737 0.755 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.139 9.999 1.960 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.886 10.928 2.999 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.783 10.140 4.327 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.246 11.069 5.366 1.00 0.00 H new ATOM 0 HZ PHE A 60 2.092 10.681 6.034 1.00 0.00 H new ATOM 909 N LYS A 61 -1.569 8.425 0.689 1.00 0.00 N ATOM 910 CA LYS A 61 -2.694 7.673 1.232 1.00 0.00 C ATOM 911 C LYS A 61 -2.538 6.182 0.950 1.00 0.00 C ATOM 912 O LYS A 61 -2.853 5.345 1.796 1.00 0.00 O ATOM 913 CB LYS A 61 -4.009 8.180 0.636 1.00 0.00 C ATOM 914 CG LYS A 61 -4.299 7.635 -0.751 1.00 0.00 C ATOM 915 CD LYS A 61 -5.732 7.914 -1.172 1.00 0.00 C ATOM 916 CE LYS A 61 -5.963 9.397 -1.416 1.00 0.00 C ATOM 917 NZ LYS A 61 -7.376 9.788 -1.160 1.00 0.00 N ATOM 0 H LYS A 61 -1.835 9.229 0.120 1.00 0.00 H new ATOM 0 HA LYS A 61 -2.710 7.822 2.312 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -4.828 7.909 1.302 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -3.982 9.269 0.591 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.614 8.084 -1.470 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.117 6.560 -0.766 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -5.961 7.355 -2.079 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.415 7.561 -0.399 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -5.303 9.978 -0.772 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -5.700 9.641 -2.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -7.492 10.806 -1.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.004 9.252 -1.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.620 9.579 -0.171 1.00 0.00 H new ATOM 931 N GLU A 62 -2.050 5.857 -0.243 1.00 0.00 N ATOM 932 CA GLU A 62 -1.853 4.466 -0.634 1.00 0.00 C ATOM 933 C GLU A 62 -0.699 3.840 0.145 1.00 0.00 C ATOM 934 O GLU A 62 -0.785 2.694 0.587 1.00 0.00 O ATOM 935 CB GLU A 62 -1.580 4.369 -2.136 1.00 0.00 C ATOM 936 CG GLU A 62 -2.837 4.205 -2.974 1.00 0.00 C ATOM 937 CD GLU A 62 -2.575 3.492 -4.286 1.00 0.00 C ATOM 938 OE1 GLU A 62 -1.942 2.415 -4.260 1.00 0.00 O ATOM 939 OE2 GLU A 62 -3.001 4.011 -5.339 1.00 0.00 O ATOM 0 H GLU A 62 -1.784 6.537 -0.955 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.766 3.917 -0.402 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.052 5.266 -2.459 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.917 3.524 -2.322 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.579 3.647 -2.403 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.264 5.187 -3.178 1.00 0.00 H new ATOM 946 N ILE A 63 0.378 4.601 0.308 1.00 0.00 N ATOM 947 CA ILE A 63 1.548 4.122 1.033 1.00 0.00 C ATOM 948 C ILE A 63 1.196 3.773 2.475 1.00 0.00 C ATOM 949 O ILE A 63 1.272 2.614 2.880 1.00 0.00 O ATOM 950 CB ILE A 63 2.679 5.167 1.031 1.00 0.00 C ATOM 951 CG1 ILE A 63 2.893 5.716 -0.381 1.00 0.00 C ATOM 952 CG2 ILE A 63 3.965 4.558 1.569 1.00 0.00 C ATOM 953 CD1 ILE A 63 4.096 6.625 -0.500 1.00 0.00 C ATOM 0 H ILE A 63 0.464 5.551 -0.052 1.00 0.00 H new ATOM 0 HA ILE A 63 1.893 3.225 0.518 1.00 0.00 H new ATOM 0 HB ILE A 63 2.392 5.993 1.682 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.008 4.882 -1.073 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.002 6.264 -0.688 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.755 5.309 1.561 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.804 4.211 2.590 1.00 0.00 H new ATOM 0 HG23 ILE A 63 4.259 3.716 0.942 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.186 6.977 -1.528 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.974 7.479 0.166 1.00 0.00 H new ATOM 0 HD13 ILE A 63 4.996 6.075 -0.224 1.00 0.00 H new ATOM 965 N ASN A 64 0.809 4.784 3.245 1.00 0.00 N ATOM 966 CA ASN A 64 0.443 4.584 4.643 1.00 0.00 C ATOM 967 C ASN A 64 -0.447 3.356 4.802 1.00 0.00 C ATOM 968 O ASN A 64 -0.126 2.437 5.554 1.00 0.00 O ATOM 969 CB ASN A 64 -0.274 5.822 5.186 1.00 0.00 C ATOM 970 CG ASN A 64 0.624 7.044 5.215 1.00 0.00 C ATOM 971 OD1 ASN A 64 1.328 7.288 6.195 1.00 0.00 O ATOM 972 ND2 ASN A 64 0.603 7.819 4.137 1.00 0.00 N ATOM 0 H ASN A 64 0.741 5.750 2.925 1.00 0.00 H new ATOM 0 HA ASN A 64 1.358 4.423 5.213 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -1.148 6.032 4.570 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -0.636 5.616 6.193 1.00 0.00 H new ATOM 0 HD21 ASN A 64 1.186 8.655 4.099 1.00 0.00 H new ATOM 0 HD22 ASN A 64 0.004 7.578 3.347 1.00 0.00 H new ATOM 979 N ASN A 65 -1.568 3.348 4.088 1.00 0.00 N ATOM 980 CA ASN A 65 -2.506 2.233 4.149 1.00 0.00 C ATOM 981 C ASN A 65 -1.784 0.903 3.953 1.00 0.00 C ATOM 982 O ASN A 65 -1.708 0.085 4.868 1.00 0.00 O ATOM 983 CB ASN A 65 -3.595 2.396 3.087 1.00 0.00 C ATOM 984 CG ASN A 65 -4.576 1.239 3.082 1.00 0.00 C ATOM 985 OD1 ASN A 65 -5.526 1.213 3.865 1.00 0.00 O ATOM 986 ND2 ASN A 65 -4.349 0.275 2.198 1.00 0.00 N ATOM 0 H ASN A 65 -1.849 4.101 3.460 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.968 2.234 5.136 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -4.135 