USER MOD reduce.3.24.130724 H: found=0, std=0, add=392, rem=0, adj=17 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 381 TYR OH : rot 119:sc= 0.836 USER MOD Set 1.2: A1002 ADN O5' : rot 22:sc= -3.55! USER MOD Set 2.1: A 380 MET CE :methyl -120:sc= -0.734 (180deg=-2.4!) USER MOD Set 2.2: A1003 RIB O2' : rot 140:sc= 0.435 USER MOD Set 3.1: A 378 SER OG : rot 180:sc= 0.0394 USER MOD Set 3.2: A 408 GLN : amide:sc= -1.54 X(o=-1.5,f=-2) 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= -0.0904 X(o=-0.09,f=0) 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 384 ASN :FLIP amide:sc= -0.908 F(o=-2.9,f=-0.91) USER MOD Single : A 386 TYR OH : rot 120:sc= -1.18 USER MOD Single : A 388 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 389 ASN : amide:sc=-0.00306 K(o=-0.0031,f=-1.4) USER MOD Single : A 394 GLN : amide:sc= -0.626 K(o=-0.63,f=-2.5!) USER MOD Single : A 395 HIS : no HD1:sc= -0.299 X(o=-0.3,f=-0.51) USER MOD Single : A 397 SER OG : rot 171:sc= -3.07! USER MOD Single : A 402 SER OG : rot 180:sc= 0.119 USER MOD Single : A 404 TYR OH : rot -110:sc= 1.24 USER MOD Single : A 412 GLN : amide:sc= -3.13! C(o=-3.1!,f=-3.1!) USER MOD Single : A 415 THR OG1 : rot 180:sc= 0.0585 USER MOD Single : A1002 ADN O3' : rot 93:sc= 0.131 USER MOD Single : A1003 RIB O3' : rot 87:sc= 0.173 USER MOD Single : A1003 RIB O5' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 363 -6.897 -16.571 -10.254 1.00 0.00 N ATOM 2 CA GLY A 363 -5.669 -16.720 -9.423 1.00 0.00 C ATOM 3 C GLY A 363 -4.662 -15.620 -9.790 1.00 0.00 C ATOM 4 O GLY A 363 -4.844 -14.930 -10.773 1.00 0.00 O ATOM 0 HA2 GLY A 363 -5.924 -16.656 -8.365 1.00 0.00 H new ATOM 0 HA3 GLY A 363 -5.225 -17.702 -9.585 1.00 0.00 H new ATOM 10 N PRO A 364 -3.624 -15.485 -8.991 1.00 0.00 N ATOM 11 CA PRO A 364 -2.598 -14.450 -9.265 1.00 0.00 C ATOM 12 C PRO A 364 -1.735 -14.855 -10.471 1.00 0.00 C ATOM 13 O PRO A 364 -1.501 -16.027 -10.700 1.00 0.00 O ATOM 14 CB PRO A 364 -1.764 -14.418 -7.987 1.00 0.00 C ATOM 15 CG PRO A 364 -1.944 -15.769 -7.373 1.00 0.00 C ATOM 16 CD PRO A 364 -3.307 -16.263 -7.780 1.00 0.00 C ATOM 0 HA PRO A 364 -3.028 -13.479 -9.510 1.00 0.00 H new ATOM 0 HB2 PRO A 364 -0.715 -14.221 -8.206 1.00 0.00 H new ATOM 0 HB3 PRO A 364 -2.103 -13.630 -7.314 1.00 0.00 H new ATOM 0 HG2 PRO A 364 -1.168 -16.454 -7.715 1.00 0.00 H new ATOM 0 HG3 PRO A 364 -1.863 -15.712 -6.287 1.00 0.00 H new ATOM 0 HD2 PRO A 364 -3.298 -17.334 -7.985 1.00 0.00 H new ATOM 0 HD3 PRO A 364 -4.043 -16.095 -6.994 1.00 0.00 H new ATOM 24 N LEU A 365 -1.259 -13.900 -11.245 1.00 0.00 N ATOM 25 CA LEU A 365 -0.415 -14.246 -12.427 1.00 0.00 C ATOM 26 C LEU A 365 0.707 -13.210 -12.602 1.00 0.00 C ATOM 27 O LEU A 365 1.875 -13.547 -12.563 1.00 0.00 O ATOM 28 CB LEU A 365 -1.372 -14.208 -13.621 1.00 0.00 C ATOM 29 CG LEU A 365 -1.054 -15.364 -14.572 1.00 0.00 C ATOM 30 CD1 LEU A 365 -1.925 -16.571 -14.219 1.00 0.00 C ATOM 31 CD2 LEU A 365 -1.341 -14.933 -16.012 1.00 0.00 C ATOM 0 H LEU A 365 -1.421 -12.903 -11.105 1.00 0.00 H new ATOM 0 HA LEU A 365 0.066 -15.218 -12.320 1.00 0.00 H new ATOM 0 HB2 LEU A 365 -2.403 -14.281 -13.276 1.00 0.00 H new ATOM 0 HB3 LEU A 365 -1.278 -13.257 -14.145 1.00 0.00 H new ATOM 0 HG LEU A 365 -0.003 -15.634 -14.475 1.00 0.00 H new ATOM 0 HD11 LEU A 365 -1.698 -17.394 -14.897 1.00 0.00 H new ATOM 0 HD12 LEU A 365 -1.722 -16.879 -13.193 1.00 0.00 H new ATOM 0 HD13 LEU A 365 -2.977 -16.301 -14.315 1.00 0.00 H new ATOM 0 HD21 LEU A 365 -1.115 -15.756 -16.690 1.00 0.00 H new ATOM 0 HD22 LEU A 365 -2.392 -14.662 -16.108 1.00 0.00 H new ATOM 0 HD23 LEU A 365 -0.720 -14.073 -16.265 1.00 0.00 H new ATOM 43 N GLY A 366 0.366 -11.950 -12.793 1.00 0.00 N ATOM 44 CA GLY A 366 1.423 -10.908 -12.967 1.00 0.00 C ATOM 45 C GLY A 366 0.989 -9.610 -12.268 1.00 0.00 C ATOM 46 O GLY A 366 -0.045 -9.051 -12.585 1.00 0.00 O ATOM 0 H GLY A 366 -0.594 -11.606 -12.835 1.00 0.00 H new ATOM 0 HA2 GLY A 366 2.366 -11.260 -12.549 1.00 0.00 H new ATOM 0 HA3 GLY A 366 1.593 -10.722 -14.027 1.00 0.00 H new ATOM 50 N SER A 367 1.766 -9.125 -11.321 1.00 0.00 N ATOM 51 CA SER A 367 1.384 -7.865 -10.612 1.00 0.00 C ATOM 52 C SER A 367 2.635 -7.027 -10.306 1.00 0.00 C ATOM 53 O SER A 367 3.217 -7.145 -9.244 1.00 0.00 O ATOM 54 CB SER A 367 0.718 -8.328 -9.317 1.00 0.00 C ATOM 55 OG SER A 367 -0.567 -8.858 -9.613 1.00 0.00 O ATOM 0 H SER A 367 2.642 -9.548 -11.013 1.00 0.00 H new ATOM 0 HA SER A 367 0.722 -7.238 -11.210 1.00 0.00 H new ATOM 0 HB2 SER A 367 1.332 -9.085 -8.829 1.00 0.00 H new ATOM 0 HB3 SER A 367 0.628 -7.493 -8.622 1.00 0.00 H new ATOM 0 HG SER A 367 -0.996 -9.157 -8.784 1.00 0.00 H new ATOM 61 N GLY A 368 3.056 -6.179 -11.224 1.00 0.00 N ATOM 62 CA GLY A 368 4.266 -5.342 -10.972 1.00 0.00 C ATOM 63 C GLY A 368 3.888 -4.148 -10.086 1.00 0.00 C ATOM 64 O GLY A 368 3.677 -3.053 -10.576 1.00 0.00 O ATOM 0 H GLY A 368 2.611 -6.036 -12.131 1.00 0.00 H new ATOM 0 HA2 GLY A 368 5.039 -5.938 -10.487 1.00 0.00 H new ATOM 0 HA3 GLY A 368 4.681 -4.990 -11.917 1.00 0.00 H new ATOM 68 N SER A 369 3.798 -4.341 -8.785 1.00 