USER MOD reduce.3.24.130724 H: found=0, std=0, add=392, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 396 hydrogens (21 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 NoAdj-H: A 392 HIS HE2 : A 392 HIS NE2 : A1001 ZNZN :(H bumps) USER MOD NoAdj-H: A 398 HIS HE2 : A 398 HIS NE2 : A1001 ZNZN :(H bumps) USER MOD Set 1.1: A 380 MET CE :methyl -125:sc= -0.444 (180deg=-1.07) USER MOD Set 1.2: A1003 RIB O2' : rot 142:sc= 0.426 USER MOD Set 2.1: A 378 SER OG : rot -130:sc= -0.252 USER MOD Set 2.2: A 408 GLN : amide:sc= -2.48! C(o=-2.7!,f=-1.7!) USER MOD Single : A 367 SER OG : rot 180:sc= 0 USER MOD Single : A 369 SER OG : rot 180:sc= 0 USER MOD Single : A 372 ASN : amide:sc= -1.39 K(o=-1.4,f=-0.6) USER MOD Single : A 373 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 375 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 377 THR OG1 : rot 180:sc= 0 USER MOD Single : A 381 TYR OH : rot 114:sc= 0.962 USER MOD Single : A 384 ASN : amide:sc= -1.98 K(o=-2,f=-0.49) USER MOD Single : A 386 TYR OH : rot 115:sc= -1.14 USER MOD Single : A 388 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 389 ASN : amide:sc= 0 X(o=0,f=-0.069) USER MOD Single : A 394 GLN : amide:sc= -0.488 K(o=-0.49,f=-2.8!) USER MOD Single : A 395 HIS : no HD1:sc= -0.188 X(o=-0.19,f=-0.0028) USER MOD Single : A 397 SER OG : rot 170:sc= -1.18 USER MOD Single : A 402 SER OG : rot 180:sc= 0 USER MOD Single : A 404 TYR OH : rot 180:sc= 0 USER MOD Single : A 412 GLN : amide:sc= -6.11! C(o=-6.1!,f=-6.1!) USER MOD Single : A 415 THR OG1 : rot 180:sc= 0.00727 USER MOD Single : A1002 ADN O3' : rot 92:sc= 0.14 USER MOD Single : A1002 ADN O5' : rot 180:sc= 0 USER MOD Single : A1003 RIB O3' : rot 90:sc= 0.136 USER MOD Single : A1003 RIB O5' : rot -28:sc= 0.201 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 363 21.219 8.458 15.749 1.00 0.00 N ATOM 2 CA GLY A 363 20.558 7.324 15.042 1.00 0.00 C ATOM 3 C GLY A 363 19.845 7.847 13.787 1.00 0.00 C ATOM 4 O GLY A 363 18.645 8.041 13.803 1.00 0.00 O ATOM 0 HA2 GLY A 363 21.298 6.573 14.766 1.00 0.00 H new ATOM 0 HA3 GLY A 363 19.842 6.837 15.704 1.00 0.00 H new ATOM 10 N PRO A 364 20.600 8.064 12.730 1.00 0.00 N ATOM 11 CA PRO A 364 20.000 8.570 11.471 1.00 0.00 C ATOM 12 C PRO A 364 19.184 7.463 10.783 1.00 0.00 C ATOM 13 O PRO A 364 19.509 6.295 10.890 1.00 0.00 O ATOM 14 CB PRO A 364 21.209 8.959 10.624 1.00 0.00 C ATOM 15 CG PRO A 364 22.333 8.123 11.144 1.00 0.00 C ATOM 16 CD PRO A 364 22.055 7.865 12.602 1.00 0.00 C ATOM 0 HA PRO A 364 19.313 9.402 11.629 1.00 0.00 H new ATOM 0 HB2 PRO A 364 21.029 8.764 9.567 1.00 0.00 H new ATOM 0 HB3 PRO A 364 21.431 10.022 10.719 1.00 0.00 H new ATOM 0 HG2 PRO A 364 22.402 7.185 10.593 1.00 0.00 H new ATOM 0 HG3 PRO A 364 23.286 8.637 11.019 1.00 0.00 H new ATOM 0 HD2 PRO A 364 22.346 6.855 12.891 1.00 0.00 H new ATOM 0 HD3 PRO A 364 22.609 8.552 13.241 1.00 0.00 H new ATOM 24 N LEU A 365 18.128 7.816 10.078 1.00 0.00 N ATOM 25 CA LEU A 365 17.304 6.775 9.391 1.00 0.00 C ATOM 26 C LEU A 365 16.811 7.301 8.033 1.00 0.00 C ATOM 27 O LEU A 365 17.206 8.368 7.600 1.00 0.00 O ATOM 28 CB LEU A 365 16.122 6.518 10.333 1.00 0.00 C ATOM 29 CG LEU A 365 15.894 5.012 10.478 1.00 0.00 C ATOM 30 CD1 LEU A 365 16.936 4.427 11.433 1.00 0.00 C ATOM 31 CD2 LEU A 365 14.493 4.761 11.039 1.00 0.00 C ATOM 0 H LEU A 365 17.807 8.776 9.952 1.00 0.00 H new ATOM 0 HA LEU A 365 17.869 5.864 9.192 1.00 0.00 H new ATOM 0 HB2 LEU A 365 16.320 6.961 11.309 1.00 0.00 H new ATOM 0 HB3 LEU A 365 15.223 6.995 9.943 1.00 0.00 H new ATOM 0 HG LEU A 365 15.987 4.535 9.502 1.00 0.00 H new ATOM 0 HD11 LEU A 365 16.773 3.354 11.536 1.00 0.00 H new ATOM 0 HD12 LEU A 365 17.935 4.606 11.035 1.00 0.00 H new ATOM 0 HD13 LEU A 365 16.843 4.903 12.409 1.00 0.00 H new ATOM 0 HD21 LEU A 365 14.329 3.688 11.143 1.00 0.00 H new ATOM 0 HD22 LEU A 365 14.401 5.238 12.015 1.00 0.00 H new ATOM 0 HD23 LEU A 365 13.749 5.177 10.360 1.00 0.00 H new ATOM 43 N GLY A 366 15.952 6.566 7.355 1.00 0.00 N ATOM 44 CA GLY A 366 15.445 7.036 6.031 1.00 0.00 C ATOM 45 C GLY A 366 15.985 6.123 4.921 1.00 0.00 C ATOM 46 O GLY A 366 16.625 6.585 3.995 1.00 0.00 O ATOM 0 H GLY A 366 15.585 5.666 7.665 1.00 0.00 H new ATOM 0 HA2 GLY A 366 14.355 7.029 6.024 1.00 0.00 H new ATOM 0 HA3 GLY A 366 15.758 8.065 5.854 1.00 0.00 H new ATOM 50 N SER A 367 15.736 4.831 5.002 1.00 0.00 N ATOM 51 CA SER A 367 16.241 3.903 3.946 1.00 0.00 C ATOM 52 C SER A 367 15.207 2.798 3.671 1.00 0.00 C ATOM 53 O SER A 367 15.504 1.623 3.791 1.00 0.00 O ATOM 54 CB SER A 367 17.526 3.310 4.524 1.00 0.00 C ATOM 55 OG SER A 367 17.251 2.751 5.801 1.00 0.00 O ATOM 0 H SER A 367 15.207 4.387 5.752 1.00 0.00 H new ATOM 0 HA SER A 367 16.419 4.411 2.998 1.00 0.00 H new ATOM 0 HB2 SER A 367 17.920 2.544 3.856 1.00 0.00 H new ATOM 0 HB3 SER A 367 18.291 4.082 4.609 1.00 0.00 H new ATOM 0 HG SER A 367 18.072 2.368 6.174 1.00 0.00 H new ATOM 61 N GLY A 368 13.994 3.161 3.303 1.00 0.00 N ATOM 62 CA GLY A 368 12.955 2.125 3.025 1.00 0.00 C ATOM 63 C GLY A 368 12.511 2.223 1.559 1.00 0.00 C ATOM 64 O GLY A 368 11.770 3.116 1.194 1.00 0.00 O ATOM 0 H GLY A 368 13.686 4.126 3.186 1.00 0.00 H new ATOM 0 HA2 GLY A 368 13.354 1.131 3.229 1.00 0.00 H new ATOM 0 HA3 GLY A 368 12.099 2.267 3.685 1.00 0.00 H new ATOM 68 N SER A 369 12.954 1.314 0.713 1.00 0.00 N ATOM 69 CA SER A 369 12.548 1.368 -0.724 1.00 0.00 C ATOM 70 C SER A 369 12.345 -0.052 -1.274 1.00 0.00 C ATOM 71 O SER A 369 13.297 -0.784 -1.470 1.00 0.00 O ATOM 72 CB SER A 369 13.709 2.058 -1.438 1.00 0.00 C ATOM 73 OG SER A 369 13.217 2.737 -2.586 1.00 0.00 O ATOM 0 H SER A 369 13.575 0.544 0.960 1.00 0.00 H new ATOM 0 HA SER A 369 11.607 1.900 -0.867 1.00 0.00 H new ATOM 0 HB2 SER A 369 14.197 2.763 -0.765 1.00 0.00 H new ATOM 0 HB3 SER A 369 14.460 1.324 -1.730 1.00 0.00 H new ATOM 0 HG SER A 369 13.959 3.182 -3.046 1.00 0.00 H new ATOM 79 N GLU A 370 11.114 -0.450 -1.528 1.00 0.00 N ATOM 80 CA GLU A 370 10.867 -1.822 -2.067 1.00 0.00 C ATOM 81 C GLU A 370 10.286 -1.734 -3.487 1.00 0.00 C ATOM 