3.326 3.264 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -3.131 2.479 2.104 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -4.975 -0.529 2.148 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -3.549 0.338 1.568 1.00 0.00 H new ATOM 993 N ALA A 66 -1.254 0.696 2.752 1.00 0.00 N ATOM 994 CA ALA A 66 -0.535 -0.532 2.435 1.00 0.00 C ATOM 995 C ALA A 66 0.556 -0.810 3.463 1.00 0.00 C ATOM 996 O ALA A 66 0.491 -1.793 4.202 1.00 0.00 O ATOM 997 CB ALA A 66 0.062 -0.449 1.038 1.00 0.00 C ATOM 0 H ALA A 66 -1.309 1.363 1.982 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.246 -1.358 2.466 1.00 0.00 H new ATOM 0 HB1 ALA A 66 0.596 -1.373 0.815 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -0.736 -0.306 0.309 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.754 0.391 0.988 1.00 0.00 H new ATOM 1003 N HIS A 67 1.560 0.061 3.504 1.00 0.00 N ATOM 1004 CA HIS A 67 2.666 -0.091 4.442 1.00 0.00 C ATOM 1005 C HIS A 67 2.167 -0.591 5.795 1.00 0.00 C ATOM 1006 O HIS A 67 2.664 -1.585 6.322 1.00 0.00 O ATOM 1007 CB HIS A 67 3.401 1.238 4.617 1.00 0.00 C ATOM 1008 CG HIS A 67 4.092 1.372 5.939 1.00 0.00 C ATOM 1009 ND1 HIS A 67 3.746 2.321 6.877 1.00 0.00 N ATOM 1010 CD2 HIS A 67 5.115 0.668 6.478 1.00 0.00 C ATOM 1011 CE1 HIS A 67 4.526 2.197 7.935 1.00 0.00 C ATOM 1012 NE2 HIS A 67 5.365 1.200 7.719 1.00 0.00 N ATOM 0 H HIS A 67 1.630 0.879 2.899 1.00 0.00 H new ATOM 0 HA HIS A 67 3.357 -0.829 4.034 1.00 0.00 H new ATOM 0 HB2 HIS A 67 4.137 1.344 3.820 1.00 0.00 H new ATOM 0 HB3 HIS A 67 2.688 2.055 4.505 1.00 0.00 H new ATOM 0 HD2 HIS A 67 5.637 -0.158 6.018 1.00 0.00 H new ATOM 0 HE1 HIS A 67 4.485 2.807 8.825 1.00 0.00 H new ATOM 0 HE2 HIS A 67 6.082 0.878 8.369 1.00 0.00 H new ATOM 1020 N ALA A 68 1.182 0.107 6.351 1.00 0.00 N ATOM 1021 CA ALA A 68 0.615 -0.267 7.641 1.00 0.00 C ATOM 1022 C ALA A 68 0.053 -1.684 7.603 1.00 0.00 C ATOM 1023 O ALA A 68 0.290 -2.481 8.512 1.00 0.00 O ATOM 1024 CB ALA A 68 -0.467 0.722 8.049 1.00 0.00 C ATOM 0 H ALA A 68 0.760 0.934 5.929 1.00 0.00 H new ATOM 0 HA ALA A 68 1.413 -0.241 8.383 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -0.881 0.430 9.014 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.037 1.721 8.126 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.259 0.725 7.300 1.00 0.00 H new ATOM 1030 N ILE A 69 -0.694 -1.992 6.548 1.00 0.00 N ATOM 1031 CA ILE A 69 -1.290 -3.313 6.393 1.00 0.00 C ATOM 1032 C ILE A 69 -0.216 -4.389 6.276 1.00 0.00 C ATOM 1033 O ILE A 69 -0.481 -5.572 6.496 1.00 0.00 O ATOM 1034 CB ILE A 69 -2.203 -3.377 5.154 1.00 0.00 C ATOM 1035 CG1 ILE A 69 -3.381 -2.414 5.312 1.00 0.00 C ATOM 1036 CG2 ILE A 69 -2.699 -4.798 4.935 1.00 0.00 C ATOM 1037 CD1 ILE A 69 -3.968 -1.956 3.995 1.00 0.00 C ATOM 0 H ILE A 69 -0.901 -1.344 5.788 1.00 0.00 H new ATOM 0 HA ILE A 69 -1.889 -3.496 7.285 1.00 0.00 H new ATOM 0 HB ILE A 69 -1.626 -3.076 4.279 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -4.161 -2.900 5.899 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -3.053 -1.542 5.877 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.343 -4.827 4.056 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -1.847 -5.461 4.783 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -3.263 -5.125 5.809 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -4.799 -1.276 4.184 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -3.202 -1.441 3.415 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -4.327 -2.820 3.436 1.00 0.00 H new ATOM 1049 N LEU A 70 0.996 -3.973 5.929 1.00 0.00 N ATOM 1050 CA LEU A 70 2.112 -4.901 5.784 1.00 0.00 C ATOM 1051 C LEU A 70 2.874 -5.046 7.097 1.00 0.00 C ATOM 1052 O LEU A 70 2.907 -6.124 7.693 1.00 0.00 O ATOM 1053 CB LEU A 70 3.059 -4.423 4.682 1.00 0.00 C ATOM 1054 CG LEU A 70 2.534 -4.533 3.250 1.00 0.00 C ATOM 1055 CD1 LEU A 70 3.595 -4.089 2.256 1.00 0.00 C ATOM 1056 CD2 LEU A 70 2.085 -5.957 2.955 1.00 0.00 C ATOM 0 H LEU A 70 1.232 -2.998 5.743 1.00 0.00 H new ATOM 0 HA LEU A 70 1.708 -5.876 5.510 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.312 -3.381 4.876 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.984 -4.994 4.753 1.00 0.00 H new ATOM 0 HG LEU A 70 1.673 -3.873 3.148 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.203 -4.174 1.243 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.867 -3.052 2.453 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.477 -4.722 2.358 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.714 -6.017 1.932 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.928 -6.637 3.076 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.290 -6.238 3.646 1.00 0.00 H new ATOM 1068 N THR A 71 3.484 -3.953 7.545 1.00 0.00 N ATOM 1069 CA THR A 71 4.244 -3.958 8.789 1.00 0.00 C ATOM 1070 C THR A 71 3.496 -4.703 9.888 1.00 0.00 C ATOM 1071 O THR A 71 4.088 -5.479 10.639 1.00 0.00 O ATOM 1072 CB THR A 71 4.546 -2.526 9.268 1.00 0.00 C ATOM 1073 OG1 THR A 71 4.702 -2.508 10.692 1.00 0.00 O ATOM 1074 CG2 THR A 71 3.430 -1.574 8.864 1.00 