0.00 N ATOM 69 CA SER A 369 3.431 -3.209 -7.882 1.00 0.00 C ATOM 70 C SER A 369 4.226 -3.299 -6.568 1.00 0.00 C ATOM 71 O SER A 369 3.652 -3.342 -5.496 1.00 0.00 O ATOM 72 CB SER A 369 1.935 -3.381 -7.622 1.00 0.00 C ATOM 73 OG SER A 369 1.312 -2.103 -7.607 1.00 0.00 O ATOM 0 H SER A 369 3.963 -5.232 -8.317 1.00 0.00 H new ATOM 0 HA SER A 369 3.657 -2.237 -8.321 1.00 0.00 H new ATOM 0 HB2 SER A 369 1.489 -4.007 -8.395 1.00 0.00 H new ATOM 0 HB3 SER A 369 1.775 -3.888 -6.670 1.00 0.00 H new ATOM 0 HG SER A 369 0.352 -2.209 -7.442 1.00 0.00 H new ATOM 79 N GLU A 370 5.542 -3.329 -6.639 1.00 0.00 N ATOM 80 CA GLU A 370 6.356 -3.417 -5.384 1.00 0.00 C ATOM 81 C GLU A 370 7.799 -2.938 -5.629 1.00 0.00 C ATOM 82 O GLU A 370 8.155 -2.580 -6.738 1.00 0.00 O ATOM 83 CB GLU A 370 6.333 -4.901 -4.998 1.00 0.00 C ATOM 84 CG GLU A 370 6.947 -5.749 -6.118 1.00 0.00 C ATOM 85 CD GLU A 370 6.247 -7.108 -6.172 1.00 0.00 C ATOM 86 OE1 GLU A 370 5.058 -7.128 -6.444 1.00 0.00 O ATOM 87 OE2 GLU A 370 6.911 -8.104 -5.941 1.00 0.00 O ATOM 0 H GLU A 370 6.080 -3.297 -7.505 1.00 0.00 H new ATOM 0 HA GLU A 370 5.954 -2.783 -4.594 1.00 0.00 H new ATOM 0 HB2 GLU A 370 6.888 -5.052 -4.072 1.00 0.00 H new ATOM 0 HB3 GLU A 370 5.308 -5.220 -4.811 1.00 0.00 H new ATOM 0 HG2 GLU A 370 6.844 -5.237 -7.075 1.00 0.00 H new ATOM 0 HG3 GLU A 370 8.014 -5.885 -5.942 1.00 0.00 H new ATOM 94 N GLY A 371 8.633 -2.926 -4.608 1.00 0.00 N ATOM 95 CA GLY A 371 10.042 -2.469 -4.795 1.00 0.00 C ATOM 96 C GLY A 371 10.851 -3.571 -5.492 1.00 0.00 C ATOM 97 O GLY A 371 10.931 -3.610 -6.705 1.00 0.00 O ATOM 0 H GLY A 371 8.393 -3.213 -3.659 1.00 0.00 H new ATOM 0 HA2 GLY A 371 10.063 -1.556 -5.390 1.00 0.00 H new ATOM 0 HA3 GLY A 371 10.489 -2.231 -3.830 1.00 0.00 H new ATOM 101 N ASN A 372 11.454 -4.470 -4.739 1.00 0.00 N ATOM 102 CA ASN A 372 12.253 -5.561 -5.370 1.00 0.00 C ATOM 103 C ASN A 372 11.958 -6.902 -4.676 1.00 0.00 C ATOM 104 O ASN A 372 12.810 -7.462 -4.012 1.00 0.00 O ATOM 105 CB ASN A 372 13.713 -5.152 -5.161 1.00 0.00 C ATOM 106 CG ASN A 372 14.143 -4.199 -6.283 1.00 0.00 C ATOM 107 OD1 ASN A 372 14.737 -4.622 -7.254 1.00 0.00 O ATOM 108 ND2 ASN A 372 13.866 -2.920 -6.196 1.00 0.00 N ATOM 0 H ASN A 372 11.423 -4.489 -3.720 1.00 0.00 H new ATOM 0 HA ASN A 372 12.016 -5.693 -6.426 1.00 0.00 H new ATOM 0 HB2 ASN A 372 13.831 -4.667 -4.192 1.00 0.00 H new ATOM 0 HB3 ASN A 372 14.352 -6.035 -5.155 1.00 0.00 H new ATOM 0 HD21 ASN A 372 14.149 -2.285 -6.942 1.00 0.00 H new ATOM 0 HD22 ASN A 372 13.367 -2.560 -5.382 1.00 0.00 H new ATOM 115 N LYS A 373 10.752 -7.426 -4.819 1.00 0.00 N ATOM 116 CA LYS A 373 10.403 -8.730 -4.163 1.00 0.00 C ATOM 117 C LYS A 373 10.733 -8.686 -2.661 1.00 0.00 C ATOM 118 O LYS A 373 11.606 -9.393 -2.192 1.00 0.00 O ATOM 119 CB LYS A 373 11.252 -9.786 -4.880 1.00 0.00 C ATOM 120 CG LYS A 373 10.556 -10.208 -6.178 1.00 0.00 C ATOM 121 CD LYS A 373 10.854 -9.185 -7.277 1.00 0.00 C ATOM 122 CE LYS A 373 10.435 -9.756 -8.634 1.00 0.00 C ATOM 123 NZ LYS A 373 9.071 -9.212 -8.878 1.00 0.00 N ATOM 0 H LYS A 373 9.999 -7.003 -5.362 1.00 0.00 H new ATOM 0 HA LYS A 373 9.339 -8.952 -4.239 1.00 0.00 H new ATOM 0 HB2 LYS A 373 12.241 -9.384 -5.100 1.00 0.00 H new ATOM 0 HB3 LYS A 373 11.396 -10.652 -4.234 1.00 0.00 H new ATOM 0 HG2 LYS A 373 10.902 -11.196 -6.483 1.00 0.00 H new ATOM 0 HG3 LYS A 373 9.480 -10.282 -6.018 1.00 0.00 H new ATOM 0 HD2 LYS A 373 10.317 -8.257 -7.080 1.00 0.00 H new ATOM 0 HD3 LYS A 373 11.917 -8.943 -7.285 1.00 0.00 H new ATOM 0 HE2 LYS A 373 11.127 -9.453 -9.420 1.00 0.00 H new ATOM 0 HE3 LYS A 373 10.428 -10.846 -8.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 373 8.717 -9.560 -9.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 373 8.432 -9.522 -8.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 373 9.110 -8.173 -8.895 1.00 0.00 H new ATOM 137 N VAL A 374 10.044 -7.854 -1.904 1.00 0.00 N ATOM 138 CA VAL A 374 10.325 -7.762 -0.444 1.00 0.00 C ATOM 139 C VAL A 374 9.019 -7.543 0.342 1.00 0.00 C ATOM 140 O VAL A 374 8.017 -7.140 -0.220 1.00 0.00 O ATOM 141 CB VAL A 374 11.258 -6.553 -0.311 1.00 0.00 C ATOM 142 CG1 VAL A 374 10.554 -5.283 -0.800 1.00 0.00 C ATOM 143 CG2 VAL A 374 11.666 -6.378 1.154 1.00 0.00 C ATOM 0 H VAL A 374 9.303 -7.240 -2.242 1.00 0.00 H new ATOM 0 HA VAL A 374 10.773 -8.671 -0.043 1.00 0.00 H new ATOM 0 HB VAL A 374 12.145 -6.724 -0.921 1.00 0.00 H new ATOM 0 HG11 VAL A 374 11.228 -4.432 -0.700 1.00 0.00 H new ATOM 0 HG12 VAL A 374 10.273 -5.403 -1.846 1.00 0.00 H new ATOM 0 HG13 VAL A 374 9.659 -5.110 -0.202 1.00 0.00 H new ATOM 0 HG21 VAL A 374 12.329 -5.518 1.247 1.00 0.00 H new ATOM 0 HG22 VAL A 374 10.776 -6.217 1.763 1.00 0.00 H new ATOM 0 HG23 VAL A 374 12.183 -7.274 1.497 1.00 0.00 H new ATOM 153 N LYS A 375 9.025 -7.790 1.635 1.00 0.00 N ATOM 154 CA LYS A 375 7.773 -7.569 2.440 1.00 0.00 C ATOM 155 C LYS A 375 7.638 -6.069 2.777 1.00 0.00 C ATOM 156 O LYS A 375 8.038 -5.625 3.837 1.00 0.00 O ATOM 157 CB LYS A 375 7.910 -8.407 3.718 1.00 0.00 C ATOM 158 CG LYS A 375 7.469 -9.846 3.433 1.00 0.00 C ATOM 159 CD LYS A 375 5.944 -9.965 3.574 1.00 0.00 C ATOM 160 CE LYS A 375 5.596 -10.813 4.805 1.00 0.00 C ATOM 161 NZ LYS A 375 4.572 -10.022 5.546 1.00 0.00 N ATOM 0 H LYS A 375 9.829 -8.130 2.162 1.00 0.00 H new ATOM 0 HA LYS A 375 6.882 -7.867 1.888 1.00 0.00 H new ATOM 0 HB2 LYS A 375 8.943 -8.394 4.066 1.00 0.00 H new ATOM 0 HB3 LYS A 375 7.300 -7.979 4.514 1.00 0.00 H new ATOM 0 HG2 LYS A 375 7.773 -10.136 2.427 1.00 0.00 H new ATOM 0 HG3 LYS A 375 7.961 -10.530 4.125 1.00 0.00 H new ATOM 0 HD2 LYS A 375 5.501 -8.974 3.668 1.00 0.00 H new ATOM 0 HD3 LYS A 375 5.522 -10.420 2.678 1.00 0.00 H new ATOM 0 HE2 LYS A 375 5.206 -11.788 4.514 1.00 0.00 H new ATOM 0 HE3 LYS A 375 6.477 -10.993 5.