82 O GLU A 370 9.161 -1.309 -3.673 1.00 0.00 O ATOM 83 CB GLU A 370 9.853 -2.452 -1.110 1.00 0.00 C ATOM 84 CG GLU A 370 10.542 -2.796 0.212 1.00 0.00 C ATOM 85 CD GLU A 370 10.376 -1.634 1.194 1.00 0.00 C ATOM 86 OE1 GLU A 370 11.158 -0.701 1.115 1.00 0.00 O ATOM 87 OE2 GLU A 370 9.468 -1.697 2.007 1.00 0.00 O ATOM 0 H GLU A 370 10.278 0.117 -1.384 1.00 0.00 H new ATOM 0 HA GLU A 370 11.782 -2.411 -2.132 1.00 0.00 H new ATOM 0 HB2 GLU A 370 9.027 -1.763 -0.933 1.00 0.00 H new ATOM 0 HB3 GLU A 370 9.427 -3.351 -1.555 1.00 0.00 H new ATOM 0 HG2 GLU A 370 10.112 -3.705 0.632 1.00 0.00 H new ATOM 0 HG3 GLU A 370 11.600 -2.993 0.042 1.00 0.00 H new ATOM 94 N GLY A 371 11.041 -2.129 -4.493 1.00 0.00 N ATOM 95 CA GLY A 371 10.522 -2.061 -5.891 1.00 0.00 C ATOM 96 C GLY A 371 9.404 -3.098 -6.075 1.00 0.00 C ATOM 97 O GLY A 371 8.235 -2.761 -6.052 1.00 0.00 O ATOM 0 H GLY A 371 11.989 -2.493 -4.400 1.00 0.00 H new ATOM 0 HA2 GLY A 371 10.143 -1.061 -6.101 1.00 0.00 H new ATOM 0 HA3 GLY A 371 11.329 -2.251 -6.599 1.00 0.00 H new ATOM 101 N ASN A 372 9.748 -4.357 -6.257 1.00 0.00 N ATOM 102 CA ASN A 372 8.692 -5.402 -6.440 1.00 0.00 C ATOM 103 C ASN A 372 9.208 -6.781 -5.991 1.00 0.00 C ATOM 104 O ASN A 372 8.892 -7.788 -6.597 1.00 0.00 O ATOM 105 CB ASN A 372 8.396 -5.404 -7.940 1.00 0.00 C ATOM 106 CG ASN A 372 7.237 -4.443 -8.236 1.00 0.00 C ATOM 107 OD1 ASN A 372 6.088 -4.837 -8.200 1.00 0.00 O ATOM 108 ND2 ASN A 372 7.484 -3.190 -8.530 1.00 0.00 N ATOM 0 H ASN A 372 10.708 -4.700 -6.286 1.00 0.00 H new ATOM 0 HA ASN A 372 7.803 -5.193 -5.845 1.00 0.00 H new ATOM 0 HB2 ASN A 372 9.283 -5.102 -8.497 1.00 0.00 H new ATOM 0 HB3 ASN A 372 8.140 -6.411 -8.269 1.00 0.00 H new ATOM 0 HD21 ASN A 372 6.714 -2.551 -8.727 1.00 0.00 H new ATOM 0 HD22 ASN A 372 8.446 -2.854 -8.562 1.00 0.00 H new ATOM 115 N LYS A 373 9.998 -6.839 -4.936 1.00 0.00 N ATOM 116 CA LYS A 373 10.521 -8.161 -4.466 1.00 0.00 C ATOM 117 C LYS A 373 10.941 -8.089 -2.990 1.00 0.00 C ATOM 118 O LYS A 373 11.948 -8.647 -2.597 1.00 0.00 O ATOM 119 CB LYS A 373 11.727 -8.448 -5.357 1.00 0.00 C ATOM 120 CG LYS A 373 11.782 -9.941 -5.678 1.00 0.00 C ATOM 121 CD LYS A 373 12.933 -10.212 -6.649 1.00 0.00 C ATOM 122 CE LYS A 373 14.182 -10.614 -5.861 1.00 0.00 C ATOM 123 NZ LYS A 373 15.326 -10.147 -6.692 1.00 0.00 N ATOM 0 H LYS A 373 10.298 -6.033 -4.388 1.00 0.00 H new ATOM 0 HA LYS A 373 9.766 -8.945 -4.533 1.00 0.00 H new ATOM 0 HB2 LYS A 373 11.657 -7.870 -6.278 1.00 0.00 H new ATOM 0 HB3 LYS A 373 12.644 -8.139 -4.856 1.00 0.00 H new ATOM 0 HG2 LYS A 373 11.922 -10.516 -4.762 1.00 0.00 H new ATOM 0 HG3 LYS A 373 10.838 -10.265 -6.117 1.00 0.00 H new ATOM 0 HD2 LYS A 373 12.657 -11.005 -7.344 1.00 0.00 H new ATOM 0 HD3 LYS A 373 13.137 -9.323 -7.245 1.00 0.00 H new ATOM 0 HE2 LYS A 373 14.194 -10.149 -4.875 1.00 0.00 H new ATOM 0 HE3 LYS A 373 14.221 -11.692 -5.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 373 16.220 -10.386 -6.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 373 15.292 -10.612 -7.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 373 15.266 -9.116 -6.818 1.00 0.00 H new ATOM 137 N VAL A 374 10.170 -7.410 -2.171 1.00 0.00 N ATOM 138 CA VAL A 374 10.515 -7.304 -0.722 1.00 0.00 C ATOM 139 C VAL A 374 9.224 -7.192 0.110 1.00 0.00 C ATOM 140 O VAL A 374 8.178 -6.855 -0.415 1.00 0.00 O ATOM 141 CB VAL A 374 11.362 -6.029 -0.605 1.00 0.00 C ATOM 142 CG1 VAL A 374 11.746 -5.792 0.858 1.00 0.00 C ATOM 143 CG2 VAL A 374 12.638 -6.183 -1.439 1.00 0.00 C ATOM 0 H VAL A 374 9.316 -6.925 -2.448 1.00 0.00 H new ATOM 0 HA VAL A 374 11.056 -8.175 -0.352 1.00 0.00 H new ATOM 0 HB VAL A 374 10.782 -5.182 -0.971 1.00 0.00 H new ATOM 0 HG11 VAL A 374 12.347 -4.886 0.934 1.00 0.00 H new ATOM 0 HG12 VAL A 374 10.843 -5.680 1.458 1.00 0.00 H new ATOM 0 HG13 VAL A 374 12.322 -6.641 1.225 1.00 0.00 H new ATOM 0 HG21 VAL A 374 13.239 -5.277 -1.355 1.00 0.00 H new ATOM 0 HG22 VAL A 374 13.212 -7.034 -1.072 1.00 0.00 H new ATOM 0 HG23 VAL A 374 12.372 -6.347 -2.483 1.00 0.00 H new ATOM 153 N LYS A 375 9.283 -7.467 1.395 1.00 0.00 N ATOM 154 CA LYS A 375 8.036 -7.363 2.232 1.00 0.00 C ATOM 155 C LYS A 375 7.764 -5.885 2.564 1.00 0.00 C ATOM 156 O LYS A 375 8.241 -5.359 3.552 1.00 0.00 O ATOM 157 CB LYS A 375 8.283 -8.191 3.500 1.00 0.00 C ATOM 158 CG LYS A 375 8.294 -9.675 3.123 1.00 0.00 C ATOM 159 CD LYS A 375 7.898 -10.522 4.333 1.00 0.00 C ATOM 160 CE LYS A 375 7.306 -11.851 3.851 1.00 0.00 C ATOM 161 NZ LYS A 375 5.833 -11.630 3.835 1.00 0.00 N ATOM 0 H LYS A 375 10.124 -7.754 1.895 1.00 0.00 H new ATOM 0 HA LYS A 375 7.159 -7.742 1.707 1.00 0.00 H new ATOM 0 HB2 LYS A 375 9.232 -7.910 3.956 1.00 0.00 H new ATOM 0 HB3 LYS A 375 7.505 -7.994 4.237 1.00 0.00 H new ATOM 0 HG2 LYS A 375 7.603 -9.855 2.300 1.00 0.00 H new ATOM 0 HG3 LYS A 375 9.286 -9.963 2.775 1.00 0.00 H new ATOM 0 HD2 LYS A 375 8.768 -10.706 4.963 1.00 0.00 H new ATOM 0 HD3 LYS A 375 7.170 -9.987 4.943 1.00 0.00 H new ATOM 0 HE2 LYS A 375 7.677 -12.113 2.860 1.00 0.00 H new ATOM 0 HE3 LYS A 375 7.576 -12.669 4.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 375 5.355 -12.497 3.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 375 5.508 -11.389 4.