0.00 C ATOM 0 H THR A 71 3.467 -3.053 7.065 1.00 0.00 H new ATOM 0 HA THR A 71 5.184 -4.470 8.583 1.00 0.00 H new ATOM 0 HB THR A 71 5.472 -2.197 8.797 1.00 0.00 H new ATOM 0 HG1 THR A 71 4.895 -1.594 10.988 1.00 0.00 H new ATOM 0 HG21 THR A 71 3.665 -0.569 9.213 1.00 0.00 H new ATOM 0 HG22 THR A 71 3.332 -1.568 7.778 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.492 -1.903 9.311 1.00 0.00 H new ATOM 1082 N ASP A 72 2.192 -4.464 9.977 1.00 0.00 N ATOM 1083 CA ASP A 72 1.362 -5.114 10.984 1.00 0.00 C ATOM 1084 C ASP A 72 1.233 -6.607 10.700 1.00 0.00 C ATOM 1085 O ASP A 72 1.678 -7.092 9.660 1.00 0.00 O ATOM 1086 CB ASP A 72 -0.024 -4.468 11.028 1.00 0.00 C ATOM 1087 CG ASP A 72 -0.774 -4.619 9.719 1.00 0.00 C ATOM 1088 OD1 ASP A 72 -0.361 -5.458 8.892 1.00 0.00 O ATOM 1089 OD2 ASP A 72 -1.775 -3.898 9.522 1.00 0.00 O ATOM 0 H ASP A 72 1.687 -3.825 9.363 1.00 0.00 H new ATOM 0 HA ASP A 72 1.844 -4.987 11.954 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.607 -4.919 11.831 1.00 0.00 H new ATOM 0 HB3 ASP A 72 0.079 -3.409 11.264 1.00 0.00 H new ATOM 1094 N ALA A 73 0.620 -7.331 11.632 1.00 0.00 N ATOM 1095 CA ALA A 73 0.431 -8.768 11.481 1.00 0.00 C ATOM 1096 C ALA A 73 -1.048 -9.118 11.361 1.00 0.00 C ATOM 1097 O ALA A 73 -1.442 -9.916 10.509 1.00 0.00 O ATOM 1098 CB ALA A 73 1.057 -9.508 12.654 1.00 0.00 C ATOM 0 H ALA A 73 0.246 -6.945 12.499 1.00 0.00 H new ATOM 0 HA ALA A 73 0.927 -9.080 10.562 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.909 -10.581 12.529 1.00 0.00 H new ATOM 0 HB2 ALA A 73 2.125 -9.292 12.693 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.587 -9.183 13.582 1.00 0.00 H new ATOM 1104 N THR A 74 -1.865 -8.515 12.219 1.00 0.00 N ATOM 1105 CA THR A 74 -3.301 -8.765 12.210 1.00 0.00 C ATOM 1106 C THR A 74 -3.876 -8.619 10.806 1.00 0.00 C ATOM 1107 O THR A 74 -4.600 -9.491 10.326 1.00 0.00 O ATOM 1108 CB THR A 74 -4.044 -7.805 13.159 1.00 0.00 C ATOM 1109 OG1 THR A 74 -3.629 -8.033 14.510 1.00 0.00 O ATOM 1110 CG2 THR A 74 -5.550 -7.990 13.047 1.00 0.00 C ATOM 0 H THR A 74 -1.557 -7.850 12.929 1.00 0.00 H new ATOM 0 HA THR A 74 -3.446 -9.789 12.554 1.00 0.00 H new ATOM 0 HB THR A 74 -3.798 -6.783 12.872 1.00 0.00 H new ATOM 0 HG1 THR A 74 -4.104 -7.418 15.107 1.00 0.00 H new ATOM 0 HG21 THR A 74 -6.053 -7.302 13.726 1.00 0.00 H new ATOM 0 HG22 THR A 74 -5.867 -7.786 12.024 1.00 0.00 H new ATOM 0 HG23 THR A 74 -5.811 -9.015 13.310 1.00 0.00 H new ATOM 1118 N LYS A 75 -3.549 -7.510 10.150 1.00 0.00 N ATOM 1119 CA LYS A 75 -4.031 -7.250 8.799 1.00 0.00 C ATOM 1120 C LYS A 75 -3.274 -8.095 7.779 1.00 0.00 C ATOM 1121 O LYS A 75 -3.867 -8.903 7.065 1.00 0.00 O ATOM 1122 CB LYS A 75 -3.882 -5.765 8.459 1.00 0.00 C ATOM 1123 CG LYS A 75 -4.599 -4.844 9.431 1.00 0.00 C ATOM 1124 CD LYS A 75 -4.758 -3.446 8.858 1.00 0.00 C ATOM 1125 CE LYS A 75 -6.060 -3.305 8.084 1.00 0.00 C ATOM 1126 NZ LYS A 75 -6.466 -1.880 7.935 1.00 0.00 N ATOM 0 H LYS A 75 -2.952 -6.777 10.533 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.086 -7.522 8.758 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -2.823 -5.509 8.443 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -4.267 -5.590 7.454 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -5.580 -5.255 9.667 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -4.041 -4.794 10.366 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -4.733 -2.715 9.667 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -3.917 -3.223 8.201 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -5.947 -3.755 7.098 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -6.849 -3.855 8.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -7.358 -1.827 7.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -6.599 -1.457 8.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -5.725 -1.360 7.423 1.00 0.00 H new ATOM 1140 N ARG A 76 -1.960 -7.902 7.717 1.00 0.00 N ATOM 1141 CA ARG A 76 -1.122 -8.647 6.785 1.00 0.00 C ATOM 1142 C ARG A 76 -1.607 -10.087 6.649 1.00 0.00 C ATOM 1143 O ARG A 76 -1.561 -10.669 5.566 1.00 0.00 O ATOM 1144 CB ARG A 76 0.335 -8.629 7.250 1.00 0.00 C ATOM 1145 CG ARG A 76 1.293 -9.296 6.277 1.00 0.00 C ATOM 1146 CD ARG A 76 2.708 -9.343 6.832 1.00 0.00 C ATOM 1147 NE ARG A 76 3.597 -10.149 5.999 1.00 0.00 N ATOM 1148 CZ ARG A 76 3.525 -11.473 5.915 1.00 0.00 C ATOM 1149 NH1 ARG A 76 2.610 -12.136 6.609 1.00 0.00 N ATOM 1150 NH2 ARG A 76 4.368 -12.137 5.135 1.00 0.00 N ATOM 0 H ARG A 76 -1.453 -7.236 8.301 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.190 -8.166 5.809 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.646 -7.596 7.402 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.405 -9.129 8.216 1.00 0.00 H new ATOM 0 HG2 ARG A 76 0.951 -10.309 6.064 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.290 -8.753 5.332 1.00 0.00 H new ATOM 0 HD2 ARG A 76 3.102 -8.329 6.907 1.00 0.00 H new ATOM 0 HD3 ARG A 76 2.688 -9.752 7.842 1.00 0.00 H new ATOM 0 HE ARG A 76 4.312 -9.669 5.452 1.00 0.00 H new ATOM 0 HH11 ARG A 76 1.959 -11.630 7.209 