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 375 4.285 -10.540 6.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 375 4.973 -9.102 5.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 375 3.742 -9.872 4.938 1.00 0.00 H new ATOM 175 N ARG A 376 7.072 -5.295 1.869 1.00 0.00 N ATOM 176 CA ARG A 376 6.915 -3.829 2.139 1.00 0.00 C ATOM 177 C ARG A 376 6.038 -3.624 3.379 1.00 0.00 C ATOM 178 O ARG A 376 5.164 -4.422 3.664 1.00 0.00 O ATOM 179 CB ARG A 376 6.283 -3.178 0.897 1.00 0.00 C ATOM 180 CG ARG A 376 7.331 -2.330 0.163 1.00 0.00 C ATOM 181 CD ARG A 376 7.815 -1.181 1.071 1.00 0.00 C ATOM 182 NE ARG A 376 9.122 -0.692 0.497 1.00 0.00 N ATOM 183 CZ ARG A 376 9.984 -0.008 1.237 1.00 0.00 C ATOM 184 NH1 ARG A 376 9.755 0.240 2.507 1.00 0.00 N ATOM 185 NH2 ARG A 376 11.089 0.440 0.694 1.00 0.00 N ATOM 0 H ARG A 376 6.718 -5.614 0.967 1.00 0.00 H new ATOM 0 HA ARG A 376 7.882 -3.366 2.335 1.00 0.00 H new ATOM 0 HB2 ARG A 376 5.893 -3.947 0.231 1.00 0.00 H new ATOM 0 HB3 ARG A 376 5.439 -2.554 1.192 1.00 0.00 H new ATOM 0 HG2 ARG A 376 8.176 -2.954 -0.128 1.00 0.00 H new ATOM 0 HG3 ARG A 376 6.904 -1.924 -0.754 1.00 0.00 H new ATOM 0 HD2 ARG A 376 7.081 -0.376 1.100 1.00 0.00 H new ATOM 0 HD3 ARG A 376 7.949 -1.528 2.096 1.00 0.00 H new ATOM 0 HE ARG A 376 9.347 -0.891 -0.478 1.00 0.00 H new ATOM 0 HH11 ARG A 376 8.898 -0.096 2.946 1.00 0.00 H new ATOM 0 HH12 ARG A 376 10.435 0.769 3.054 1.00 0.00 H new ATOM 0 HH21 ARG A 376 11.282 0.262 -0.292 1.00 0.00 H new ATOM 0 HH22 ARG A 376 11.757 0.967 1.257 1.00 0.00 H new ATOM 199 N THR A 377 6.271 -2.565 4.125 1.00 0.00 N ATOM 200 CA THR A 377 5.456 -2.326 5.353 1.00 0.00 C ATOM 201 C THR A 377 4.021 -2.002 4.934 1.00 0.00 C ATOM 202 O THR A 377 3.814 -1.310 3.961 1.00 0.00 O ATOM 203 CB THR A 377 6.139 -1.151 6.098 1.00 0.00 C ATOM 204 OG1 THR A 377 5.682 -1.110 7.442 1.00 0.00 O ATOM 205 CG2 THR A 377 5.840 0.191 5.411 1.00 0.00 C ATOM 0 H THR A 377 6.986 -1.863 3.934 1.00 0.00 H new ATOM 0 HA THR A 377 5.404 -3.193 6.012 1.00 0.00 H new ATOM 0 HB THR A 377 7.217 -1.313 6.077 1.00 0.00 H new ATOM 0 HG1 THR A 377 6.116 -0.368 7.913 1.00 0.00 H new ATOM 0 HG21 THR A 377 6.332 0.996 5.956 1.00 0.00 H new ATOM 0 HG22 THR A 377 6.212 0.166 4.387 1.00 0.00 H new ATOM 0 HG23 THR A 377 4.764 0.364 5.402 1.00 0.00 H new ATOM 213 N SER A 378 3.030 -2.488 5.648 1.00 0.00 N ATOM 214 CA SER A 378 1.611 -2.183 5.244 1.00 0.00 C ATOM 215 C SER A 378 1.431 -0.666 5.126 1.00 0.00 C ATOM 216 O SER A 378 2.194 0.087 5.703 1.00 0.00 O ATOM 217 CB SER A 378 0.697 -2.754 6.339 1.00 0.00 C ATOM 218 OG SER A 378 1.359 -2.673 7.593 1.00 0.00 O ATOM 0 H SER A 378 3.135 -3.072 6.478 1.00 0.00 H new ATOM 0 HA SER A 378 1.366 -2.627 4.279 1.00 0.00 H new ATOM 0 HB2 SER A 378 -0.240 -2.198 6.373 1.00 0.00 H new ATOM 0 HB3 SER A 378 0.445 -3.790 6.114 1.00 0.00 H new ATOM 0 HG SER A 378 0.778 -3.035 8.294 1.00 0.00 H new ATOM 224 N CYS A 379 0.439 -0.200 4.403 1.00 0.00 N ATOM 225 CA CYS A 379 0.241 1.289 4.283 1.00 0.00 C ATOM 226 C CYS A 379 -0.564 1.816 5.487 1.00 0.00 C ATOM 227 O CYS A 379 -1.313 1.082 6.104 1.00 0.00 O ATOM 228 CB CYS A 379 -0.536 1.496 2.971 1.00 0.00 C ATOM 229 SG CYS A 379 -0.829 3.257 2.679 1.00 0.00 S ATOM 0 H CYS A 379 -0.235 -0.773 3.896 1.00 0.00 H new ATOM 0 HA CYS A 379 1.187 1.830 4.274 1.00 0.00 H new ATOM 0 HB2 CYS A 379 0.025 1.072 2.138 1.00 0.00 H new ATOM 0 HB3 CYS A 379 -1.487 0.966 3.017 1.00 0.00 H new ATOM 234 N MET A 380 -0.409 3.080 5.828 1.00 0.00 N ATOM 235 CA MET A 380 -1.167 3.652 7.009 1.00 0.00 C ATOM 236 C MET A 380 -2.675 3.368 6.912 1.00 0.00 C ATOM 237 O MET A 380 -3.337 3.211 7.924 1.00 0.00 O ATOM 238 CB MET A 380 -0.923 5.162 6.984 1.00 0.00 C ATOM 239 CG MET A 380 0.547 5.424 7.284 1.00 0.00 C ATOM 240 SD MET A 380 0.744 7.091 7.959 1.00 0.00 S ATOM 241 CE MET A 380 0.238 7.990 6.474 1.00 0.00 C ATOM 0 H MET A 380 0.203 3.739 5.347 1.00 0.00 H new ATOM 0 HA MET A 380 -0.821 3.194 7.935 1.00 0.00 H new ATOM 0 HB2 MET A 380 -1.189 5.572 6.009 1.00 0.00 H new ATOM 0 HB3 MET A 380 -1.554 5.659 7.721 1.00 0.00 H new ATOM 0 HG2 MET A 380 0.920 4.687 7.995 1.00 0.00 H new ATOM 0 HG3 MET A 380 1.138 5.317 6.375 1.00 0.00 H new ATOM 0 HE1 MET A 380 1.055 8.630 6.140 1.00 0.00 H new ATOM 0 HE2 MET A 380 -0.012 7.280 5.686 1.00 0.00 H new ATOM 0 HE3 MET A 380 -0.634 8.603 