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 375 5.606 -10.850 3.186 1.00 0.00 H new ATOM 175 N ARG A 376 6.998 -5.219 1.724 1.00 0.00 N ATOM 176 CA ARG A 376 6.690 -3.772 1.969 1.00 0.00 C ATOM 177 C ARG A 376 5.941 -3.603 3.293 1.00 0.00 C ATOM 178 O ARG A 376 5.268 -4.507 3.750 1.00 0.00 O ATOM 179 CB ARG A 376 5.817 -3.286 0.803 1.00 0.00 C ATOM 180 CG ARG A 376 6.714 -2.679 -0.278 1.00 0.00 C ATOM 181 CD ARG A 376 5.856 -2.037 -1.375 1.00 0.00 C ATOM 182 NE ARG A 376 4.985 -3.142 -1.891 1.00 0.00 N ATOM 183 CZ ARG A 376 5.489 -4.143 -2.598 1.00 0.00 C ATOM 184 NH1 ARG A 376 6.757 -4.175 -2.938 1.00 0.00 N ATOM 185 NH2 ARG A 376 4.706 -5.116 -2.988 1.00 0.00 N ATOM 0 H ARG A 376 6.576 -5.615 0.884 1.00 0.00 H new ATOM 0 HA ARG A 376 7.610 -3.191 2.031 1.00 0.00 H new ATOM 0 HB2 ARG A 376 5.243 -4.116 0.392 1.00 0.00 H new ATOM 0 HB3 ARG A 376 5.099 -2.545 1.155 1.00 0.00 H new ATOM 0 HG2 ARG A 376 7.373 -1.931 0.163 1.00 0.00 H new ATOM 0 HG3 ARG A 376 7.351 -3.451 -0.709 1.00 0.00 H new ATOM 0 HD2 ARG A 376 5.258 -1.217 -0.977 1.00 0.00 H new ATOM 0 HD3 ARG A 376 6.477 -1.622 -2.169 1.00 0.00 H new ATOM 0 HE ARG A 376 3.984 -3.123 -1.694 1.00 0.00 H new ATOM 0 HH11 ARG A 376 7.380 -3.417 -2.657 1.00 0.00 H new ATOM 0 HH12 ARG A 376 7.119 -4.958 -3.483 1.00 0.00 H new ATOM 0 HH21 ARG A 376 3.715 -5.101 -2.748 1.00 0.00 H new ATOM 0 HH22 ARG A 376 5.087 -5.890 -3.533 1.00 0.00 H new ATOM 199 N THR A 377 6.043 -2.445 3.906 1.00 0.00 N ATOM 200 CA THR A 377 5.317 -2.221 5.196 1.00 0.00 C ATOM 201 C THR A 377 3.851 -1.919 4.877 1.00 0.00 C ATOM 202 O THR A 377 3.582 -1.182 3.951 1.00 0.00 O ATOM 203 CB THR A 377 6.022 -1.018 5.875 1.00 0.00 C ATOM 204 OG1 THR A 377 5.697 -1.000 7.258 1.00 0.00 O ATOM 205 CG2 THR A 377 5.595 0.316 5.236 1.00 0.00 C ATOM 0 H THR A 377 6.592 -1.653 3.571 1.00 0.00 H new ATOM 0 HA THR A 377 5.336 -3.085 5.860 1.00 0.00 H new ATOM 0 HB THR A 377 7.097 -1.134 5.740 1.00 0.00 H new ATOM 0 HG1 THR A 377 6.143 -0.241 7.689 1.00 0.00 H new ATOM 0 HG21 THR A 377 6.107 1.139 5.735 1.00 0.00 H new ATOM 0 HG22 THR A 377 5.858 0.313 4.178 1.00 0.00 H new ATOM 0 HG23 THR A 377 4.517 0.442 5.342 1.00 0.00 H new ATOM 213 N SER A 378 2.898 -2.452 5.617 1.00 0.00 N ATOM 214 CA SER A 378 1.452 -2.136 5.294 1.00 0.00 C ATOM 215 C SER A 378 1.285 -0.611 5.247 1.00 0.00 C ATOM 216 O SER A 378 2.021 0.103 5.905 1.00 0.00 O ATOM 217 CB SER A 378 0.591 -2.741 6.412 1.00 0.00 C ATOM 218 OG SER A 378 0.550 -1.842 7.511 1.00 0.00 O ATOM 0 H SER A 378 3.047 -3.076 6.410 1.00 0.00 H new ATOM 0 HA SER A 378 1.151 -2.549 4.331 1.00 0.00 H new ATOM 0 HB2 SER A 378 -0.418 -2.933 6.046 1.00 0.00 H new ATOM 0 HB3 SER A 378 1.004 -3.700 6.727 1.00 0.00 H new ATOM 0 HG SER A 378 0.766 -2.324 8.336 1.00 0.00 H new ATOM 224 N CYS A 379 0.363 -0.095 4.474 1.00 0.00 N ATOM 225 CA CYS A 379 0.216 1.406 4.405 1.00 0.00 C ATOM 226 C CYS A 379 -0.568 1.956 5.613 1.00 0.00 C ATOM 227 O CYS A 379 -1.351 1.256 6.221 1.00 0.00 O ATOM 228 CB CYS A 379 -0.560 1.679 3.108 1.00 0.00 C ATOM 229 SG CYS A 379 -0.541 3.441 2.721 1.00 0.00 S ATOM 0 H CYS A 379 -0.286 -0.628 3.896 1.00 0.00 H new ATOM 0 HA CYS A 379 1.190 1.895 4.421 1.00 0.00 H new ATOM 0 HB2 CYS A 379 -0.117 1.115 2.287 1.00 0.00 H new ATOM 0 HB3 CYS A 379 -1.589 1.335 3.213 1.00 0.00 H new ATOM 234 N MET A 380 -0.371 3.224 5.951 1.00 0.00 N ATOM 235 CA MET A 380 -1.125 3.841 7.116 1.00 0.00 C ATOM 236 C MET A 380 -2.633 3.534 7.025 1.00 0.00 C ATOM 237 O MET A 380 -3.300 3.394 8.033 1.00 0.00 O ATOM 238 CB MET A 380 -0.918 5.358 7.017 1.00 0.00 C ATOM 239 CG MET A 380 0.546 5.685 7.278 1.00 0.00 C ATOM 240 SD MET A 380 0.702 7.431 7.731 1.00 0.00 S ATOM 241 CE MET A 380 0.249 8.135 6.125 1.00 0.00 C ATOM 0 H MET A 380 0.274 3.855 5.475 1.00 0.00 H new ATOM 0 HA MET A 380 -0.758 3.435 8.059 1.00 0.00 H new ATOM 0 HB2 MET A 380 -1.211 5.713 6.029 1.00 0.00 H new ATOM 0 HB3 MET A 380 -1.552 5.871 7.741 1.00 0.00 H new ATOM 0 HG2 MET A 380 0.934 5.054 8.078 1.00 0.00 H new ATOM 0 HG3 MET A 380 1.141 5.474 6.389 1.00 0.00 H new ATOM 0 HE1 MET A 380 1.037 8.808 5.787 1.00 0.00 H new ATOM 0 HE2 MET A 380 0.121 7.332 5.399 1.00 0.00 H new ATOM 0 HE3 MET A 380 -0.684 8.690 6.221 1.00 0.00 H new ATOM 251 N TYR A 381 -3.169 3.399 5.826 1.00 0.00 N ATOM 252 CA TYR A 381 -4.612 3.066 5.690 1.00 0.00 C ATOM 253 C TYR A 381 -4.790 2.071 4.539 1.00 0.00 C ATOM 254 O TYR A 381 -5.735 2.175 3.790 1.00 0.00 O ATOM 255 CB TYR A 381 -5.346 4.366 5.345 1.00 0.00 C ATOM 256 CG TYR A 381 -4.925 5.526 6.224 1.00 0.00 C ATOM 257 CD1 TYR A 381 -3.766 6.276 5.896 1.00 0.00 C ATOM 258 CD2 TYR A 381 -5.728 5.907 7.337 1.00 0.00 C ATOM 259 CE1 TYR A 381 -3.406 7.402 6.677 1.00 0.00 C ATOM 260 CE2 TYR A 381 -5.360 7.034 8.123 1.00 0.00 C ATOM 261 CZ TYR A 381 -4.201 7.780 7.792 1.00 0.00 C ATOM 262 OH TYR A 381 -3.844 8.875 8.552 1.00 0.00 O ATOM 0 H TYR A 381 -2.663 3.507 4.947 1.00 0.00 H new ATOM 0 HA TYR A 381 -5.001 2.627 6.609 1.00 0.00 H new ATOM 0 HB2 TYR A 381 -5.158 4.619 4.302 1.00 0.00 H new ATOM 0 HB3 TYR A 381 -6.420 4.210 5.446 1.00 0.00 H new ATOM 0 HD1 TYR A 381 -3.158 5.988 5.051 1.00 0.00 H new ATOM 0 HD2 TYR A 381 -6.614 5.341 7.584 1.00 0.00 H new ATOM 0 HE1 TYR A 381 -2.526 7.974 6.424 1.00 0.00 H new ATOM 0 HE2 TYR A 381 -5.963 7.321 8.972 1.00 0.00 H new ATOM 0 HH TYR A 381 -4.522 9.576 8.455 1.00 0.00 H new ATOM 272 N GLY A 382 -3.872 1.132 4.360 1.00 0.00 N ATOM 273 CA GLY A 382 -3.967 0.149 3.223 1.00 0.00 C ATOM 274 C GLY A 382 -5.409 -0.314 2.943 1.00 0.00 C ATOM 275 O GLY A 382 -5.832 -0.341 1.802 1.00 0.00 O ATOM 0 H GLY A 382 -3.057 1.008 4.960 1.00 0.00 H new ATOM 0 HA2 GLY A 382 -3.557 0.604 2.322 1.00 0.00 H new ATOM 0 HA3 GLY A 382 -3.350 -0.721 3.450 1.00 0.00 H new ATOM 279 N ALA A 383 -6.169 -0.667 3.956 1.00 0.00 N ATOM 280 CA ALA A 383 -7.586 -1.115 3.691 1.00 0.00 C ATOM 281 C ALA A 383 -8.383 -0.006 2.971 1.00 0.00 C ATOM 282 O ALA A 383 -9.298 -0.295 2.224 1.00 0.00 O ATOM 283 CB ALA A 383 -8.221 -1.417 5.056 1.00 0.00 C ATOM 0 H ALA A 383 -5.883 -0.667 4.935 1.00 0.00 H new ATOM 0 HA ALA A 383 -7.596 -1.995 3.048 1.00 0.00 H new ATOM 0 HB1 ALA A 383 -9.250 -1.746 4.914 1.00 0.00 H new ATOM 0 HB2 ALA A 383 -7.655 -2.203 5.555 1.00 0.00 H new ATOM 0 HB3 ALA A 383 -8.209 -0.516 5.670 1.00 0.00 H new ATOM 289 N ASN A 384 -8.046 1.254 3.179 1.00 0.00 N ATOM 290 CA ASN A 384 -8.798 2.355 2.495 1.00 0.00 C ATOM 291 C ASN A 384 -7.831 3.407 1.916 1.00 0.00 C ATOM 292 O ASN A 384 -8.183 4.564 1.828 1.00 0.00 O ATOM 293 CB ASN A 384 -9.667 3.003 3.585 1.00 0.00 C ATOM 294 CG ASN A 384 -10.458 1.932 4.355 1.00 0.00 C ATOM 295 OD1 ASN A 384 -11.628 1.728 4.099 1.00 0.00 O ATOM 296 ND2 ASN A 384 -9.864 1.232 5.294 1.00 0.00 N ATOM 0 H ASN A 384 -7.288 1.560 3.789 1.00 0.00 H new ATOM 0 HA ASN A 384 -9.390 1.967 1.666 1.00 0.00 H new ATOM 0 HB2 ASN A 384 -9.036 3.563 4.275 1.00 