1.00 0.00 H new ATOM 0 HH12 ARG A 76 2.557 -13.152 6.543 1.00 0.00 H new ATOM 0 HH21 ARG A 76 5.073 -11.631 4.599 1.00 0.00 H new ATOM 0 HH22 ARG A 76 4.311 -13.153 5.072 1.00 0.00 H new ATOM 1164 N ASN A 77 -2.071 -10.657 7.757 1.00 0.00 N ATOM 1165 CA ASN A 77 -2.563 -12.030 7.762 1.00 0.00 C ATOM 1166 C ASN A 77 -3.858 -12.147 6.964 1.00 0.00 C ATOM 1167 O ASN A 77 -4.000 -13.031 6.119 1.00 0.00 O ATOM 1168 CB ASN A 77 -2.791 -12.506 9.198 1.00 0.00 C ATOM 1169 CG ASN A 77 -3.065 -13.996 9.276 1.00 0.00 C ATOM 1170 OD1 ASN A 77 -2.573 -14.773 8.457 1.00 0.00 O ATOM 1171 ND2 ASN A 77 -3.854 -14.401 10.265 1.00 0.00 N ATOM 0 H ASN A 77 -2.116 -10.189 8.662 1.00 0.00 H new ATOM 0 HA ASN A 77 -1.809 -12.662 7.292 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -1.914 -12.268 9.800 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -3.631 -11.962 9.629 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -4.074 -15.392 10.369 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -4.240 -13.721 10.921 1.00 0.00 H new ATOM 1178 N ILE A 78 -4.798 -11.248 7.237 1.00 0.00 N ATOM 1179 CA ILE A 78 -6.079 -11.249 6.543 1.00 0.00 C ATOM 1180 C ILE A 78 -5.888 -11.131 5.035 1.00 0.00 C ATOM 1181 O ILE A 78 -6.641 -11.716 4.256 1.00 0.00 O ATOM 1182 CB ILE A 78 -6.982 -10.099 7.027 1.00 0.00 C ATOM 1183 CG1 ILE A 78 -7.404 -10.329 8.480 1.00 0.00 C ATOM 1184 CG2 ILE A 78 -8.204 -9.971 6.129 1.00 0.00 C ATOM 1185 CD1 ILE A 78 -7.992 -9.101 9.140 1.00 0.00 C ATOM 0 H ILE A 78 -4.696 -10.510 7.934 1.00 0.00 H new ATOM 0 HA ILE A 78 -6.561 -12.199 6.772 1.00 0.00 H new ATOM 0 HB ILE A 78 -6.418 -9.168 6.975 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -8.136 -11.136 8.514 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.538 -10.660 9.053 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -8.832 -9.154 6.484 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -7.885 -9.766 5.107 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -8.771 -10.901 6.152 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -8.269 -9.337 10.168 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -7.254 -8.299 9.138 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -8.877 -8.781 8.590 1.00 0.00 H new ATOM 1197 N TYR A 79 -4.876 -10.372 4.630 1.00 0.00 N ATOM 1198 CA TYR A 79 -4.586 -10.176 3.215 1.00 0.00 C ATOM 1199 C TYR A 79 -3.961 -11.429 2.609 1.00 0.00 C ATOM 1200 O TYR A 79 -4.322 -11.846 1.508 1.00 0.00 O ATOM 1201 CB TYR A 79 -3.648 -8.982 3.026 1.00 0.00 C ATOM 1202 CG TYR A 79 -3.458 -8.585 1.579 1.00 0.00 C ATOM 1203 CD1 TYR A 79 -4.450 -7.896 0.892 1.00 0.00 C ATOM 1204 CD2 TYR A 79 -2.288 -8.899 0.899 1.00 0.00 C ATOM 1205 CE1 TYR A 79 -4.282 -7.531 -0.430 1.00 0.00 C ATOM 1206 CE2 TYR A 79 -2.110 -8.537 -0.422 1.00 0.00 C ATOM 1207 CZ TYR A 79 -3.110 -7.854 -1.082 1.00 0.00 C ATOM 1208 OH TYR A 79 -2.938 -7.493 -2.399 1.00 0.00 O ATOM 0 H TYR A 79 -4.243 -9.882 5.262 1.00 0.00 H new ATOM 0 HA TYR A 79 -5.526 -9.976 2.701 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -4.042 -8.130 3.579 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -2.677 -9.221 3.459 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -5.368 -7.641 1.400 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -1.504 -9.436 1.412 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -5.063 -6.996 -0.950 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -1.193 -8.787 -0.935 1.00 0.00 H new ATOM 0 HH TYR A 79 -3.439 -6.670 -2.581 1.00 0.00 H new ATOM 1218 N ASP A 80 -3.022 -12.025 3.336 1.00 0.00 N ATOM 1219 CA ASP A 80 -2.347 -13.232 2.872 1.00 0.00 C ATOM 1220 C ASP A 80 -3.342 -14.373 2.685 1.00 0.00 C ATOM 1221 O ASP A 80 -3.210 -15.182 1.766 1.00 0.00 O ATOM 1222 CB ASP A 80 -1.258 -13.645 3.863 1.00 0.00 C ATOM 1223 CG ASP A 80 -0.155 -12.612 3.975 1.00 0.00 C ATOM 1224 OD1 ASP A 80 0.350 -12.166 2.923 1.00 0.00 O ATOM 1225 OD2 ASP A 80 0.204 -12.248 5.114 1.00 0.00 O ATOM 0 H ASP A 80 -2.711 -11.692 4.249 1.00 0.00 H new ATOM 0 HA ASP A 80 -1.887 -13.014 1.908 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -1.705 -13.803 4.845 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -0.829 -14.597 3.551 1.00 0.00 H new ATOM 1230 N LYS A 81 -4.338 -14.433 3.562 1.00 0.00 N ATOM 1231 CA LYS A 81 -5.356 -15.475 3.495 1.00 0.00 C ATOM 1232 C LYS A 81 -6.447 -15.105 2.495 1.00 0.00 C ATOM 1233 O LYS A 81 -6.745 -15.870 1.577 1.00 0.00 O ATOM 1234 CB LYS A 81 -5.973 -15.703 4.877 1.00 0.00 C ATOM 1235 CG LYS A 81 -5.146 -16.613 5.769 1.00 0.00 C ATOM 1236 CD LYS A 81 -5.985 -17.209 6.887 1.00 0.00 C ATOM 1237 CE LYS A 81 -6.634 -18.517 6.461 1.00 0.00 C ATOM 1238 NZ LYS A 81 -5.728 -19.680 6.672 1.00 0.00 N ATOM 0 H LYS A 81 -4.462 -13.772 4.328 1.00 0.00 H new ATOM 0 HA LYS A 81 -4.877 -16.396 3.161 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -6.100 -14.740 5.372 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -6.967 -16.133 4.755 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -4.713 -17.415 5.171 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -4.316 -16.050 6.196 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -5.358 -17.381 7.762 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -6.757 -16.498 7.183 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -7.554 -18.667 7.025 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -6.911 -18.459 5.