6.700 1.00 0.00 H new ATOM 251 N TYR A 381 -3.226 3.282 5.720 1.00 0.00 N ATOM 252 CA TYR A 381 -4.680 2.987 5.602 1.00 0.00 C ATOM 253 C TYR A 381 -4.900 1.961 4.483 1.00 0.00 C ATOM 254 O TYR A 381 -5.861 2.054 3.756 1.00 0.00 O ATOM 255 CB TYR A 381 -5.361 4.309 5.230 1.00 0.00 C ATOM 256 CG TYR A 381 -4.917 5.452 6.125 1.00 0.00 C ATOM 257 CD1 TYR A 381 -3.714 6.151 5.836 1.00 0.00 C ATOM 258 CD2 TYR A 381 -5.735 5.866 7.214 1.00 0.00 C ATOM 259 CE1 TYR A 381 -3.328 7.260 6.631 1.00 0.00 C ATOM 260 CE2 TYR A 381 -5.341 6.976 8.013 1.00 0.00 C ATOM 261 CZ TYR A 381 -4.141 7.671 7.720 1.00 0.00 C ATOM 262 OH TYR A 381 -3.764 8.750 8.493 1.00 0.00 O ATOM 0 H TYR A 381 -2.731 3.403 4.836 1.00 0.00 H new ATOM 0 HA TYR A 381 -5.084 2.580 6.529 1.00 0.00 H new ATOM 0 HB2 TYR A 381 -5.135 4.553 4.192 1.00 0.00 H new ATOM 0 HB3 TYR A 381 -6.442 4.192 5.302 1.00 0.00 H new ATOM 0 HD1 TYR A 381 -3.093 5.837 5.010 1.00 0.00 H new ATOM 0 HD2 TYR A 381 -6.652 5.339 7.433 1.00 0.00 H new ATOM 0 HE1 TYR A 381 -2.415 7.792 6.408 1.00 0.00 H new ATOM 0 HE2 TYR A 381 -5.957 7.289 8.843 1.00 0.00 H new ATOM 0 HH TYR A 381 -4.446 9.451 8.431 1.00 0.00 H new ATOM 272 N GLY A 382 -4.005 0.998 4.322 1.00 0.00 N ATOM 273 CA GLY A 382 -4.141 -0.023 3.224 1.00 0.00 C ATOM 274 C GLY A 382 -5.592 -0.497 3.023 1.00 0.00 C ATOM 275 O GLY A 382 -6.066 -0.560 1.903 1.00 0.00 O ATOM 0 H GLY A 382 -3.181 0.879 4.912 1.00 0.00 H new ATOM 0 HA2 GLY A 382 -3.771 0.402 2.291 1.00 0.00 H new ATOM 0 HA3 GLY A 382 -3.512 -0.883 3.454 1.00 0.00 H new ATOM 279 N ALA A 383 -6.300 -0.830 4.077 1.00 0.00 N ATOM 280 CA ALA A 383 -7.721 -1.300 3.887 1.00 0.00 C ATOM 281 C ALA A 383 -8.570 -0.220 3.190 1.00 0.00 C ATOM 282 O ALA A 383 -9.534 -0.538 2.516 1.00 0.00 O ATOM 283 CB ALA A 383 -8.284 -1.599 5.285 1.00 0.00 C ATOM 0 H ALA A 383 -5.970 -0.800 5.042 1.00 0.00 H new ATOM 0 HA ALA A 383 -7.747 -2.187 3.254 1.00 0.00 H new ATOM 0 HB1 ALA A 383 -9.314 -1.944 5.196 1.00 0.00 H new ATOM 0 HB2 ALA A 383 -7.682 -2.373 5.762 1.00 0.00 H new ATOM 0 HB3 ALA A 383 -8.255 -0.693 5.890 1.00 0.00 H new ATOM 289 N ASN A 384 -8.245 1.050 3.349 1.00 0.00 N ATOM 290 CA ASN A 384 -9.069 2.119 2.695 1.00 0.00 C ATOM 291 C ASN A 384 -8.168 3.206 2.063 1.00 0.00 C ATOM 292 O ASN A 384 -8.566 4.347 1.973 1.00 0.00 O ATOM 293 CB ASN A 384 -9.897 2.727 3.843 1.00 0.00 C ATOM 294 CG ASN A 384 -10.640 1.623 4.619 1.00 0.00 C ATOM 295 OD1 ASN A 384 -10.001 0.910 5.520 1.00 0.00 O flip ATOM 296 ND2 ASN A 384 -11.816 1.405 4.403 1.00 0.00 N flip ATOM 0 H ASN A 384 -7.453 1.385 3.898 1.00 0.00 H new ATOM 0 HA ASN A 384 -9.687 1.719 1.891 1.00 0.00 H new ATOM 0 HB2 ASN A 384 -9.242 3.277 4.519 1.00 0.00 H new ATOM 0 HB3 ASN A 384 -10.614 3.443 3.442 1.00 0.00 H new ATOM 0 HD21 ASN A 384 -12.317 1.955 3.705 1.00 0.00 H new ATOM 0 HD22 ASN A 384 -12.302 0.672 4.920 1.00 0.00 H new ATOM 303 N CYS A 385 -6.960 2.870 1.636 1.00 0.00 N ATOM 304 CA CYS A 385 -6.039 3.918 1.037 1.00 0.00 C ATOM 305 C CYS A 385 -6.770 4.791 -0.012 1.00 0.00 C ATOM 306 O CYS A 385 -7.540 4.294 -0.809 1.00 0.00 O ATOM 307 CB CYS A 385 -4.882 3.151 0.365 1.00 0.00 C ATOM 308 SG CYS A 385 -3.498 4.279 0.035 1.00 0.00 S ATOM 0 H CYS A 385 -6.573 1.927 1.674 1.00 0.00 H new ATOM 0 HA CYS A 385 -5.683 4.593 1.815 1.00 0.00 H new ATOM 0 HB2 CYS A 385 -4.552 2.336 1.010 1.00 0.00 H new ATOM 0 HB3 CYS A 385 -5.226 2.701 -0.567 1.00 0.00 H new ATOM 313 N TYR A 386 -6.504 6.086 -0.033 1.00 0.00 N ATOM 314 CA TYR A 386 -7.156 6.975 -1.054 1.00 0.00 C ATOM 315 C TYR A 386 -6.106 7.524 -2.050 1.00 0.00 C ATOM 316 O TYR A 386 -6.371 7.602 -3.234 1.00 0.00 O ATOM 317 CB TYR A 386 -7.895 8.099 -0.279 1.00 0.00 C ATOM 318 CG TYR A 386 -6.959 9.197 0.201 1.00 0.00 C ATOM 319 CD1 TYR A 386 -6.438 10.149 -0.717 1.00 0.00 C ATOM 320 CD2 TYR A 386 -6.612 9.277 1.574 1.00 0.00 C ATOM 321 CE1 TYR A 386 -5.571 11.175 -0.259 1.00 0.00 C ATOM 322 CE2 TYR A 386 -5.741 10.302 2.040 1.00 0.00 C ATOM 323 CZ TYR A 386 -5.222 11.254 1.116 1.00 0.00 C ATOM 324 OH TYR A 386 -4.385 12.257 1.546 1.00 0.00 O ATOM 0 H TYR A 386 -5.868 6.559 0.609 1.00 0.00 H new ATOM 0 HA TYR A 386 -7.876 6.424 -1.659 1.00 0.00 H new ATOM 0 HB2 TYR A 386 -8.660 8.535 -0.922 1.00 0.00 H new ATOM 0 HB3 TYR A 386 -8.409 7.665 0.579 1.00 0.00 H new ATOM 0 HD1 TYR A 386 -6.702 10.092 -1.763 1.00 0.00 H new ATOM 0 HD2 TYR A 386 -7.011 8.555 2.271 1.00 0.00 H new ATOM 0 HE1 TYR A 386 -5.175 11.898 -0.957 1.00 0.00 H new ATOM 0 HE2 TYR A 386 -5.476 10.357 3.085 1.00 0.00 H new ATOM 0 HH TYR A 386 -4.848 12.806 2.213 1.00 0.00 H new ATOM 334 N ARG A 387 -4.920 7.894 -1.593 1.00 0.00 N ATOM 335 CA ARG A 387 -3.884 8.414 -2.553 1.00 0.00 C ATOM 336 C ARG A 387 -3.388 7.266 -3.450 1.00 0.00 C ATOM 337 O ARG A 387 -3.470 6.112 -3.075 1.00 0.00 O ATOM 338 CB ARG A 387 -2.726 8.997 -1.706 1.00 0.00 C ATOM 339 CG ARG A 387 -2.023 7.893 -0.898 1.00 0.00 C ATOM 340 CD ARG A 387 -0.715 8.449 -0.310 1.00 0.00 C ATOM 341 NE ARG A 387 0.145 8.852 -1.482 1.00 0.00 N ATOM 342 CZ ARG A 387 1.069 9.797 -1.364 1.00 0.00 