0.00 H new ATOM 0 HB3 ASN A 384 -10.356 3.716 3.132 1.00 0.00 H new ATOM 0 HD21 ASN A 384 -10.385 0.520 5.806 1.00 0.00 H new ATOM 0 HD22 ASN A 384 -8.882 1.401 5.512 1.00 0.00 H new ATOM 303 N CYS A 385 -6.615 3.031 1.544 1.00 0.00 N ATOM 304 CA CYS A 385 -5.639 4.050 0.992 1.00 0.00 C ATOM 305 C CYS A 385 -6.268 4.841 -0.177 1.00 0.00 C ATOM 306 O CYS A 385 -6.161 4.442 -1.321 1.00 0.00 O ATOM 307 CB CYS A 385 -4.423 3.255 0.484 1.00 0.00 C ATOM 308 SG CYS A 385 -3.059 4.391 0.126 1.00 0.00 S ATOM 0 H CYS A 385 -6.260 2.076 1.598 1.00 0.00 H new ATOM 0 HA CYS A 385 -5.361 4.771 1.761 1.00 0.00 H new ATOM 0 HB2 CYS A 385 -4.115 2.525 1.233 1.00 0.00 H new ATOM 0 HB3 CYS A 385 -4.690 2.697 -0.414 1.00 0.00 H new ATOM 313 N TYR A 386 -6.946 5.939 0.099 1.00 0.00 N ATOM 314 CA TYR A 386 -7.597 6.724 -1.011 1.00 0.00 C ATOM 315 C TYR A 386 -6.545 7.271 -1.996 1.00 0.00 C ATOM 316 O TYR A 386 -6.794 7.344 -3.185 1.00 0.00 O ATOM 317 CB TYR A 386 -8.386 7.881 -0.338 1.00 0.00 C ATOM 318 CG TYR A 386 -7.446 8.969 0.158 1.00 0.00 C ATOM 319 CD1 TYR A 386 -6.975 9.954 -0.749 1.00 0.00 C ATOM 320 CD2 TYR A 386 -7.029 8.999 1.517 1.00 0.00 C ATOM 321 CE1 TYR A 386 -6.091 10.968 -0.302 1.00 0.00 C ATOM 322 CE2 TYR A 386 -6.137 10.017 1.972 1.00 0.00 C ATOM 323 CZ TYR A 386 -5.672 11.001 1.054 1.00 0.00 C ATOM 324 OH TYR A 386 -4.815 11.991 1.475 1.00 0.00 O ATOM 0 H TYR A 386 -7.076 6.322 1.035 1.00 0.00 H new ATOM 0 HA TYR A 386 -8.263 6.088 -1.594 1.00 0.00 H new ATOM 0 HB2 TYR A 386 -9.094 8.305 -1.050 1.00 0.00 H new ATOM 0 HB3 TYR A 386 -8.968 7.491 0.497 1.00 0.00 H new ATOM 0 HD1 TYR A 386 -7.291 9.931 -1.782 1.00 0.00 H new ATOM 0 HD2 TYR A 386 -7.388 8.250 2.207 1.00 0.00 H new ATOM 0 HE1 TYR A 386 -5.736 11.717 -0.994 1.00 0.00 H new ATOM 0 HE2 TYR A 386 -5.818 10.040 3.004 1.00 0.00 H new ATOM 0 HH TYR A 386 -5.272 12.564 2.126 1.00 0.00 H new ATOM 334 N ARG A 387 -5.381 7.667 -1.517 1.00 0.00 N ATOM 335 CA ARG A 387 -4.348 8.220 -2.461 1.00 0.00 C ATOM 336 C ARG A 387 -3.681 7.085 -3.256 1.00 0.00 C ATOM 337 O ARG A 387 -3.778 5.928 -2.892 1.00 0.00 O ATOM 338 CB ARG A 387 -3.315 8.990 -1.609 1.00 0.00 C ATOM 339 CG ARG A 387 -2.473 8.030 -0.754 1.00 0.00 C ATOM 340 CD ARG A 387 -1.513 8.833 0.131 1.00 0.00 C ATOM 341 NE ARG A 387 -0.461 9.351 -0.801 1.00 0.00 N ATOM 342 CZ ARG A 387 -0.560 10.540 -1.381 1.00 0.00 C ATOM 343 NH1 ARG A 387 -1.599 11.321 -1.191 1.00 0.00 N ATOM 344 NH2 ARG A 387 0.398 10.951 -2.172 1.00 0.00 N ATOM 0 H ARG A 387 -5.107 7.632 -0.535 1.00 0.00 H new ATOM 0 HA ARG A 387 -4.806 8.888 -3.190 1.00 0.00 H new ATOM 0 HB2 ARG A 387 -2.661 9.569 -2.261 1.00 0.00 H new ATOM 0 HB3 ARG A 387 -3.830 9.700 -0.962 1.00 0.00 H new ATOM 0 HG2 ARG A 387 -3.124 7.413 -0.135 1.00 0.00 H new ATOM 0 HG3 ARG A 387 -1.910 7.353 -1.397 1.00 0.00 H new ATOM 0 HD2 ARG A 387 -2.031 9.650 0.634 1.00 0.00 H new ATOM 0 HD3 ARG A 387 -1.076 8.206 0.908 1.00 0.00 H new ATOM 0 HE ARG A 387 0.356 8.772 -0.996 1.00 0.00 H new ATOM 0 HH11 ARG A 387 -2.360 11.019 -0.583 1.00 0.00 H new ATOM 0 HH12 ARG A 387 -1.645 12.230 -1.652 1.00 0.00 H new ATOM 0 HH21 ARG A 387 1.212 10.359 -2.338 1.00 0.00 H new ATOM 0 HH22 ARG A 387 0.331 11.864 -2.623 1.00 0.00 H new ATOM 358 N LYS A 388 -3.012 7.407 -4.345 1.00 0.00 N ATOM 359 CA LYS A 388 -2.353 6.337 -5.158 1.00 0.00 C ATOM 360 C LYS A 388 -1.269 6.931 -6.075 1.00 0.00 C ATOM 361 O LYS A 388 -1.569 7.657 -7.004 1.00 0.00 O ATOM 362 CB LYS A 388 -3.479 5.716 -5.993 1.00 0.00 C ATOM 363 CG LYS A 388 -4.148 6.789 -6.862 1.00 0.00 C ATOM 364 CD LYS A 388 -5.550 6.325 -7.255 1.00 0.00 C ATOM 365 CE LYS A 388 -5.447 5.319 -8.402 1.00 0.00 C ATOM 366 NZ LYS A 388 -6.841 5.159 -8.899 1.00 0.00 N ATOM 0 H LYS A 388 -2.897 8.356 -4.700 1.00 0.00 H new ATOM 0 HA LYS A 388 -1.855 5.601 -4.526 1.00 0.00 H new ATOM 0 HB2 LYS A 388 -3.078 4.924 -6.625 1.00 0.00 H new ATOM 0 HB3 LYS A 388 -4.218 5.257 -5.336 1.00 0.00 H new ATOM 0 HG2 LYS A 388 -4.205 7.731 -6.316 1.00 0.00 H new ATOM 0 HG3 LYS A 388 -3.551 6.973 -7.755 1.00 0.00 H new ATOM 0 HD2 LYS A 388 -6.048 5.868 -6.399 1.00 0.00 H new ATOM 0 HD3 LYS A 388 -6.156 7.179 -7.558 1.00 0.00 H new ATOM 0 HE2 LYS A 388 -4.787 5.684 -9.189 1.00 0.00 H new ATOM 0 HE3 LYS A 388 -5.039 4.369 -8.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 -6.853 4.482 -9.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 -7.445 4.804 -8.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 -7.201 6.078 -9.226 1.00 0.00 H new ATOM 380 N ASN A 389 -0.012 6.635 -5.822 1.00 0.00 N ATOM 381 CA ASN A 389 1.072 7.187 -6.683 1.00 0.00 C ATOM 382 C ASN A 389 1.841 6.035 -7.350 1.00 0.00 C ATOM 383 O ASN A 389 1.654 4.889 -6.993 1.00 0.00 O ATOM 384 CB ASN A 389 1.983 7.957 -5.724 1.00 0.00 C ATOM 385 CG ASN A 389 1.708 9.462 -5.840 1.00 0.00 C ATOM 386 OD1 ASN A 389 0.578 9.892 -5.715 1.00 0.00 O ATOM 387 ND2 ASN A 389 2.696 10.290 -6.076 1.00 0.00 N ATOM 0 H ASN A 389 0.303 6.037 -5.058 1.00 0.00 H new ATOM 0 HA ASN A 389 0.691 7.825 -7.480 1.00 0.00 H new ATOM 0 HB2 ASN A 389 1.812 7.625 -4.700 1.00 0.00 H new ATOM 0 HB3 ASN A 389 3.028 7.750 -5.956 1.00 0.00 H new ATOM 0 HD21 ASN A 389 2.515 11.291 -6.154 1.00 0.00 H new ATOM 0 HD22 ASN A 389 3.646 9.934 -6.182 1.00 0.00 H new ATOM 394 N PRO A 390 2.689 6.370 -8.297 1.00 0.00 N ATOM 395 CA PRO A 390 3.486 5.331 -8.996 1.00 0.00 C ATOM 396 C PRO A 390 4.621 4.812 -8.086 1.00 0.00 C ATOM 397 O PRO A 390 5.020 3.675 -8.189 1.00 0.00 O ATOM 398 CB PRO A 390 4.057 6.068 -10.206 1.00 0.00 C ATOM 399 CG PRO A 390 4.088 7.509 -9.810 1.00 0.00 C ATOM 400 CD PRO A 390 2.992 7.722 -8.797 1.00 0.00 C ATOM 0 HA PRO A 390 2.896 4.457 -9.273 1.00 0.00 H new ATOM 0 HB2 PRO A 390 5.055 5.706 -10.452 1.00 0.00 H new ATOM 0 HB3 PRO A 390 3.436 5.916 -11.089 1.00 0.00 H new ATOM 0 HG2 PRO A 390 5.058 7.770 -9.387 1.00 0.00 H new ATOM 0 HG3 PRO A 390 3.937 8.149 -10.679 1.00 0.00 H new ATOM 0 HD2 PRO A 390 3.318 8.380 -7.991 1.00 0.00 H new ATOM 0 HD3 PRO A 390 2.115 8.184 -9.251 1.00 0.00 H new ATOM 408 N VAL A 391 