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -6.207 -20.552 6.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -4.860 -19.550 6.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -5.483 -19.751 7.680 1.00 0.00 H new ATOM 1252 N TYR A 82 -7.037 -13.930 2.677 1.00 0.00 N ATOM 1253 CA TYR A 82 -8.095 -13.460 1.791 1.00 0.00 C ATOM 1254 C TYR A 82 -7.559 -12.432 0.799 1.00 0.00 C ATOM 1255 O TYR A 82 -7.463 -12.699 -0.398 1.00 0.00 O ATOM 1256 CB TYR A 82 -9.238 -12.852 2.605 1.00 0.00 C ATOM 1257 CG TYR A 82 -9.606 -13.658 3.830 1.00 0.00 C ATOM 1258 CD1 TYR A 82 -9.547 -15.047 3.815 1.00 0.00 C ATOM 1259 CD2 TYR A 82 -10.012 -13.033 5.002 1.00 0.00 C ATOM 1260 CE1 TYR A 82 -9.882 -15.788 4.931 1.00 0.00 C ATOM 1261 CE2 TYR A 82 -10.348 -13.766 6.124 1.00 0.00 C ATOM 1262 CZ TYR A 82 -10.281 -15.143 6.083 1.00 0.00 C ATOM 1263 OH TYR A 82 -10.616 -15.877 7.198 1.00 0.00 O ATOM 0 H TYR A 82 -6.801 -13.285 3.431 1.00 0.00 H new ATOM 0 HA TYR A 82 -8.472 -14.316 1.231 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -8.957 -11.845 2.914 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -10.116 -12.756 1.967 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -9.234 -15.555 2.915 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -10.066 -11.955 5.037 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -9.832 -16.866 4.902 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -10.661 -13.264 7.027 1.00 0.00 H new ATOM 0 HH TYR A 82 -10.874 -15.271 7.923 1.00 0.00 H new ATOM 1273 N GLY A 83 -7.210 -11.254 1.308 1.00 0.00 N ATOM 1274 CA GLY A 83 -6.687 -10.203 0.455 1.00 0.00 C ATOM 1275 C GLY A 83 -7.424 -8.891 0.634 1.00 0.00 C ATOM 1276 O GLY A 83 -7.454 -8.332 1.730 1.00 0.00 O ATOM 0 H GLY A 83 -7.280 -11.009 2.296 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -5.629 -10.055 0.673 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -6.757 -10.516 -0.587 1.00 0.00 H new ATOM 1280 N SER A 84 -8.020 -8.396 -0.447 1.00 0.00 N ATOM 1281 CA SER A 84 -8.756 -7.138 -0.405 1.00 0.00 C ATOM 1282 C SER A 84 -10.087 -7.310 0.320 1.00 0.00 C ATOM 1283 O SER A 84 -10.387 -6.589 1.272 1.00 0.00 O ATOM 1284 CB SER A 84 -8.998 -6.617 -1.823 1.00 0.00 C ATOM 1285 OG SER A 84 -9.845 -5.482 -1.812 1.00 0.00 O ATOM 0 H SER A 84 -8.007 -8.847 -1.362 1.00 0.00 H new ATOM 0 HA SER A 84 -8.155 -6.413 0.144 1.00 0.00 H new ATOM 0 HB2 SER A 84 -8.046 -6.359 -2.286 1.00 0.00 H new ATOM 0 HB3 SER A 84 -9.446 -7.403 -2.431 1.00 0.00 H new ATOM 0 HG SER A 84 -9.983 -5.168 -2.730 1.00 0.00 H new ATOM 1291 N LEU A 85 -10.882 -8.271 -0.138 1.00 0.00 N ATOM 1292 CA LEU A 85 -12.182 -8.541 0.466 1.00 0.00 C ATOM 1293 C LEU A 85 -12.085 -8.547 1.988 1.00 0.00 C ATOM 1294 O LEU A 85 -12.841 -7.857 2.671 1.00 0.00 O ATOM 1295 CB LEU A 85 -12.727 -9.882 -0.027 1.00 0.00 C ATOM 1296 CG LEU A 85 -14.250 -10.008 -0.085 1.00 0.00 C ATOM 1297 CD1 LEU A 85 -14.866 -9.660 1.261 1.00 0.00 C ATOM 1298 CD2 LEU A 85 -14.818 -9.115 -1.179 1.00 0.00 C ATOM 0 H LEU A 85 -10.649 -8.876 -0.925 1.00 0.00 H new ATOM 0 HA LEU A 85 -12.866 -7.746 0.167 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -12.329 -10.068 -1.024 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -12.342 -10.669 0.622 1.00 0.00 H new ATOM 0 HG LEU A 85 -14.501 -11.042 -0.320 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -15.950 -9.755 1.201 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -14.484 -10.340 2.023 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -14.606 -8.635 1.526 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -15.903 -9.218 -1.206 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -14.557 -8.077 -0.974 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -14.402 -9.410 -2.142 1.00 0.00 H new ATOM 1310 N GLY A 86 -11.148 -9.330 2.513 1.00 0.00 N ATOM 1311 CA GLY A 86 -10.968 -9.409 3.951 1.00 0.00 C ATOM 1312 C GLY A 86 -10.931 -8.043 4.607 1.00 0.00 C ATOM 1313 O GLY A 86 -11.633 -7.799 5.589 1.00 0.00 O ATOM 0 H GLY A 86 -10.510 -9.911 1.969 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -11.779 -9.995 4.384 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -10.041 -9.939 4.169 1.00 0.00 H new ATOM 1317 N LEU A 87 -10.110 -7.150 4.065 1.00 0.00 N ATOM 1318 CA LEU A 87 -9.983 -5.801 4.605 1.00 0.00 C ATOM 1319 C LEU A 87 -11.326 -5.078 4.586 1.00 0.00 C ATOM 1320 O LEU A 87 -11.802 -4.601 5.617 1.00 0.00 O ATOM 1321 CB LEU A 87 -8.951 -5.005 3.805 1.00 0.00 C ATOM 1322 CG LEU A 87 -7.580 -5.661 3.638 1.00 0.00 C ATOM 1323 CD1 LEU A 87 -6.751 -4.911 2.607 1.00 0.00 C ATOM 1324 CD2 LEU A 87 -6.850 -5.719 4.972 1.00 0.00 C ATOM 0 H LEU A 87 -9.522 -7.336 3.252 1.00 0.00 H new ATOM 0 HA LEU A 87 -9.649 -5.881 