C ATOM 343 NH1 ARG A 387 1.295 10.403 -0.220 1.00 0.00 N ATOM 344 NH2 ARG A 387 1.789 10.129 -2.405 1.00 0.00 N ATOM 0 H ARG A 387 -4.632 7.858 -0.615 1.00 0.00 H new ATOM 0 HA ARG A 387 -4.296 9.186 -3.203 1.00 0.00 H new ATOM 0 HB2 ARG A 387 -2.005 9.489 -2.359 1.00 0.00 H new ATOM 0 HB3 ARG A 387 -3.114 9.758 -1.028 1.00 0.00 H new ATOM 0 HG2 ARG A 387 -2.674 7.541 -0.098 1.00 0.00 H new ATOM 0 HG3 ARG A 387 -1.812 7.036 -1.538 1.00 0.00 H new ATOM 0 HD2 ARG A 387 -0.913 9.303 0.337 1.00 0.00 H new ATOM 0 HD3 ARG A 387 -0.213 7.697 0.299 1.00 0.00 H new ATOM 0 HE ARG A 387 0.014 8.390 -2.382 1.00 0.00 H new ATOM 0 HH11 ARG A 387 0.754 10.150 0.607 1.00 0.00 H new ATOM 0 HH12 ARG A 387 2.012 11.126 -0.159 1.00 0.00 H new ATOM 0 HH21 ARG A 387 1.638 9.662 -3.299 1.00 0.00 H new ATOM 0 HH22 ARG A 387 2.501 10.855 -2.322 1.00 0.00 H new ATOM 358 N LYS A 388 -2.883 7.565 -4.629 1.00 0.00 N ATOM 359 CA LYS A 388 -2.398 6.473 -5.531 1.00 0.00 C ATOM 360 C LYS A 388 -1.252 6.972 -6.429 1.00 0.00 C ATOM 361 O LYS A 388 -1.484 7.580 -7.457 1.00 0.00 O ATOM 362 CB LYS A 388 -3.618 6.079 -6.377 1.00 0.00 C ATOM 363 CG LYS A 388 -4.166 7.303 -7.133 1.00 0.00 C ATOM 364 CD LYS A 388 -5.604 7.594 -6.696 1.00 0.00 C ATOM 365 CE LYS A 388 -6.394 8.142 -7.887 1.00 0.00 C ATOM 366 NZ LYS A 388 -7.623 8.736 -7.294 1.00 0.00 N ATOM 0 H LYS A 388 -2.788 8.510 -5.000 1.00 0.00 H new ATOM 0 HA LYS A 388 -2.002 5.628 -4.967 1.00 0.00 H new ATOM 0 HB2 LYS A 388 -3.340 5.300 -7.087 1.00 0.00 H new ATOM 0 HB3 LYS A 388 -4.394 5.663 -5.735 1.00 0.00 H new ATOM 0 HG2 LYS A 388 -3.536 8.171 -6.939 1.00 0.00 H new ATOM 0 HG3 LYS A 388 -4.135 7.120 -8.207 1.00 0.00 H new ATOM 0 HD2 LYS A 388 -6.073 6.684 -6.321 1.00 0.00 H new ATOM 0 HD3 LYS A 388 -5.609 8.315 -5.879 1.00 0.00 H new ATOM 0 HE2 LYS A 388 -5.818 8.890 -8.432 1.00 0.00 H new ATOM 0 HE3 LYS A 388 -6.640 7.351 -8.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 -8.216 9.133 -8.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 -8.155 8.000 -6.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 -7.358 9.491 -6.630 1.00 0.00 H new ATOM 380 N ASN A 389 -0.012 6.724 -6.058 1.00 0.00 N ATOM 381 CA ASN A 389 1.128 7.194 -6.906 1.00 0.00 C ATOM 382 C ASN A 389 1.885 5.998 -7.500 1.00 0.00 C ATOM 383 O ASN A 389 1.669 4.874 -7.094 1.00 0.00 O ATOM 384 CB ASN A 389 2.046 7.965 -5.954 1.00 0.00 C ATOM 385 CG ASN A 389 1.692 9.456 -5.974 1.00 0.00 C ATOM 386 OD1 ASN A 389 0.578 9.823 -6.290 1.00 0.00 O ATOM 387 ND2 ASN A 389 2.600 10.345 -5.641 1.00 0.00 N ATOM 0 H ASN A 389 0.254 6.221 -5.212 1.00 0.00 H new ATOM 0 HA ASN A 389 0.784 7.807 -7.739 1.00 0.00 H new ATOM 0 HB2 ASN A 389 1.945 7.573 -4.942 1.00 0.00 H new ATOM 0 HB3 ASN A 389 3.087 7.826 -6.248 1.00 0.00 H new ATOM 0 HD21 ASN A 389 2.368 11.338 -5.649 1.00 0.00 H new ATOM 0 HD22 ASN A 389 3.537 10.042 -5.375 1.00 0.00 H new ATOM 394 N PRO A 390 2.768 6.276 -8.434 1.00 0.00 N ATOM 395 CA PRO A 390 3.566 5.192 -9.054 1.00 0.00 C ATOM 396 C PRO A 390 4.677 4.716 -8.086 1.00 0.00 C ATOM 397 O PRO A 390 5.114 3.593 -8.164 1.00 0.00 O ATOM 398 CB PRO A 390 4.170 5.849 -10.294 1.00 0.00 C ATOM 399 CG PRO A 390 4.209 7.311 -9.987 1.00 0.00 C ATOM 400 CD PRO A 390 3.109 7.597 -8.994 1.00 0.00 C ATOM 0 HA PRO A 390 2.973 4.310 -9.294 1.00 0.00 H new ATOM 0 HB2 PRO A 390 5.169 5.463 -10.496 1.00 0.00 H new ATOM 0 HB3 PRO A 390 3.566 5.649 -11.179 1.00 0.00 H new ATOM 0 HG2 PRO A 390 5.179 7.590 -9.575 1.00 0.00 H new ATOM 0 HG3 PRO A 390 4.067 7.897 -10.895 1.00 0.00 H new ATOM 0 HD2 PRO A 390 3.444 8.284 -8.217 1.00 0.00 H new ATOM 0 HD3 PRO A 390 2.248 8.058 -9.477 1.00 0.00 H new ATOM 408 N VAL A 391 5.125 5.562 -7.173 1.00 0.00 N ATOM 409 CA VAL A 391 6.190 5.148 -6.193 1.00 0.00 C ATOM 410 C VAL A 391 5.599 4.793 -4.802 1.00 0.00 C ATOM 411 O VAL A 391 6.222 4.080 -4.041 1.00 0.00 O ATOM 412 CB VAL A 391 7.137 6.349 -6.080 1.00 0.00 C ATOM 413 CG1 VAL A 391 8.282 6.018 -5.116 1.00 0.00 C ATOM 414 CG2 VAL A 391 7.713 6.683 -7.460 1.00 0.00 C ATOM 0 H VAL A 391 4.796 6.522 -7.067 1.00 0.00 H new ATOM 0 HA VAL A 391 6.700 4.249 -6.538 1.00 0.00 H new ATOM 0 HB VAL A 391 6.582 7.207 -5.701 1.00 0.00 H new ATOM 0 HG11 VAL A 391 8.952 6.874 -5.039 1.00 0.00 H new ATOM 0 HG12 VAL A 391 7.874 5.787 -4.132 1.00 0.00 H new ATOM 0 HG13 VAL A 391 8.835 5.157 -5.490 1.00 0.00 H new ATOM 0 HG21 VAL A 391 8.385 7.537 -7.377 1.00 0.00 H new ATOM 0 HG22 VAL A 391 8.264 5.823 -7.842 1.00 0.00 H new ATOM 0 HG23 VAL A 391 6.900 6.927 -8.144 1.00 0.00 H new ATOM 424 N HIS A 392 4.424 5.290 -4.448 1.00 0.00 N ATOM 425 CA HIS A 392 3.841 4.975 -3.086 1.00 0.00 C ATOM 426 C HIS A 392 3.583 3.467 -2.961 1.00 0.00 C ATOM 427 O HIS A 392 3.821 2.887 -1.917 1.00 0.00 O ATOM 428 CB HIS A 392 2.530 5.788 -2.995 1.00 0.00 C ATOM 429 CG HIS A 392 1.698 5.372 -1.807 1.00 0.00 C ATOM 430 ND1 HIS A 392 1.780 6.013 -0.582 1.00 0.00 N ATOM 431 CD2 HIS A 392 0.738 4.404 -1.663 1.00 0.00 C ATOM 432 CE1 HIS A 392 0.885 5.433 0.239 1.00 0.00 C ATOM 433 NE2 HIS A 392 0.220 4.447 -0.371 1.00 