5.128 5.633 -7.186 1.00 0.00 N ATOM 409 CA VAL A 391 6.212 5.176 -6.253 1.00 0.00 C ATOM 410 C VAL A 391 5.651 4.818 -4.854 1.00 0.00 C ATOM 411 O VAL A 391 6.286 4.102 -4.103 1.00 0.00 O ATOM 412 CB VAL A 391 7.198 6.344 -6.152 1.00 0.00 C ATOM 413 CG1 VAL A 391 8.353 5.967 -5.215 1.00 0.00 C ATOM 414 CG2 VAL A 391 7.757 6.667 -7.540 1.00 0.00 C ATOM 0 H VAL A 391 4.835 6.602 -7.060 1.00 0.00 H new ATOM 0 HA VAL A 391 6.689 4.271 -6.629 1.00 0.00 H new ATOM 0 HB VAL A 391 6.679 7.217 -5.756 1.00 0.00 H new ATOM 0 HG11 VAL A 391 9.052 6.800 -5.146 1.00 0.00 H new ATOM 0 HG12 VAL A 391 7.959 5.741 -4.224 1.00 0.00 H new ATOM 0 HG13 VAL A 391 8.870 5.092 -5.608 1.00 0.00 H new ATOM 0 HG21 VAL A 391 8.458 7.498 -7.465 1.00 0.00 H new ATOM 0 HG22 VAL A 391 8.272 5.792 -7.937 1.00 0.00 H new ATOM 0 HG23 VAL A 391 6.939 6.941 -8.207 1.00 0.00 H new ATOM 424 N HIS A 392 4.488 5.323 -4.480 1.00 0.00 N ATOM 425 CA HIS A 392 3.927 5.016 -3.116 1.00 0.00 C ATOM 426 C HIS A 392 3.679 3.507 -2.976 1.00 0.00 C ATOM 427 O HIS A 392 3.924 2.939 -1.928 1.00 0.00 O ATOM 428 CB HIS A 392 2.613 5.824 -3.029 1.00 0.00 C ATOM 429 CG HIS A 392 1.811 5.436 -1.820 1.00 0.00 C ATOM 430 ND1 HIS A 392 1.883 6.135 -0.627 1.00 0.00 N ATOM 431 CD2 HIS A 392 0.895 4.440 -1.622 1.00 0.00 C ATOM 432 CE1 HIS A 392 1.025 5.556 0.230 1.00 0.00 C ATOM 433 NE2 HIS A 392 0.397 4.518 -0.328 1.00 0.00 N ATOM 0 H HIS A 392 3.908 5.931 -5.058 1.00 0.00 H new ATOM 0 HA HIS A 392 4.608 5.288 -2.309 1.00 0.00 H new ATOM 0 HB2 HIS A 392 2.841 6.889 -2.990 1.00 0.00 H new ATOM 0 HB3 HIS A 392 2.021 5.657 -3.929 1.00 0.00 H new ATOM 0 HD1 HIS A 392 2.478 6.941 -0.434 1.00 0.00 H new ATOM 0 HD2 HIS A 392 0.604 3.706 -2.359 1.00 0.00 H new ATOM 0 HE1 HIS A 392 0.863 5.889 1.245 1.00 0.00 H new ATOM 441 N PHE A 393 3.221 2.844 -4.020 1.00 0.00 N ATOM 442 CA PHE A 393 3.001 1.358 -3.909 1.00 0.00 C ATOM 443 C PHE A 393 4.329 0.672 -3.545 1.00 0.00 C ATOM 444 O PHE A 393 4.335 -0.339 -2.871 1.00 0.00 O ATOM 445 CB PHE A 393 2.510 0.862 -5.280 1.00 0.00 C ATOM 446 CG PHE A 393 1.030 1.133 -5.419 1.00 0.00 C ATOM 447 CD1 PHE A 393 0.098 0.432 -4.605 1.00 0.00 C ATOM 448 CD2 PHE A 393 0.569 2.086 -6.366 1.00 0.00 C ATOM 449 CE1 PHE A 393 -1.294 0.686 -4.739 1.00 0.00 C ATOM 450 CE2 PHE A 393 -0.823 2.339 -6.499 1.00 0.00 C ATOM 451 CZ PHE A 393 -1.754 1.640 -5.686 1.00 0.00 C ATOM 0 H PHE A 393 2.994 3.256 -4.925 1.00 0.00 H new ATOM 0 HA PHE A 393 2.268 1.126 -3.136 1.00 0.00 H new ATOM 0 HB2 PHE A 393 3.058 1.365 -6.077 1.00 0.00 H new ATOM 0 HB3 PHE A 393 2.705 -0.205 -5.383 1.00 0.00 H new ATOM 0 HD1 PHE A 393 0.448 -0.293 -3.885 1.00 0.00 H new ATOM 0 HD2 PHE A 393 1.276 2.618 -6.985 1.00 0.00 H new ATOM 0 HE1 PHE A 393 -2.002 0.154 -4.121 1.00 0.00 H new ATOM 0 HE2 PHE A 393 -1.173 3.064 -7.219 1.00 0.00 H new ATOM 0 HZ PHE A 393 -2.812 1.834 -5.788 1.00 0.00 H new ATOM 461 N GLN A 394 5.455 1.209 -3.990 1.00 0.00 N ATOM 462 CA GLN A 394 6.766 0.545 -3.650 1.00 0.00 C ATOM 463 C GLN A 394 7.151 0.817 -2.185 1.00 0.00 C ATOM 464 O GLN A 394 7.796 0.001 -1.555 1.00 0.00 O ATOM 465 CB GLN A 394 7.830 1.130 -4.592 1.00 0.00 C ATOM 466 CG GLN A 394 7.647 0.556 -6.001 1.00 0.00 C ATOM 467 CD GLN A 394 6.903 1.573 -6.869 1.00 0.00 C ATOM 468 OE1 GLN A 394 7.520 2.424 -7.476 1.00 0.00 O ATOM 469 NE2 GLN A 394 5.599 1.517 -6.969 1.00 0.00 N ATOM 0 H GLN A 394 5.522 2.054 -4.558 1.00 0.00 H new ATOM 0 HA GLN A 394 6.687 -0.535 -3.773 1.00 0.00 H new ATOM 0 HB2 GLN A 394 7.748 2.217 -4.618 1.00 0.00 H new ATOM 0 HB3 GLN A 394 8.827 0.895 -4.220 1.00 0.00 H new ATOM 0 HG2 GLN A 394 8.617 0.326 -6.441 1.00 0.00 H new ATOM 0 HG3 GLN A 394 7.088 -0.379 -5.956 1.00 0.00 H new ATOM 0 HE21 GLN A 394 5.079 0.803 -6.460 1.00 0.00 H new ATOM 0 HE22 GLN A 394 5.103 2.188 -7.556 1.00 0.00 H new ATOM 478 N HIS A 395 6.783 1.957 -1.639 1.00 0.00 N ATOM 479 CA HIS A 395 7.161 2.256 -0.211 1.00 0.00 C ATOM 480 C HIS A 395 6.177 1.606 0.781 1.00 0.00 C ATOM 481 O HIS A 395 6.567 1.210 1.865 1.00 0.00 O ATOM 482 CB HIS A 395 7.100 3.778 -0.077 1.00 0.00 C ATOM 483 CG HIS A 395 8.310 4.389 -0.727 1.00 0.00 C ATOM 484 ND1 HIS A 395 8.798 5.631 -0.358 1.00 0.00 N ATOM 485 CD2 HIS A 395 9.143 3.939 -1.724 1.00 0.00 C ATOM 486 CE1 HIS A 395 9.878 5.885 -1.120 1.00 0.00 C ATOM 487 NE2 HIS A 395 10.132 4.886 -1.969 1.00 0.00 N ATOM 0 H HIS A 395 6.245 2.685 -2.110 1.00 0.00 H new ATOM 0 HA HIS A 395 8.149 1.857 0.019 1.00 0.00 H new ATOM 0 HB2 HIS A 395 6.192 4.158 -0.545 1.00 0.00 H new ATOM 0 HB3 HIS A 395 7.059 4.059 0.975 1.00 0.00 H new ATOM 0 HD2 HIS A 395 9.044 2.994 -2.238 1.00 0.00 H new ATOM 0 HE1 HIS A 395 10.468 6.787 -1.053 1.00 0.00 H new ATOM 0 HE2 HIS A 395 10.889 4.829 -2.651 1.00 0.00 H new ATOM 496 N PHE A 396 4.907 1.505 0.439 1.00 0.00 N ATOM 497 CA PHE A 396 3.920 0.897 1.389 1.00 0.00 C ATOM 498 C PHE A 396 3.183 -0.281 0.732 1.00 0.00 C ATOM 499 O PHE A 396 2.841 -0.228 -0.434 1.00 0.00 O ATOM 500 CB PHE A 396 2.928 2.021 1.697 1.00 0.00 C ATOM 501 CG PHE A 396 3.646 3.186 2.336 1.00 0.00 C ATOM 502 CD1 PHE A 396 4.365 4.108 1.528 1.00 0.00 C ATOM 503 CD2 PHE A 396 3.598 3.363 3.745 1.00 0.00 C ATOM 504 CE1 PHE A 396 5.037 5.206 2.129 1.00 0.00 C ATOM 505 CE2 PHE A 396 4.268 4.462 4.346 1.00 0.00 C ATOM 506 CZ PHE A 396 4.988 5.383 3.538 1.00 0.00 C ATOM 0 H PHE A 396 4.518 1.816 -0.451 1.00 0.00 H new ATOM 0 HA PHE A 396 4.408 0.509 2.283 1.00 0.00 H new ATOM 0 HB2 PHE A 396 2.437 2.345 0.779 1.00 0.00 H new ATOM 0 HB3 PHE A 396 2.147 1.655 2.364 1.00 0.00 H new ATOM 0 HD1 PHE A 396 4.401 3.974 0.457 1.00 0.00 H new ATOM 0 HD2 PHE A 396 3.052 2.662 4.359 1.00 0.00 H new ATOM 0 HE1 PHE A 396 5.585 5.906 1.515 1.00 0.00 H new ATOM 0 HE2 PHE A 396 4.230 4.598 5.417 1.00 0.00 H new ATOM 0 HZ PHE A 396 5.498 6.218 3.995 1.00 0.00 H new ATOM 516 N SER A 397 2.914 -1.335 1.477 1.00 0.00 N ATOM 517 CA SER A 397 2.179 -2.493 0.891 1.00 0.00 C ATOM 518 C SER A 397 0.680 -2.290 1.099 1.00 0.00 C ATOM 519 O SER A 397 0.269 -1.377 1.792 1.00 0.00 O ATOM 520 CB SER A 397 2.677 -3.751 1.620 1.00 0.00 C ATOM 521 OG SER A 397 3.137 -4.694 0.660 1.00 0.00 O ATOM 0 H SER A 397 3.173 -1.436 2.458 1.00 0.00 H new ATOM 0 HA SER A 397 2.355 -2.590 -0.180 1.00 0.00 H new ATOM 0 HB2 SER A 397 3.481 -3.493 2.309 1.00 0.00 H new ATOM 0 HB3 SER A 397 1.873 -4.183 2.216 1.00 0.00 H new ATOM 0 HG SER A 397 3.601 -5.426 1.117 1.00 0.00 H new ATOM 527 N HIS A 398 -0.143 -3.111 0.492 1.00 0.00 N ATOM 528 CA HIS A 398 -1.608 -2.929 0.650 1.00 0.00 C ATOM 529 C HIS A 398 -2.305 -4.289 0.676 1.00 0.00 C ATOM 530 O HIS A 398 -1.803 -5.240 0.113 1.00 0.00 O ATOM 531 CB HIS A 398 -2.037 -2.116 -0.578 1.00 0.00 C ATOM 532 CG HIS A 398 -1.402 -0.746 -0.540 1.00 0.00 C ATOM 533 ND1 HIS A 398 -0.208 -0.460 -1.188 1.00 0.00 N ATOM 534 CD2 HIS A 398 -1.790 0.427 0.059 1.00 0.00 C ATOM 535 CE1 HIS A 398 0.076 0.839 -0.962 1.00 0.00 C ATOM 536 NE2 HIS A 398 -0.858 1.426 -0.205 1.00 0.00 N ATOM 0 H HIS A 398 0.140 -3.892 -0.100 1.00 0.00 H new ATOM 0 HA HIS A 398 -1.870 -2.425 1.580 1.00 0.00 H new ATOM 0 HB2 HIS A 398 -1.743 -2.637 -1.489 1.00 0.00 H new ATOM 0 HB3 HIS A 398 -3.123 -2.022 -0.601 1.00 0.00 H new ATOM 0 HD1 HIS A 398 0.352 -1.113 -1.735 1.00 0.00 H new ATOM 0 HD2 HIS A 398 -2.686 0.555 0.648 1.00 0.00 H new ATOM 0 HE1 HIS A 398 0.951 1.344 -1.345 1.00 0.00 H new ATOM 544 N PRO A 399 -3.452 -4.349 1.316 1.00 0.00 N ATOM 545 CA PRO A 399 -4.202 -5.627 1.378 1.00 0.00 C ATOM 546 C PRO A 399 -4.544 -6.068 -0.054 1.00 0.00 C ATOM 547 O PRO A 399 -4.874 -5.248 -0.892 1.00 0.00 O ATOM 548 CB PRO A 399 -5.435 -5.279 2.221 1.00 0.00 C ATOM 549 CG PRO A 399 -5.575 -3.799 2.081 1.00 0.00 C ATOM 550 CD PRO A 399 -4.169 -3.268 2.011 1.00 0.00 C ATOM 0 HA PRO A 399 -3.659 -6.463 1.820 1.00 0.00 H new ATOM 0 HB2 PRO A 399 -6.323 -5.798 1.860 1.00 0.00 H new ATOM 0 HB3 PRO A 399 -5.299 -5.568 3.263 1.00 0.00 H new ATOM 0 HG2 PRO A 399 -6.137 -3.541 1.184 1.00 0.00 H new ATOM 0 HG3 PRO A 399 -6.114 -3.374 2.928 1.00 0.00 H new ATOM 0 HD2 PRO A 399 -4.117 -2.328 1.461 1.00 0.00 H new ATOM 0 HD3 PRO A 399 -3.757 -3.080 3.002 1.00 0.00 H new ATOM 558 N GLY A 400 -4.426 -7.343 -0.359 1.00 0.00 N ATOM 559 CA GLY A 400 -4.699 -7.800 -1.752 1.00 0.00 C ATOM 560 C GLY A 400 -3.372 -8.048 -2.521 1.00 0.00 C ATOM 561 O GLY A 400 -3.405 -8.478 -3.659 1.00 0.00 O ATOM 0 H GLY A 400 -4.154 -8.077 0.295 1.00 0.00 H new ATOM 0 HA2 GLY A 400 -5.289 -8.717 -1.730 1.00 0.00 H new ATOM 0 HA3 GLY A 400 -5.293 -7.051 -2.275 1.00 0.00 H new ATOM 565 N ASP A 401 -2.204 -7.823 -1.917 1.00 0.00 N ATOM 566 CA ASP A 401 -0.929 -8.100 -2.637 1.00 0.00 C ATOM 567 C ASP A 401 -0.204 -9.246 -1.926 1.00 0.00 C ATOM 568 O ASP A 401 -0.544 -9.591 -0.809 1.00 0.00 O ATOM 569 CB ASP A 401 -0.109 -6.812 -2.558 1.00 0.00 C ATOM 570 CG ASP A 401 -0.624 -5.818 -3.601 1.00 0.00 C ATOM 571 OD1 ASP A 401 -0.883 -6.241 -4.716 1.00 0.00 O ATOM 572 OD2 ASP A 401 -0.745 -4.651 -3.269 1.00 0.00 O ATOM 0 H ASP A 401 -2.098 -7.464 -0.968 1.00 0.00 H new ATOM 0 HA ASP A 401 -1.089 -8.391 -3.675 1.00 0.00 H new ATOM 0 HB2 ASP A 401 -0.184 -6.381 -1.560 1.00 0.00 H new ATOM 0 HB3 ASP A 401 0.945 -7.027 -2.734 1.00 0.00 H new ATOM 577 N SER A 402 0.783 -9.844 -2.551 1.00 0.00 N ATOM 578 CA SER A 402 1.505 -10.978 -1.876 1.00 0.00 C ATOM 579 C SER A 402 2.358 -10.478 -0.699 1.00 0.00 C ATOM 580 O SER A 402 2.652 -11.240 0.204 1.00 0.00 O ATOM 581 CB SER A 402 2.410 -11.618 -2.937 1.00 0.00 C ATOM 582 OG SER A 402 2.882 -12.871 -2.459 1.00 0.00 O ATOM 0 H SER A 402 1.118 -9.604 -3.484 1.00 0.00 H new ATOM 0 HA SER A 402 0.788 -11.692 -1.472 1.00 0.00 H new ATOM 0 HB2 SER A 402 1.858 -11.755 -3.867 1.00 0.00 H new ATOM 0 HB3 SER A 402 3.251 -10.961 -3.159 1.00 0.00 H new ATOM 0 HG SER A 402 3.459 -13.283 -3.135 1.00 0.00 H new ATOM 588 N ASP A 403 2.789 -9.230 -0.695 1.00 0.00 N ATOM 589 CA ASP A 403 3.650 -8.758 0.440 1.00 0.00 C ATOM 590 C ASP A 403 2.859 -7.989 1.512 1.00 0.00 C ATOM 591 O ASP A 403 3.456 -7.470 2.436 1.00 0.00 O ATOM 592 CB ASP A 403 4.707 -7.847 -0.195 1.00 0.00 C ATOM 593 CG ASP A 403 5.585 -8.673 -1.136 1.00 0.00 C ATOM 594 OD1 ASP A 403 6.181 -9.630 -0.669 1.00 0.00 O ATOM 595 OD2 ASP A 403 5.646 -8.338 -2.307 1.00 0.00 O ATOM 0 H ASP A 403 2.586 -8.535 -1.413 1.00 0.00 H new ATOM 0 HA ASP A 403 4.086 -9.612 0.959 1.00 0.00 H new ATOM 0 HB2 ASP A 403 4.225 -7.039 -0.745 1.00 0.00 H new ATOM 0 HB3 ASP A 403 5.319 -7.385 0.580 1.00 0.00 H new ATOM 600 N TYR A 404 1.538 -7.900 1.431 1.00 0.00 N ATOM 601 CA TYR A 404 0.792 -7.149 2.504 1.00 0.00 C ATOM 602 C TYR A 404 1.136 -7.751 3.873 1.00 0.00 C ATOM 603 O TYR A 404 1.307 -8.951 4.000 1.00 0.00 O ATOM 604 CB TYR A 404 -0.711 -7.303 2.226 1.00 0.00 C ATOM 605 CG TYR A 404 -1.483 -6.462 3.220 1.00 0.00 C ATOM 606 CD1 TYR A 404 -1.197 -5.075 3.347 1.00 0.00 C ATOM 607 CD2 TYR A 404 -2.487 -7.057 4.032 1.00 0.00 C ATOM 608 CE1 TYR A 404 -1.915 -4.284 4.283 1.00 0.00 C ATOM 609 CE2 TYR A 404 -3.206 -6.264 4.969 1.00 0.00 C ATOM 610 CZ TYR A 404 -2.919 -4.878 5.093 1.00 0.00 C ATOM 611 OH TYR A 404 -3.614 -4.108 6.004 1.00 0.00 O ATOM 0 H TYR A 404 0.963 -8.303 0.691 1.00 0.00 H new ATOM 0 HA TYR A 404 1.068 -6.095 2.505 1.00 0.00 H new ATOM 0 HB2 TYR A 404 -0.940 -6.988 1.208 1.00 0.00 H new ATOM 0 HB3 TYR A 404 -1.004 -8.349 2.310 1.00 0.00 H new ATOM 0 HD1 TYR A 404 -0.433 -4.623 2.731 1.00 0.00 H new ATOM 0 HD2 TYR A 404 -2.704 -8.111 3.937 1.00 0.00 H new ATOM 0 HE1 TYR A 404 -1.697 -3.230 4.379 1.00 0.00 H new ATOM 0 HE2 TYR A 404 -3.969 -6.715 5.586 1.00 0.00 H new ATOM 0 HH TYR A 404 -4.265 -4.668 6.476 1.00 0.00 H new ATOM 621 N GLY A 405 1.242 -6.934 4.889 1.00 0.00 N ATOM 622 CA GLY A 405 1.580 -7.478 6.241 1.00 0.00 C ATOM 623 C GLY A 405 1.134 -6.500 7.325 1.00 0.00 C ATOM 624 O GLY A 405 1.846 -6.267 8.283 1.00 0.00 O ATOM 0 H GLY A 405 1.111 -5.923 4.844 1.00 0.00 H new ATOM 0 HA2 GLY A 405 1.092 -8.442 6.386 1.00 0.00 H new ATOM 0 HA3 GLY A 405 2.654 -7.650 6.315 1.00 0.00 H new ATOM 628 N GLY A 406 -0.035 -5.920 7.185 1.00 0.00 N ATOM 629 CA GLY A 406 -0.511 -4.962 8.211 1.00 0.00 C