5.639 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -9.361 -4.809 2.814 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -8.812 -4.038 4.289 1.00 0.00 H new ATOM 0 HG LEU A 87 -7.728 -6.681 3.283 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.779 -5.392 2.502 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.267 -4.922 1.647 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.612 -3.880 2.932 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -5.876 -6.189 4.834 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.714 -4.708 5.356 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.436 -6.301 5.683 1.00 0.00 H new ATOM 1336 N TYR A 88 -11.934 -5.002 3.407 1.00 0.00 N ATOM 1337 CA TYR A 88 -13.223 -4.337 3.253 1.00 0.00 C ATOM 1338 C TYR A 88 -14.156 -4.684 4.409 1.00 0.00 C ATOM 1339 O TYR A 88 -14.544 -3.816 5.191 1.00 0.00 O ATOM 1340 CB TYR A 88 -13.869 -4.734 1.924 1.00 0.00 C ATOM 1341 CG TYR A 88 -15.380 -4.680 1.946 1.00 0.00 C ATOM 1342 CD1 TYR A 88 -16.049 -3.650 2.596 1.00 0.00 C ATOM 1343 CD2 TYR A 88 -16.139 -5.659 1.316 1.00 0.00 C ATOM 1344 CE1 TYR A 88 -17.429 -3.597 2.619 1.00 0.00 C ATOM 1345 CE2 TYR A 88 -17.519 -5.613 1.333 1.00 0.00 C ATOM 1346 CZ TYR A 88 -18.160 -4.581 1.986 1.00 0.00 C ATOM 1347 OH TYR A 88 -19.535 -4.531 2.005 1.00 0.00 O ATOM 0 H TYR A 88 -11.555 -5.393 2.544 1.00 0.00 H new ATOM 0 HA TYR A 88 -13.052 -3.261 3.259 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -13.501 -4.073 1.139 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -13.554 -5.744 1.664 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -15.480 -2.877 3.092 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -15.641 -6.469 0.804 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -17.933 -2.790 3.130 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -18.094 -6.381 0.837 1.00 0.00 H new ATOM 0 HH TYR A 88 -19.897 -5.297 1.513 1.00 0.00 H new ATOM 1357 N VAL A 89 -14.513 -5.960 4.511 1.00 0.00 N ATOM 1358 CA VAL A 89 -15.399 -6.424 5.572 1.00 0.00 C ATOM 1359 C VAL A 89 -14.898 -5.978 6.941 1.00 0.00 C ATOM 1360 O VAL A 89 -15.563 -5.211 7.637 1.00 0.00 O ATOM 1361 CB VAL A 89 -15.532 -7.959 5.561 1.00 0.00 C ATOM 1362 CG1 VAL A 89 -16.741 -8.395 6.374 1.00 0.00 C ATOM 1363 CG2 VAL A 89 -15.625 -8.475 4.133 1.00 0.00 C ATOM 0 H VAL A 89 -14.202 -6.691 3.872 1.00 0.00 H new ATOM 0 HA VAL A 89 -16.377 -5.981 5.384 1.00 0.00 H new ATOM 0 HB VAL A 89 -14.641 -8.388 6.020 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -16.819 -9.482 6.355 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -16.628 -8.057 7.404 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -17.644 -7.959 5.946 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -15.718 -9.561 4.144 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -16.498 -8.041 3.645 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -14.726 -8.194 3.585 1.00 0.00 H new ATOM 1373 N ALA A 90 -13.720 -6.464 7.321 1.00 0.00 N ATOM 1374 CA ALA A 90 -13.128 -6.113 8.606 1.00 0.00 C ATOM 1375 C ALA A 90 -13.135 -4.603 8.820 1.00 0.00 C ATOM 1376 O ALA A 90 -12.980 -4.126 9.943 1.00 0.00 O ATOM 1377 CB ALA A 90 -11.709 -6.655 8.698 1.00 0.00 C ATOM 0 H ALA A 90 -13.158 -7.101 6.757 1.00 0.00 H new ATOM 0 HA ALA A 90 -13.731 -6.567 9.392 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -11.279 -6.386 9.663 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -11.727 -7.740 8.599 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -11.104 -6.228 7.899 1.00 0.00 H new ATOM 1383 N GLU A 91 -13.316 -3.857 7.734 1.00 0.00 N ATOM 1384 CA GLU A 91 -13.341 -2.401 7.805 1.00 0.00 C ATOM 1385 C GLU A 91 -14.519 -1.917 8.646 1.00 0.00 C ATOM 1386 O GLU A 91 -14.335 -1.262 9.672 1.00 0.00 O ATOM 1387 CB GLU A 91 -13.424 -1.801 6.400 1.00 0.00 C ATOM 1388 CG GLU A 91 -12.872 -0.389 6.307 1.00 0.00 C ATOM 1389 CD GLU A 91 -11.383 -0.324 6.591 1.00 0.00 C ATOM 1390 OE1 GLU A 91 -10.641 -1.176 6.058 1.00 0.00 O ATOM 1391 OE2 GLU A 91 -10.961 0.576 7.346 1.00 0.00 O ATOM 0 H GLU A 91 -13.447 -4.237 6.796 1.00 0.00 H new ATOM 0 HA GLU A 91 -12.417 -2.071 8.280 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -12.878 -2.442 5.708 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -14.465 -1.797 6.077 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -13.066 0.008 5.310 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -13.401 0.251 7.013 1.00 0.00 H new ATOM 1398 N GLN A 92 -15.729 -2.245 8.203 1.00 0.00 N ATOM 1399 CA GLN A 92 -16.937 -1.843 8.914 1.00 0.00 C ATOM 1400 C GLN A 92 -17.450 -2.974 9.799 1.00 0.00 C ATOM 1401 O GLN A 92 -17.955 -2.738 10.897 1.00 0.00 O ATOM 1402 CB GLN A 92 -18.023 -1.424 7.921 1.00 0.00 C ATOM 1403 CG GLN A 92 -18.411 -2.523 6.945 1.00 0.00 C ATOM 1404 CD GLN A 92 -17.591 -2.489 5.671 1.00 0.00 C ATOM 1405 OE1 GLN A 92 -16.923 -3.463 5.323 1.00 0.00 O ATOM 1406 NE2 GLN A 92 -17.636 -1.363 4.968 1.00 0.00 N ATOM 0 H GLN A 92 -15.898 -2.787 7.356 1.00 0.00 H new ATOM 0 HA GLN A 92 -16.688 -0.993 9.550 