0.00 N ATOM 0 H HIS A 392 3.849 5.894 -5.035 1.00 0.00 H new ATOM 0 HA HIS A 392 4.517 5.241 -2.273 1.00 0.00 H new ATOM 0 HB2 HIS A 392 2.764 6.850 -2.921 1.00 0.00 H new ATOM 0 HB3 HIS A 392 1.953 5.652 -3.909 1.00 0.00 H new ATOM 0 HD1 HIS A 392 2.405 6.784 -0.345 1.00 0.00 H new ATOM 0 HD2 HIS A 392 0.430 3.713 -2.434 1.00 0.00 H new ATOM 0 HE1 HIS A 392 0.724 5.728 1.265 1.00 0.00 H new ATOM 441 N PHE A 393 3.131 2.815 -4.017 1.00 0.00 N ATOM 442 CA PHE A 393 2.914 1.326 -3.924 1.00 0.00 C ATOM 443 C PHE A 393 4.232 0.655 -3.496 1.00 0.00 C ATOM 444 O PHE A 393 4.225 -0.347 -2.806 1.00 0.00 O ATOM 445 CB PHE A 393 2.504 0.844 -5.323 1.00 0.00 C ATOM 446 CG PHE A 393 1.016 1.008 -5.504 1.00 0.00 C ATOM 447 CD1 PHE A 393 0.112 0.254 -4.708 1.00 0.00 C ATOM 448 CD2 PHE A 393 0.521 1.917 -6.476 1.00 0.00 C ATOM 449 CE1 PHE A 393 -1.289 0.411 -4.886 1.00 0.00 C ATOM 450 CE2 PHE A 393 -0.879 2.075 -6.653 1.00 0.00 C ATOM 451 CZ PHE A 393 -1.785 1.321 -5.858 1.00 0.00 C ATOM 0 H PHE A 393 2.908 3.237 -4.918 1.00 0.00 H new ATOM 0 HA PHE A 393 2.144 1.076 -3.194 1.00 0.00 H new ATOM 0 HB2 PHE A 393 3.037 1.413 -6.084 1.00 0.00 H new ATOM 0 HB3 PHE A 393 2.782 -0.202 -5.453 1.00 0.00 H new ATOM 0 HD1 PHE A 393 0.489 -0.437 -3.969 1.00 0.00 H new ATOM 0 HD2 PHE A 393 1.210 2.488 -7.081 1.00 0.00 H new ATOM 0 HE1 PHE A 393 -1.977 -0.162 -4.282 1.00 0.00 H new ATOM 0 HE2 PHE A 393 -1.255 2.768 -7.391 1.00 0.00 H new ATOM 0 HZ PHE A 393 -2.850 1.440 -5.993 1.00 0.00 H new ATOM 461 N GLN A 394 5.369 1.210 -3.892 1.00 0.00 N ATOM 462 CA GLN A 394 6.677 0.588 -3.482 1.00 0.00 C ATOM 463 C GLN A 394 7.037 1.009 -2.050 1.00 0.00 C ATOM 464 O GLN A 394 7.644 0.251 -1.327 1.00 0.00 O ATOM 465 CB GLN A 394 7.756 1.095 -4.453 1.00 0.00 C ATOM 466 CG GLN A 394 7.542 0.485 -5.842 1.00 0.00 C ATOM 467 CD GLN A 394 6.838 1.504 -6.737 1.00 0.00 C ATOM 468 OE1 GLN A 394 7.482 2.345 -7.334 1.00 0.00 O ATOM 469 NE2 GLN A 394 5.539 1.465 -6.867 1.00 0.00 N ATOM 0 H GLN A 394 5.443 2.048 -4.469 1.00 0.00 H new ATOM 0 HA GLN A 394 6.605 -0.499 -3.513 1.00 0.00 H new ATOM 0 HB2 GLN A 394 7.718 2.183 -4.515 1.00 0.00 H new ATOM 0 HB3 GLN A 394 8.745 0.831 -4.080 1.00 0.00 H new ATOM 0 HG2 GLN A 394 8.499 0.200 -6.278 1.00 0.00 H new ATOM 0 HG3 GLN A 394 6.944 -0.423 -5.765 1.00 0.00 H new ATOM 0 HE21 GLN A 394 4.997 0.760 -6.367 1.00 0.00 H new ATOM 0 HE22 GLN A 394 5.066 2.139 -7.469 1.00 0.00 H new ATOM 478 N HIS A 395 6.674 2.208 -1.630 1.00 0.00 N ATOM 479 CA HIS A 395 7.021 2.640 -0.226 1.00 0.00 C ATOM 480 C HIS A 395 6.148 1.908 0.808 1.00 0.00 C ATOM 481 O HIS A 395 6.579 1.677 1.922 1.00 0.00 O ATOM 482 CB HIS A 395 6.762 4.152 -0.157 1.00 0.00 C ATOM 483 CG HIS A 395 7.878 4.884 -0.846 1.00 0.00 C ATOM 484 ND1 HIS A 395 8.205 6.192 -0.531 1.00 0.00 N ATOM 485 CD2 HIS A 395 8.751 4.505 -1.834 1.00 0.00 C ATOM 486 CE1 HIS A 395 9.237 6.552 -1.315 1.00 0.00 C ATOM 487 NE2 HIS A 395 9.609 5.561 -2.129 1.00 0.00 N ATOM 0 H HIS A 395 6.163 2.894 -2.186 1.00 0.00 H new ATOM 0 HA HIS A 395 8.059 2.401 0.003 1.00 0.00 H new ATOM 0 HB2 HIS A 395 5.810 4.390 -0.631 1.00 0.00 H new ATOM 0 HB3 HIS A 395 6.690 4.472 0.882 1.00 0.00 H new ATOM 0 HD2 HIS A 395 8.770 3.536 -2.310 1.00 0.00 H new ATOM 0 HE1 HIS A 395 9.707 7.524 -1.289 1.00 0.00 H new ATOM 0 HE2 HIS A 395 10.360 5.575 -2.819 1.00 0.00 H new ATOM 496 N PHE A 396 4.923 1.551 0.469 1.00 0.00 N ATOM 497 CA PHE A 396 4.045 0.853 1.466 1.00 0.00 C ATOM 498 C PHE A 396 3.277 -0.296 0.796 1.00 0.00 C ATOM 499 O PHE A 396 2.929 -0.217 -0.368 1.00 0.00 O ATOM 500 CB PHE A 396 3.056 1.921 1.959 1.00 0.00 C ATOM 501 CG PHE A 396 3.792 3.171 2.398 1.00 0.00 C ATOM 502 CD1 PHE A 396 4.333 3.259 3.707 1.00 0.00 C ATOM 503 CD2 PHE A 396 3.939 4.256 1.492 1.00 0.00 C ATOM 504 CE1 PHE A 396 5.024 4.434 4.112 1.00 0.00 C ATOM 505 CE2 PHE A 396 4.628 5.431 1.896 1.00 0.00 C ATOM 506 CZ PHE A 396 5.171 5.520 3.206 1.00 0.00 C ATOM 0 H PHE A 396 4.501 1.712 -0.445 1.00 0.00 H new ATOM 0 HA PHE A 396 4.628 0.423 2.280 1.00 0.00 H new ATOM 0 HB2 PHE A 396 2.353 2.168 1.163 1.00 0.00 H new ATOM 0 HB3 PHE A 396 2.471 1.526 2.790 1.00 0.00 H new ATOM 0 HD1 PHE A 396 4.220 2.434 4.395 1.00 0.00 H new ATOM 0 HD2 PHE A 396 3.527 4.187 0.496 1.00 0.00 H new ATOM 0 HE1 PHE A 396 5.437 4.502 5.108 1.00 0.00 H new ATOM 0 HE2 PHE A 396 4.739 6.256 1.208 1.00 0.00 H new ATOM 0 HZ PHE A 396 5.695 6.413 3.514 1.00 0.00 H new ATOM 516 N SER A 397 2.999 -1.355 1.526 1.00 0.00 N ATOM 517 CA SER A 397 2.242 -2.499 0.933 1.00 0.00 C ATOM 518 C SER A 397 0.732 -2.302 1.131 1.00 0.00 C ATOM 519 O SER A 397 0.305 -1.381 1.802 1.00 0.00 O ATOM 520 CB SER A 397 2.723 -3.763 1.653 1.00 0.00 C ATOM 521 OG SER A 397 3.879 -4.271 0.998 1.00 0.00 O ATOM 0 H SER A 397 3.265 -1.472 2.504 1.00 0.00 H new ATOM 0 HA SER A 397 2.418 -2.573 -0.140 1.00 0.00 H new ATOM 0 HB2 SER A 397 2.952 -3.536 2.694 1.00 0.00 H new ATOM 0 HB3 SER A 397 1.934 -4.515 1.657 1.00 0.00 H new ATOM 0 HG SER A 397 4.271 -4.989 1.537 1.00 0.00 H new ATOM 527 N HIS A 398 -0.078 -3.147 0.527 1.00 