ATOM 630 C GLY A 406 -1.494 -5.664 9.137 1.00 0.00 C ATOM 631 O GLY A 406 -1.314 -5.679 10.339 1.00 0.00 O ATOM 0 H GLY A 406 -0.672 -6.074 6.404 1.00 0.00 H new ATOM 0 HA2 GLY A 406 0.332 -4.575 8.783 1.00 0.00 H new ATOM 0 HA3 GLY A 406 -0.991 -4.108 7.733 1.00 0.00 H new ATOM 635 N VAL A 407 -2.523 -6.274 8.582 1.00 0.00 N ATOM 636 CA VAL A 407 -3.524 -7.008 9.408 1.00 0.00 C ATOM 637 C VAL A 407 -3.932 -6.200 10.659 1.00 0.00 C ATOM 638 O VAL A 407 -3.643 -6.590 11.776 1.00 0.00 O ATOM 639 CB VAL A 407 -2.814 -8.311 9.775 1.00 0.00 C ATOM 640 CG1 VAL A 407 -3.704 -9.162 10.684 1.00 0.00 C ATOM 641 CG2 VAL A 407 -2.505 -9.092 8.492 1.00 0.00 C ATOM 0 H VAL A 407 -2.707 -6.290 7.579 1.00 0.00 H new ATOM 0 HA VAL A 407 -4.459 -7.183 8.876 1.00 0.00 H new ATOM 0 HB VAL A 407 -1.890 -8.078 10.304 1.00 0.00 H new ATOM 0 HG11 VAL A 407 -3.186 -10.087 10.938 1.00 0.00 H new ATOM 0 HG12 VAL A 407 -3.927 -8.609 11.596 1.00 0.00 H new ATOM 0 HG13 VAL A 407 -4.634 -9.397 10.166 1.00 0.00 H new ATOM 0 HG21 VAL A 407 -1.998 -10.023 8.746 1.00 0.00 H new ATOM 0 HG22 VAL A 407 -3.435 -9.316 7.969 1.00 0.00 H new ATOM 0 HG23 VAL A 407 -1.862 -8.493 7.847 1.00 0.00 H new ATOM 651 N GLN A 408 -4.594 -5.077 10.477 1.00 0.00 N ATOM 652 CA GLN A 408 -5.007 -4.251 11.655 1.00 0.00 C ATOM 653 C GLN A 408 -6.519 -4.404 11.904 1.00 0.00 C ATOM 654 O GLN A 408 -7.286 -3.491 11.662 1.00 0.00 O ATOM 655 CB GLN A 408 -4.663 -2.800 11.284 1.00 0.00 C ATOM 656 CG GLN A 408 -3.163 -2.676 10.951 1.00 0.00 C ATOM 657 CD GLN A 408 -2.974 -2.252 9.482 1.00 0.00 C ATOM 658 OE1 GLN A 408 -3.912 -1.842 8.829 1.00 0.00 O ATOM 659 NE2 GLN A 408 -1.788 -2.327 8.927 1.00 0.00 N ATOM 0 H GLN A 408 -4.863 -4.701 9.568 1.00 0.00 H new ATOM 0 HA GLN A 408 -4.499 -4.560 12.569 1.00 0.00 H new ATOM 0 HB2 GLN A 408 -5.260 -2.485 10.428 1.00 0.00 H new ATOM 0 HB3 GLN A 408 -4.915 -2.136 12.111 1.00 0.00 H new ATOM 0 HG2 GLN A 408 -2.697 -1.944 11.611 1.00 0.00 H new ATOM 0 HG3 GLN A 408 -2.664 -3.629 11.129 1.00 0.00 H new ATOM 0 HE21 GLN A 408 -0.993 -2.670 9.467 1.00 0.00 H new ATOM 0 HE22 GLN A 408 -1.660 -2.042 7.956 1.00 0.00 H new ATOM 668 N ILE A 409 -6.959 -5.551 12.394 1.00 0.00 N ATOM 669 CA ILE A 409 -8.420 -5.759 12.665 1.00 0.00 C ATOM 670 C ILE A 409 -9.268 -5.383 11.434 1.00 0.00 C ATOM 671 O ILE A 409 -9.963 -4.385 11.437 1.00 0.00 O ATOM 672 CB ILE A 409 -8.729 -4.838 13.851 1.00 0.00 C ATOM 673 CG1 ILE A 409 -7.893 -5.271 15.069 1.00 0.00 C ATOM 674 CG2 ILE A 409 -10.227 -4.892 14.199 1.00 0.00 C ATOM 675 CD1 ILE A 409 -8.245 -6.708 15.477 1.00 0.00 C ATOM 0 H ILE A 409 -6.364 -6.349 12.616 1.00 0.00 H new ATOM 0 HA ILE A 409 -8.655 -6.801 12.883 1.00 0.00 H new ATOM 0 HB ILE A 409 -8.473 -3.814 13.579 1.00 0.00 H new ATOM 0 HG12 ILE A 409 -6.831 -5.203 14.832 1.00 0.00 H new ATOM 0 HG13 ILE A 409 -8.077 -4.594 15.903 1.00 0.00 H new ATOM 0 HG21 ILE A 409 -10.428 -4.232 15.043 1.00 0.00 H new ATOM 0 HG22 ILE A 409 -10.812 -4.569 13.338 1.00 0.00 H new ATOM 0 HG23 ILE A 409 -10.503 -5.913 14.463 1.00 0.00 H new ATOM 0 HD11 ILE A 409 -7.645 -6.999 16.339 1.00 0.00 H new ATOM 0 HD12 ILE A 409 -9.303 -6.764 15.735 1.00 0.00 H new ATOM 0 HD13 ILE A 409 -8.038 -7.383 14.647 1.00 0.00 H new ATOM 687 N VAL A 410 -9.227 -6.185 10.392 1.00 0.00 N ATOM 688 CA VAL A 410 -10.043 -5.883 9.177 1.00 0.00 C ATOM 689 C VAL A 410 -11.115 -6.970 9.019 1.00 0.00 C ATOM 690 O VAL A 410 -10.951 -7.899 8.251 1.00 0.00 O ATOM 691 CB VAL A 410 -9.056 -5.914 8.004 1.00 0.00 C ATOM 692 CG1 VAL A 410 -9.797 -5.616 6.697 1.00 0.00 C ATOM 693 CG2 VAL A 410 -7.967 -4.858 8.219 1.00 0.00 C ATOM 0 H VAL A 410 -8.663 -7.033 10.334 1.00 0.00 H new ATOM 0 HA VAL A 410 -10.551 -4.920 9.234 1.00 0.00 H new ATOM 0 HB VAL A 410 -8.600 -6.903 7.947 1.00 0.00 H new ATOM 0 HG11 VAL A 410 -9.092 -5.639 5.866 1.00 0.00 H new ATOM 0 HG12 VAL A 410 -10.570 -6.367 6.538 1.00 0.00 H new ATOM 0 HG13 VAL A 410 -10.256 -4.629 6.756 1.00 0.00 H new ATOM 0 HG21 VAL A 410 -7.267 -4.882 7.384 1.00 0.00 H new ATOM 0 HG22 VAL A 410 -8.425 -3.871 8.280 1.00 0.00 H new ATOM 0 HG23 VAL A 410 -7.434 -5.069 9.146 1.00 0.00 H new ATOM 703 N GLY A 411 -12.202 -6.877 9.758 1.00 0.00 N ATOM 704 CA GLY A 411 -13.260 -7.923 9.663 1.00 0.00 C ATOM 705 C GLY A 411 -12.811 -9.139 10.481 1.00 0.00 C ATOM 706 O GLY A 411 -12.669 -10.228 9.958 1.00 0.00 O ATOM 0 H GLY A 411 -12.395 -6.123 10.417 1.00 0.00 H new ATOM 0 HA2 GLY A 411 -14.208 -7.540 10.042 1.00 0.00 H new ATOM 0 HA3 GLY A 411 -13.423 -8.205 8.623 1.00 0.00 H new ATOM 710 N GLN A 412 -12.566 -8.957 11.766 1.00 0.00 N ATOM 711 CA GLN A 412 -12.101 -10.108 12.628 1.00 0.00 C ATOM 712 C GLN A 412 -13.003 -11.343 12.432 1.00 0.00 C ATOM 713 O GLN A 412 -12.564 -12.354 11.917 1.00 0.00 O ATOM 714 CB GLN A 412 -12.186 -9.624 14.088 1.00 0.00 C ATOM 715 CG GLN A 412 -11.145 -8.528 14.328 1.00 0.00 C ATOM 716 CD GLN A 412 -11.718 -7.477 15.290 1.00 0.00 C ATOM 717 OE1 GLN A 412 -11.358 -7.447 16.451 1.00 0.00 O ATOM 718 NE2 GLN A 412 -12.601 -6.607 14.861 1.00 0.00 N ATOM 0 H GLN A 412 -12.667 -8.067 12.254 1.00 0.00 H new ATOM 0 HA GLN A 412 -11.086 -10.402 12.360 1.00 0.00 H new ATOM 0 HB2 GLN A 412 -13.185 -9.242 14.297 1.00 0.00 H new ATOM 0 HB3 GLN A 412 -12.014 -10.458 14.769 1.00 0.00 H new ATOM 0 HG2 GLN A 412 -10.236 -8.961 14.745 1.00 0.00 H new ATOM 0 HG3 GLN A 412 -10.870 -8.060 13.383 1.00 0.00 H new ATOM 0 HE21 GLN A 412 -12.906 -6.628 13.888 1.00 0.00 H new ATOM 0 HE22 GLN A 412 -12.982 -5.910 15.500 1.00 0.00 H new ATOM 727 N ASP A 413 -14.257 -11.271 12.835 1.00 0.00 N ATOM 728 CA ASP A 413 -15.166 -12.448 12.662 1.00 0.00 C ATOM 729 C ASP A 413 -16.642 -12.011 12.704 1.00 0.00 C ATOM 730 O ASP A 413 -17.474 -12.694 13.273 1.00 0.00 O ATOM 731 CB ASP A 413 -14.849 -13.368 13.841 1.00 0.00 C ATOM 732 CG ASP A 413 -13.742 -14.346 13.443 1.00 0.00 C ATOM 733 OD1 ASP A 413 -13.828 -14.896 12.357 1.00 0.00 O ATOM 734 OD2 ASP A 413 -12.827 -14.527 14.229 1.00 0.00 O ATOM 0 H ASP A 413 -14.683 -10.453 13.272 1.00 0.00 H new ATOM 0 HA ASP A 