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -18.909 -1.111 8.474 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -17.675 -0.557 7.360 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -18.286 -3.493 7.427 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -19.467 -2.425 6.695 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -18.203 -0.581 5.294 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -17.103 -1.281 4.102 1.00 0.00 H new ATOM 1415 N PHE A 93 -17.316 -4.205 9.315 1.00 0.00 N ATOM 1416 CA PHE A 93 -17.767 -5.373 10.062 1.00 0.00 C ATOM 1417 C PHE A 93 -16.907 -5.591 11.303 1.00 0.00 C ATOM 1418 O PHE A 93 -17.333 -5.313 12.423 1.00 0.00 O ATOM 1419 CB PHE A 93 -17.726 -6.619 9.174 1.00 0.00 C ATOM 1420 CG PHE A 93 -18.738 -6.599 8.065 1.00 0.00 C ATOM 1421 CD1 PHE A 93 -18.519 -5.848 6.922 1.00 0.00 C ATOM 1422 CD2 PHE A 93 -19.911 -7.331 8.167 1.00 0.00 C ATOM 1423 CE1 PHE A 93 -19.448 -5.828 5.899 1.00 0.00 C ATOM 1424 CE2 PHE A 93 -20.844 -7.314 7.147 1.00 0.00 C ATOM 1425 CZ PHE A 93 -20.613 -6.561 6.013 1.00 0.00 C ATOM 0 H PHE A 93 -16.899 -4.419 8.409 1.00 0.00 H new ATOM 0 HA PHE A 93 -18.794 -5.195 10.380 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -16.729 -6.716 8.744 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -17.893 -7.501 9.792 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -17.611 -5.271 6.829 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -20.098 -7.921 9.052 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -19.263 -5.240 5.012 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -21.753 -7.890 7.237 1.00 0.00 H new ATOM 0 HZ PHE A 93 -21.342 -6.545 5.216 1.00 0.00 H new ATOM 1435 N GLY A 94 -15.692 -6.090 11.094 1.00 0.00 N ATOM 1436 CA GLY A 94 -14.791 -6.338 12.205 1.00 0.00 C ATOM 1437 C GLY A 94 -13.950 -7.583 12.003 1.00 0.00 C ATOM 1438 O GLY A 94 -14.471 -8.639 11.646 1.00 0.00 O ATOM 0 H GLY A 94 -15.316 -6.327 10.176 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -14.135 -5.477 12.336 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -15.370 -6.440 13.123 1.00 0.00 H new ATOM 1442 N GLU A 95 -12.646 -7.457 12.229 1.00 0.00 N ATOM 1443 CA GLU A 95 -11.732 -8.582 12.067 1.00 0.00 C ATOM 1444 C GLU A 95 -12.373 -9.879 12.552 1.00 0.00 C ATOM 1445 O GLU A 95 -12.305 -10.906 11.878 1.00 0.00 O ATOM 1446 CB GLU A 95 -10.432 -8.325 12.832 1.00 0.00 C ATOM 1447 CG GLU A 95 -9.716 -7.055 12.406 1.00 0.00 C ATOM 1448 CD GLU A 95 -8.900 -6.441 13.528 1.00 0.00 C ATOM 1449 OE1 GLU A 95 -9.134 -6.807 14.699 1.00 0.00 O ATOM 1450 OE2 GLU A 95 -8.030 -5.595 13.235 1.00 0.00 O ATOM 0 H GLU A 95 -12.199 -6.589 12.524 1.00 0.00 H new ATOM 0 HA GLU A 95 -11.507 -8.684 11.005 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -10.653 -8.267 13.898 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -9.763 -9.174 12.691 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -9.060 -7.277 11.564 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -10.450 -6.329 12.056 1.00 0.00 H new ATOM 1457 N GLU A 96 -12.995 -9.822 13.726 1.00 0.00 N ATOM 1458 CA GLU A 96 -13.647 -10.992 14.302 1.00 0.00 C ATOM 1459 C GLU A 96 -14.836 -11.427 13.450 1.00 0.00 C ATOM 1460 O GLU A 96 -15.093 -12.619 13.286 1.00 0.00 O ATOM 1461 CB GLU A 96 -14.109 -10.695 15.729 1.00 0.00 C ATOM 1462 CG GLU A 96 -14.703 -11.899 16.440 1.00 0.00 C ATOM 1463 CD GLU A 96 -14.708 -11.743 17.948 1.00 0.00 C ATOM 1464 OE1 GLU A 96 -13.613 -11.735 18.547 1.00 0.00 O ATOM 1465 OE2 GLU A 96 -15.808 -11.628 18.530 1.00 0.00 O ATOM 0 H GLU A 96 -13.061 -8.979 14.296 1.00 0.00 H new ATOM 0 HA GLU A 96 -12.922 -11.806 14.325 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -13.262 -10.324 16.306 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -14.851 -9.897 15.703 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -15.724 -12.055 16.091 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -14.135 -12.790 16.173 1.00 0.00 H new ATOM 1472 N ASN A 97 -15.558 -10.450 12.911 1.00 0.00 N ATOM 1473 CA ASN A 97 -16.721 -10.731 12.077 1.00 0.00 C ATOM 1474 C ASN A 97 -16.303 -11.381 10.762 1.00 0.00 C ATOM 1475 O ASN A 97 -17.088 -12.089 10.130 1.00 0.00 O ATOM 1476 CB ASN A 97 -17.497 -9.442 11.797 1.00 0.00 C ATOM 1477 CG ASN A 97 -17.984 -8.773 13.068 1.00 0.00 C ATOM 1478 OD1 ASN A 97 -17.346 -7.853 13.582 1.00 0.00 O ATOM 1479 ND2 ASN A 97 -19.119 -9.233 13.582 1.00 0.00 N ATOM 0 H ASN A 97 -15.359 -9.458 13.037 1.00 0.00 H new ATOM 0 HA ASN A 97 -17.365 -11.425 12.617 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -16.860 -8.750 11.246 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -18.351 -9.667 11.158 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -19.495 -8.822 14.436 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -19.614 -9.997 13.122 1.00 0.00 H new ATOM 1486 N VAL A 98 -15.062 -11.137 10.355 1.00 0.00 N ATOM 1487 CA VAL A 98 -14.538 -11.700 9.116 1.00 0.00 C ATOM 1488 C VAL A 98 -14.436 -13.219 9.203 1.00 0.00 C ATOM 1489 O VAL A 98 -14.635 -13.922 8.213 1.00 0.00 O ATOM 1490 CB