0.00 N ATOM 528 CA HIS A 398 -1.549 -2.980 0.662 1.00 0.00 C ATOM 529 C HIS A 398 -2.243 -4.338 0.760 1.00 0.00 C ATOM 530 O HIS A 398 -1.769 -5.308 0.200 1.00 0.00 O ATOM 531 CB HIS A 398 -1.970 -2.250 -0.617 1.00 0.00 C ATOM 532 CG HIS A 398 -1.446 -0.834 -0.595 1.00 0.00 C ATOM 533 ND1 HIS A 398 -0.310 -0.448 -1.294 1.00 0.00 N ATOM 534 CD2 HIS A 398 -1.900 0.299 0.032 1.00 0.00 C ATOM 535 CE1 HIS A 398 -0.124 0.869 -1.071 1.00 0.00 C ATOM 536 NE2 HIS A 398 -1.068 1.372 -0.268 1.00 0.00 N ATOM 0 H HIS A 398 0.221 -3.935 -0.047 1.00 0.00 H new ATOM 0 HA HIS A 398 -1.822 -2.431 1.564 1.00 0.00 H new ATOM 0 HB2 HIS A 398 -1.585 -2.776 -1.490 1.00 0.00 H new ATOM 0 HB3 HIS A 398 -3.057 -2.244 -0.702 1.00 0.00 H new ATOM 0 HD1 HIS A 398 0.277 -1.051 -1.871 1.00 0.00 H new ATOM 0 HD2 HIS A 398 -2.774 0.350 0.665 1.00 0.00 H new ATOM 0 HE1 HIS A 398 0.687 1.446 -1.489 1.00 0.00 H new ATOM 544 N PRO A 399 -3.373 -4.374 1.443 1.00 0.00 N ATOM 545 CA PRO A 399 -4.128 -5.643 1.558 1.00 0.00 C ATOM 546 C PRO A 399 -4.543 -6.062 0.143 1.00 0.00 C ATOM 547 O PRO A 399 -4.891 -5.220 -0.668 1.00 0.00 O ATOM 548 CB PRO A 399 -5.315 -5.278 2.459 1.00 0.00 C ATOM 549 CG PRO A 399 -5.456 -3.801 2.303 1.00 0.00 C ATOM 550 CD PRO A 399 -4.056 -3.274 2.139 1.00 0.00 C ATOM 0 HA PRO A 399 -3.580 -6.485 1.982 1.00 0.00 H new ATOM 0 HB2 PRO A 399 -6.222 -5.799 2.152 1.00 0.00 H new ATOM 0 HB3 PRO A 399 -5.126 -5.552 3.497 1.00 0.00 H new ATOM 0 HG2 PRO A 399 -6.071 -3.556 1.437 1.00 0.00 H new ATOM 0 HG3 PRO A 399 -5.941 -3.360 3.174 1.00 0.00 H new ATOM 0 HD2 PRO A 399 -4.036 -2.353 1.557 1.00 0.00 H new ATOM 0 HD3 PRO A 399 -3.592 -3.053 3.100 1.00 0.00 H new ATOM 558 N GLY A 400 -4.470 -7.329 -0.188 1.00 0.00 N ATOM 559 CA GLY A 400 -4.811 -7.741 -1.575 1.00 0.00 C ATOM 560 C GLY A 400 -3.518 -7.914 -2.416 1.00 0.00 C ATOM 561 O GLY A 400 -3.594 -8.283 -3.575 1.00 0.00 O ATOM 0 H GLY A 400 -4.192 -8.084 0.439 1.00 0.00 H new ATOM 0 HA2 GLY A 400 -5.370 -8.677 -1.557 1.00 0.00 H new ATOM 0 HA3 GLY A 400 -5.456 -6.993 -2.036 1.00 0.00 H new ATOM 565 N ASP A 401 -2.329 -7.703 -1.846 1.00 0.00 N ATOM 566 CA ASP A 401 -1.081 -7.915 -2.624 1.00 0.00 C ATOM 567 C ASP A 401 -0.320 -9.080 -1.986 1.00 0.00 C ATOM 568 O ASP A 401 -0.632 -9.477 -0.878 1.00 0.00 O ATOM 569 CB ASP A 401 -0.293 -6.609 -2.506 1.00 0.00 C ATOM 570 CG ASP A 401 -0.873 -5.572 -3.469 1.00 0.00 C ATOM 571 OD1 ASP A 401 -2.005 -5.164 -3.263 1.00 0.00 O ATOM 572 OD2 ASP A 401 -0.175 -5.203 -4.400 1.00 0.00 O ATOM 0 H ASP A 401 -2.192 -7.396 -0.883 1.00 0.00 H new ATOM 0 HA ASP A 401 -1.258 -8.157 -3.672 1.00 0.00 H new ATOM 0 HB2 ASP A 401 -0.339 -6.236 -1.483 1.00 0.00 H new ATOM 0 HB3 ASP A 401 0.758 -6.785 -2.734 1.00 0.00 H new ATOM 577 N SER A 402 0.655 -9.642 -2.658 1.00 0.00 N ATOM 578 CA SER A 402 1.397 -10.799 -2.042 1.00 0.00 C ATOM 579 C SER A 402 2.285 -10.344 -0.872 1.00 0.00 C ATOM 580 O SER A 402 2.610 -11.142 -0.010 1.00 0.00 O ATOM 581 CB SER A 402 2.268 -11.407 -3.145 1.00 0.00 C ATOM 582 OG SER A 402 2.608 -10.397 -4.085 1.00 0.00 O ATOM 0 H SER A 402 0.968 -9.361 -3.587 1.00 0.00 H new ATOM 0 HA SER A 402 0.687 -11.523 -1.642 1.00 0.00 H new ATOM 0 HB2 SER A 402 3.172 -11.838 -2.714 1.00 0.00 H new ATOM 0 HB3 SER A 402 1.734 -12.217 -3.641 1.00 0.00 H new ATOM 0 HG SER A 402 3.167 -10.783 -4.792 1.00 0.00 H new ATOM 588 N ASP A 403 2.721 -9.099 -0.833 1.00 0.00 N ATOM 589 CA ASP A 403 3.629 -8.673 0.289 1.00 0.00 C ATOM 590 C ASP A 403 2.893 -7.922 1.409 1.00 0.00 C ATOM 591 O ASP A 403 3.544 -7.378 2.280 1.00 0.00 O ATOM 592 CB ASP A 403 4.667 -7.745 -0.355 1.00 0.00 C ATOM 593 CG ASP A 403 5.437 -8.515 -1.427 1.00 0.00 C ATOM 594 OD1 ASP A 403 6.379 -9.203 -1.071 1.00 0.00 O ATOM 595 OD2 ASP A 403 5.073 -8.404 -2.586 1.00 0.00 O ATOM 0 H ASP A 403 2.493 -8.375 -1.514 1.00 0.00 H new ATOM 0 HA ASP A 403 4.069 -9.551 0.762 1.00 0.00 H new ATOM 0 HB2 ASP A 403 4.173 -6.879 -0.797 1.00 0.00 H new ATOM 0 HB3 ASP A 403 5.354 -7.368 0.402 1.00 0.00 H new ATOM 600 N TYR A 404 1.565 -7.855 1.411 1.00 0.00 N ATOM 601 CA TYR A 404 0.854 -7.099 2.516 1.00 0.00 C ATOM 602 C TYR A 404 1.422 -7.490 3.895 1.00 0.00 C ATOM 603 O TYR A 404 1.565 -8.659 4.202 1.00 0.00 O ATOM 604 CB TYR A 404 -0.636 -7.475 2.437 1.00 0.00 C ATOM 605 CG TYR A 404 -1.415 -6.656 3.449 1.00 0.00 C ATOM 606 CD1 TYR A 404 -1.230 -5.244 3.528 1.00 0.00 C ATOM 607 CD2 TYR A 404 -2.329 -7.298 4.326 1.00 0.00 C ATOM 608 CE1 TYR A 404 -1.961 -4.483 4.480 1.00 0.00 C ATOM 609 CE2 TYR A 404 -3.059 -6.536 5.278 1.00 0.00 C ATOM 610 CZ TYR A 404 -2.876 -5.130 5.355 1.00 0.00 C ATOM 611 OH TYR A 404 -3.587 -4.391 6.279 1.00 0.00 O ATOM 0 H TYR A 404 0.957 -8.281 0.712 1.00 0.00 H new ATOM 0 HA TYR A 404 0.995 -6.025 2.393 1.00 0.00 H new ATOM 0 HB2 TYR A 404 -1.017 -7.290 1.432 1.00 0.00 H new ATOM 0 HB3 TYR A 404 -0.765 -8.539 2.636 1.00 0.00 H new ATOM 0 HD1 TYR A 404 -0.534 -4.753 2.864 1.00 0.00 H new ATOM 0 HD2 TYR A 404 -2.470 -8.367 4.269 1.00 0.00 H new ATOM 0 HE1 TYR A 404 -1.822 -3.414 4.539 1.00 0.00 H new ATOM 0 HE2 TYR