413 -15.015 -12.940 11.701 1.00 0.00 H new ATOM 0 HB2 ASP A 413 -14.535 -12.778 14.702 1.00 0.00 H new ATOM 0 HB3 ASP A 413 -15.743 -13.916 14.139 1.00 0.00 H new ATOM 739 N GLU A 414 -16.977 -10.882 12.110 1.00 0.00 N ATOM 740 CA GLU A 414 -18.399 -10.421 12.127 1.00 0.00 C ATOM 741 C GLU A 414 -18.972 -10.414 10.703 1.00 0.00 C ATOM 742 O GLU A 414 -19.697 -9.510 10.330 1.00 0.00 O ATOM 743 CB GLU A 414 -18.353 -9.002 12.698 1.00 0.00 C ATOM 744 CG GLU A 414 -19.561 -8.777 13.611 1.00 0.00 C ATOM 745 CD GLU A 414 -19.161 -7.867 14.773 1.00 0.00 C ATOM 746 OE1 GLU A 414 -18.360 -8.296 15.588 1.00 0.00 O ATOM 747 OE2 GLU A 414 -19.662 -6.756 14.829 1.00 0.00 O ATOM 0 H GLU A 414 -16.327 -10.268 11.619 1.00 0.00 H new ATOM 0 HA GLU A 414 -19.037 -11.075 12.721 1.00 0.00 H new ATOM 0 HB2 GLU A 414 -17.429 -8.854 13.257 1.00 0.00 H new ATOM 0 HB3 GLU A 414 -18.356 -8.273 11.888 1.00 0.00 H new ATOM 0 HG2 GLU A 414 -20.377 -8.326 13.047 1.00 0.00 H new ATOM 0 HG3 GLU A 414 -19.925 -9.731 13.991 1.00 0.00 H new ATOM 754 N THR A 415 -18.660 -11.413 9.904 1.00 0.00 N ATOM 755 CA THR A 415 -19.196 -11.455 8.512 1.00 0.00 C ATOM 756 C THR A 415 -19.986 -12.754 8.294 1.00 0.00 C ATOM 757 O THR A 415 -19.600 -13.596 7.504 1.00 0.00 O ATOM 758 CB THR A 415 -17.965 -11.405 7.598 1.00 0.00 C ATOM 759 OG1 THR A 415 -16.800 -11.753 8.337 1.00 0.00 O ATOM 760 CG2 THR A 415 -17.808 -9.994 7.030 1.00 0.00 C ATOM 0 H THR A 415 -18.059 -12.196 10.160 1.00 0.00 H new ATOM 0 HA THR A 415 -19.877 -10.629 8.307 1.00 0.00 H new ATOM 0 HB THR A 415 -18.096 -12.114 6.781 1.00 0.00 H new ATOM 0 HG1 THR A 415 -16.017 -11.721 7.748 1.00 0.00 H new ATOM 0 HG21 THR A 415 -16.933 -9.958 6.381 1.00 0.00 H new ATOM 0 HG22 THR A 415 -18.697 -9.732 6.456 1.00 0.00 H new ATOM 0 HG23 THR A 415 -17.682 -9.285 7.848 1.00 0.00 H new ATOM 768 N ASP A 416 -21.090 -12.925 8.991 1.00 0.00 N ATOM 769 CA ASP A 416 -21.898 -14.170 8.822 1.00 0.00 C ATOM 770 C ASP A 416 -23.302 -13.825 8.300 1.00 0.00 C ATOM 771 O ASP A 416 -24.285 -14.385 8.749 1.00 0.00 O ATOM 772 CB ASP A 416 -21.981 -14.780 10.221 1.00 0.00 C ATOM 773 CG ASP A 416 -22.396 -16.249 10.114 1.00 0.00 C ATOM 774 OD1 ASP A 416 -21.643 -17.016 9.538 1.00 0.00 O ATOM 775 OD2 ASP A 416 -23.459 -16.581 10.611 1.00 0.00 O ATOM 0 H ASP A 416 -21.461 -12.256 9.666 1.00 0.00 H new ATOM 0 HA ASP A 416 -21.453 -14.858 8.103 1.00 0.00 H new ATOM 0 HB2 ASP A 416 -21.016 -14.699 10.722 1.00 0.00 H new ATOM 0 HB3 ASP A 416 -22.702 -14.231 10.827 1.00 0.00 H new ATOM 780 N ASP A 417 -23.408 -12.910 7.358 1.00 0.00 N ATOM 781 CA ASP A 417 -24.752 -12.542 6.819 1.00 0.00 C ATOM 782 C ASP A 417 -24.766 -12.679 5.294 1.00 0.00 C ATOM 783 O ASP A 417 -25.440 -13.571 4.806 1.00 0.00 O ATOM 784 CB ASP A 417 -24.956 -11.083 7.228 1.00 0.00 C ATOM 785 CG ASP A 417 -25.692 -11.026 8.568 1.00 0.00 C ATOM 786 OD1 ASP A 417 -25.177 -11.574 9.528 1.00 0.00 O ATOM 787 OD2 ASP A 417 -26.759 -10.436 8.611 1.00 0.00 O ATOM 0 H ASP A 417 -22.623 -12.407 6.944 1.00 0.00 H new ATOM 0 HA ASP A 417 -25.542 -13.188 7.203 1.00 0.00 H new ATOM 0 HB2 ASP A 417 -23.993 -10.579 7.308 1.00 0.00 H new ATOM 0 HB3 ASP A 417 -25.528 -10.557 6.464 1.00 0.00 H new TER 792 ASP A 417 HETATM 793 ZN ZN A1001 -0.956 3.415 0.500 1.00 0.00 ZN HETATM 794 O5' ADN A1002 -5.599 12.506 9.902 1.00 0.00 O HETATM 795 C5' ADN A1002 -6.275 12.374 8.654 1.00 0.00 C HETATM 796 C4' ADN A1002 -5.277 12.178 7.538 1.00 0.00 C HETATM 797 O4' ADN A1002 -4.896 10.777 7.487 1.00 0.00 O HETATM 798 C3' ADN A1002 -5.795 12.497 6.141 1.00 0.00 C HETATM 799 O3' ADN A1002 -5.619 13.865 5.797 1.00 0.00 O HETATM 800 C2' ADN A1002 -4.942 11.590 5.264 1.00 0.00 C HETATM 801 O2' ADN A1002 -3.648 12.145 5.091 1.00 0.00 O HETATM 802 C1' ADN A1002 -4.853 10.343 6.139 1.00 0.00 C HETATM 803 N9 ADN A1002 -5.911 9.351 5.919 1.00 0.00 N HETATM 804 C8 ADN A1002 -7.098 9.204 6.603 1.00 0.00 C HETATM 805 N7 ADN A1002 -7.847 8.217 6.172 1.00 0.00 N HETATM 806 C5 ADN A1002 -7.109 7.669 5.135 1.00 0.00 C HETATM 807 C6 ADN A1002 -7.343 6.571 4.244 1.00 0.00 C HETATM 808 N6 ADN A1002 -8.442 5.815 4.281 1.00 0.00 N HETATM 809 N1 ADN A1002 -6.384 6.284 3.304 1.00 0.00 N HETATM 810 C2 ADN A1002 -5.260 7.053 3.259 1.00 0.00 C HETATM 811 N3 ADN A1002 -4.934 8.109 4.047 1.00 0.00 N HETATM 812 C4 ADN A1002 -5.907 8.363 4.966 1.00 0.00 C HETATM 0 HO5' ADN A1002 -6.256 12.634 10.618 1.00 0.00 H new HETATM 0 HO3' ADN A1002 -4.763 13.978 5.334 1.00 0.00 H new HETATM 0 HN62 ADN A1002 -8.554 5.046 3.621 1.00 0.00 H new HETATM 0 HN61 ADN A1002 -9.170 6.007 4.969 1.00 0.00 H new HETATM 0 H5'2 ADN A1002 -6.961 11.527 8.691 1.00 0.00 H new HETATM 0 H5'1 ADN A1002 -6.876 13.263 8.462 1.00 0.00 H new HETATM 0 H8 ADN A1002 -7.389 9.851 7.430 1.00 0.00 H new HETATM 0 H4' ADN A1002 -4.464 12.866 7.772 1.00 0.00 H new HETATM 0 H3' ADN A1002 -6.867 12.332 6.037 1.00 0.00 H new HETATM 0 H2' ADN A1002 -5.342 11.425 4.263 1.00 0.00 H new HETATM 0 H2 ADN A1002 -4.531 6.787 2.494 1.00 0.00 H new HETATM 0 H1' ADN A1002 -3.927 9.831 5.878 1.00 0.00 H new HETATM 825 O5' RIB A1003 -2.343 15.064 1.374 1.00 0.00 O HETATM 826 C5' RIB A1003 -1.612 13.849 1.231 1.00 0.00 C HETATM 827 C4' RIB A1003 -1.555 13.116 2.550 1.00 0.00 C HETATM 828 O4' RIB A1003 -2.834 13.244 3.226 1.00 0.00 O HETATM 829 C3' RIB A1003 -1.287 11.620 2.461 1.00 0.00 C HETATM 830 O3' RIB A1003 0.107 11.339 2.496 1.00 0.00 O HETATM 831 C2' RIB A1003 -2.008 11.070 3.686 1.00 0.00 C HETATM 832 O2' RIB A1003 -1.221 11.242 4.848 1.00 0.00 O HETATM 833 C1' RIB A1003 -3.227 11.990 3.750 1.00 0.00 C HETATM 0 HO5' RIB A1003 -3.001 14.967 2.094 1.00 0.00 H new HETATM 0 HO3' RIB A1003 0.391 11.209 3.425 1.00 0.00 H new HETATM 0 HO2' RIB A1003 -1.800 11.471 5.605 1.00 0.00 H new HETATM 0 H5'2 RIB A1003 -2.084 13.219 0.477 1.00 0.00 H new HETATM 0 H5'1 RIB A1003 -0.602 14.063 0.882 1.00 0.00 H new HETATM 0 H4' RIB A1003 -0.719 13.577 3.076 1.00 0.00 H new HETATM 0 H3' RIB A1003 -1.635 11.174 1.529 1.00 0.00 H new HETATM 0 H2' RIB A1003 -2.236 10.006 3.627 1.00 0.00 H new