VAL A 98 -13.151 -11.122 8.779 1.00 0.00 C ATOM 1491 CG1 VAL A 98 -12.632 -11.704 7.473 1.00 0.00 C ATOM 1492 CG2 VAL A 98 -13.210 -9.603 8.709 1.00 0.00 C ATOM 0 H VAL A 98 -14.400 -10.553 10.865 1.00 0.00 H new ATOM 0 HA VAL A 98 -15.238 -11.430 8.325 1.00 0.00 H new ATOM 0 HB VAL A 98 -12.458 -11.400 9.573 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -11.651 -11.284 7.252 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -12.550 -12.787 7.564 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -13.322 -11.459 6.666 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -12.221 -9.211 8.470 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -13.917 -9.302 7.936 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -13.534 -9.207 9.671 1.00 0.00 H new ATOM 1502 N ASN A 99 -14.124 -13.718 10.394 1.00 0.00 N ATOM 1503 CA ASN A 99 -13.996 -15.155 10.611 1.00 0.00 C ATOM 1504 C ASN A 99 -15.343 -15.852 10.449 1.00 0.00 C ATOM 1505 O ASN A 99 -15.504 -16.726 9.596 1.00 0.00 O ATOM 1506 CB ASN A 99 -13.429 -15.433 12.005 1.00 0.00 C ATOM 1507 CG ASN A 99 -11.969 -15.042 12.124 1.00 0.00 C ATOM 1508 OD1 ASN A 99 -11.079 -15.889 12.041 1.00 0.00 O ATOM 1509 ND2 ASN A 99 -11.715 -13.753 12.320 1.00 0.00 N ATOM 0 H ASN A 99 -13.955 -13.149 11.224 1.00 0.00 H new ATOM 0 HA ASN A 99 -13.310 -15.551 9.862 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -14.011 -14.885 12.747 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -13.538 -16.493 12.234 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -10.751 -13.431 12.408 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -12.484 -13.085 12.382 1.00 0.00 H new ATOM 1516 N THR A 100 -16.309 -15.460 11.273 1.00 0.00 N ATOM 1517 CA THR A 100 -17.642 -16.047 11.223 1.00 0.00 C ATOM 1518 C THR A 100 -18.273 -15.861 9.847 1.00 0.00 C ATOM 1519 O THR A 100 -19.297 -16.469 9.536 1.00 0.00 O ATOM 1520 CB THR A 100 -18.569 -15.429 12.287 1.00 0.00 C ATOM 1521 OG1 THR A 100 -19.909 -15.897 12.100 1.00 0.00 O ATOM 1522 CG2 THR A 100 -18.542 -13.910 12.212 1.00 0.00 C ATOM 0 H THR A 100 -16.193 -14.738 11.984 1.00 0.00 H new ATOM 0 HA THR A 100 -17.526 -17.111 11.427 1.00 0.00 H new ATOM 0 HB THR A 100 -18.212 -15.735 13.270 1.00 0.00 H new ATOM 0 HG1 THR A 100 -19.961 -16.418 11.271 1.00 0.00 H new ATOM 0 HG21 THR A 100 -19.204 -13.496 12.973 1.00 0.00 H new ATOM 0 HG22 THR A 100 -17.526 -13.555 12.384 1.00 0.00 H new ATOM 0 HG23 THR A 100 -18.877 -13.588 11.226 1.00 0.00 H new ATOM 1530 N TYR A 101 -17.654 -15.019 9.027 1.00 0.00 N ATOM 1531 CA TYR A 101 -18.156 -14.753 7.684 1.00 0.00 C ATOM 1532 C TYR A 101 -17.477 -15.656 6.659 1.00 0.00 C ATOM 1533 O TYR A 101 -18.124 -16.183 5.753 1.00 0.00 O ATOM 1534 CB TYR A 101 -17.932 -13.286 7.315 1.00 0.00 C ATOM 1535 CG TYR A 101 -18.379 -12.939 5.912 1.00 0.00 C ATOM 1536 CD1 TYR A 101 -19.644 -13.289 5.459 1.00 0.00 C ATOM 1537 CD2 TYR A 101 -17.535 -12.260 5.042 1.00 0.00 C ATOM 1538 CE1 TYR A 101 -20.056 -12.975 4.178 1.00 0.00 C ATOM 1539 CE2 TYR A 101 -17.939 -11.941 3.760 1.00 0.00 C ATOM 1540 CZ TYR A 101 -19.200 -12.301 3.332 1.00 0.00 C ATOM 1541 OH TYR A 101 -19.607 -11.985 2.056 1.00 0.00 O ATOM 0 H TYR A 101 -16.804 -14.509 9.269 1.00 0.00 H new ATOM 0 HA TYR A 101 -19.225 -14.964 7.675 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -18.468 -12.656 8.024 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -16.872 -13.052 7.418 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -20.317 -13.816 6.119 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -16.547 -11.977 5.373 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -21.043 -13.256 3.841 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -17.271 -11.412 3.096 1.00 0.00 H new ATOM 0 HH TYR A 101 -18.887 -11.510 1.591 1.00 0.00 H new ATOM 1551 N PHE A 102 -16.169 -15.832 6.810 1.00 0.00 N ATOM 1552 CA PHE A 102 -15.400 -16.671 5.899 1.00 0.00 C ATOM 1553 C PHE A 102 -15.561 -18.147 6.251 1.00 0.00 C ATOM 1554 O PHE A 102 -15.286 -19.026 5.434 1.00 0.00 O ATOM 1555 CB PHE A 102 -13.920 -16.284 5.941 1.00 0.00 C ATOM 1556 CG PHE A 102 -13.580 -15.117 5.059 1.00 0.00 C ATOM 1557 CD1 PHE A 102 -14.206 -13.894 5.235 1.00 0.00 C ATOM 1558 CD2 PHE A 102 -12.635 -15.243 4.054 1.00 0.00 C ATOM 1559 CE1 PHE A 102 -13.896 -12.817 4.425 1.00 0.00 C ATOM 1560 CE2 PHE A 102 -12.320 -14.170 3.241 1.00 0.00 C ATOM 1561 CZ PHE A 102 -12.952 -12.956 3.427 1.00 0.00 C ATOM 0 H PHE A 102 -15.619 -15.405 7.555 1.00 0.00 H new ATOM 0 HA PHE A 102 -15.782 -16.512 4.890 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -13.644 -16.045 6.968 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -13.320 -17.143 5.641 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -14.945 -13.780 6.014 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -12.139 -16.190 3.904 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -14.391 -11.869 4.573 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -11.581 -14.281 2.462 1.00 0.00 H new ATOM 0 HZ PHE A 102 -12.708 -12.117 2.793 1.00 0.00 H new