A 404 -3.754 -7.027 5.944 1.00 0.00 H new ATOM 0 HH TYR A 404 -3.258 -4.590 7.180 1.00 0.00 H new ATOM 621 N GLY A 405 1.763 -6.519 4.711 1.00 0.00 N ATOM 622 CA GLY A 405 2.340 -6.830 6.053 1.00 0.00 C ATOM 623 C GLY A 405 1.258 -7.365 6.998 1.00 0.00 C ATOM 624 O GLY A 405 1.532 -8.206 7.837 1.00 0.00 O ATOM 0 H GLY A 405 1.665 -5.525 4.503 1.00 0.00 H new ATOM 0 HA2 GLY A 405 3.136 -7.567 5.950 1.00 0.00 H new ATOM 0 HA3 GLY A 405 2.789 -5.932 6.478 1.00 0.00 H new ATOM 628 N GLY A 406 0.037 -6.888 6.887 1.00 0.00 N ATOM 629 CA GLY A 406 -1.034 -7.352 7.776 1.00 0.00 C ATOM 630 C GLY A 406 -1.460 -6.151 8.617 1.00 0.00 C ATOM 631 O GLY A 406 -1.866 -5.131 8.094 1.00 0.00 O ATOM 0 H GLY A 406 -0.248 -6.188 6.203 1.00 0.00 H new ATOM 0 HA2 GLY A 406 -1.875 -7.738 7.200 1.00 0.00 H new ATOM 0 HA3 GLY A 406 -0.684 -8.165 8.412 1.00 0.00 H new ATOM 635 N VAL A 407 -1.373 -6.269 9.905 1.00 0.00 N ATOM 636 CA VAL A 407 -1.771 -5.140 10.796 1.00 0.00 C ATOM 637 C VAL A 407 -0.730 -4.971 11.911 1.00 0.00 C ATOM 638 O VAL A 407 -0.742 -5.692 12.893 1.00 0.00 O ATOM 639 CB VAL A 407 -3.136 -5.544 11.357 1.00 0.00 C ATOM 640 CG1 VAL A 407 -3.634 -4.470 12.327 1.00 0.00 C ATOM 641 CG2 VAL A 407 -4.135 -5.682 10.202 1.00 0.00 C ATOM 0 H VAL A 407 -1.041 -7.103 10.389 1.00 0.00 H new ATOM 0 HA VAL A 407 -1.827 -4.184 10.275 1.00 0.00 H new ATOM 0 HB VAL A 407 -3.044 -6.494 11.884 1.00 0.00 H new ATOM 0 HG11 VAL A 407 -4.606 -4.761 12.724 1.00 0.00 H new ATOM 0 HG12 VAL A 407 -2.924 -4.363 13.147 1.00 0.00 H new ATOM 0 HG13 VAL A 407 -3.727 -3.520 11.801 1.00 0.00 H new ATOM 0 HG21 VAL A 407 -5.110 -5.970 10.596 1.00 0.00 H new ATOM 0 HG22 VAL A 407 -4.222 -4.729 9.680 1.00 0.00 H new ATOM 0 HG23 VAL A 407 -3.785 -6.445 9.507 1.00 0.00 H new ATOM 651 N GLN A 408 0.180 -4.028 11.765 1.00 0.00 N ATOM 652 CA GLN A 408 1.225 -3.824 12.818 1.00 0.00 C ATOM 653 C GLN A 408 0.996 -2.498 13.557 1.00 0.00 C ATOM 654 O GLN A 408 1.914 -1.721 13.737 1.00 0.00 O ATOM 655 CB GLN A 408 2.556 -3.796 12.061 1.00 0.00 C ATOM 656 CG GLN A 408 2.928 -5.217 11.627 1.00 0.00 C ATOM 657 CD GLN A 408 2.132 -5.597 10.374 1.00 0.00 C ATOM 658 OE1 GLN A 408 1.385 -6.554 10.387 1.00 0.00 O ATOM 659 NE2 GLN A 408 2.261 -4.888 9.278 1.00 0.00 N ATOM 0 H GLN A 408 0.241 -3.397 10.966 1.00 0.00 H new ATOM 0 HA GLN A 408 1.202 -4.610 13.573 1.00 0.00 H new ATOM 0 HB2 GLN A 408 2.477 -3.147 11.189 1.00 0.00 H new ATOM 0 HB3 GLN A 408 3.339 -3.382 12.696 1.00 0.00 H new ATOM 0 HG2 GLN A 408 3.997 -5.278 11.423 1.00 0.00 H new ATOM 0 HG3 GLN A 408 2.716 -5.921 12.432 1.00 0.00 H new ATOM 0 HE21 GLN A 408 2.887 -4.083 9.262 1.00 0.00 H new ATOM 0 HE22 GLN A 408 1.735 -5.142 8.442 1.00 0.00 H new ATOM 668 N ILE A 409 -0.221 -2.240 14.002 1.00 0.00 N ATOM 669 CA ILE A 409 -0.522 -0.969 14.744 1.00 0.00 C ATOM 670 C ILE A 409 0.084 0.252 14.024 1.00 0.00 C ATOM 671 O ILE A 409 0.969 0.907 14.542 1.00 0.00 O ATOM 672 CB ILE A 409 0.107 -1.167 16.127 1.00 0.00 C ATOM 673 CG1 ILE A 409 -0.536 -2.377 16.812 1.00 0.00 C ATOM 674 CG2 ILE A 409 -0.111 0.081 16.993 1.00 0.00 C ATOM 675 CD1 ILE A 409 0.274 -3.635 16.495 1.00 0.00 C ATOM 0 H ILE A 409 -1.020 -2.862 13.880 1.00 0.00 H new ATOM 0 HA ILE A 409 -1.593 -0.774 14.806 1.00 0.00 H new ATOM 0 HB ILE A 409 1.177 -1.335 16.007 1.00 0.00 H new ATOM 0 HG12 ILE A 409 -0.575 -2.219 17.890 1.00 0.00 H new ATOM 0 HG13 ILE A 409 -1.564 -2.498 16.470 1.00 0.00 H new ATOM 0 HG21 ILE A 409 0.341 -0.073 17.973 1.00 0.00 H new ATOM 0 HG22 ILE A 409 0.351 0.943 16.512 1.00 0.00 H new ATOM 0 HG23 ILE A 409 -1.180 0.260 17.110 1.00 0.00 H new ATOM 0 HD11 ILE A 409 -0.184 -4.495 16.983 1.00 0.00 H new ATOM 0 HD12 ILE A 409 0.290 -3.795 15.417 1.00 0.00 H new ATOM 0 HD13 ILE A 409 1.294 -3.512 16.859 1.00 0.00 H new ATOM 687 N VAL A 410 -0.399 0.564 12.845 1.00 0.00 N ATOM 688 CA VAL A 410 0.135 1.748 12.104 1.00 0.00 C ATOM 689 C VAL A 410 -1.009 2.745 11.874 1.00 0.00 C ATOM 690 O VAL A 410 -1.455 2.945 10.761 1.00 0.00 O ATOM 691 CB VAL A 410 0.686 1.204 10.778 1.00 0.00 C ATOM 692 CG1 VAL A 410 -0.424 0.511 9.975 1.00 0.00 C ATOM 693 CG2 VAL A 410 1.265 2.364 9.961 1.00 0.00 C ATOM 0 H VAL A 410 -1.138 0.050 12.366 1.00 0.00 H new ATOM 0 HA VAL A 410 0.919 2.272 12.650 1.00 0.00 H new ATOM 0 HB VAL A 410 1.466 0.473 10.991 1.00 0.00 H new ATOM 0 HG11 VAL A 410 -0.014 0.132 9.039 1.00 0.00 H new ATOM 0 HG12 VAL A 410 -0.829 -0.318 10.555 1.00 0.00 H new ATOM 0 HG13 VAL A 410 -1.218 1.226 9.760 1.00 0.00 H new ATOM 0 HG21 VAL A 410 1.658 1.984 9.018 1.00 0.00 H new ATOM 0 HG22 VAL A 410 0.481 3.094 9.760 1.00 0.00 H new ATOM 0 HG23 VAL A 410 2.068 2.840 10.523 1.00 0.00 H new ATOM 703 N GLY A 411 -1.499 3.359 12.932 1.00 0.00 N ATOM 704 CA GLY A 411 -2.627 4.321 12.791 1.00 0.00 C ATOM 705 C GLY A 411 -3.906 3.635 13.289 1.00 0.00 C ATOM 706 O GLY A 411 -4.877 3.519 12.567 1.00 0.00 O ATOM 0 H GLY A 411 -1.160 3.229 13.885 1.00 0.00 H new ATOM 0 HA2 GLY A 411 -2.431 5.225 13.368 1.00 0.00 H new ATOM 0 HA3 GLY A 411 -2.739 4.626 11.750 1.00 0.00 H new ATOM 710 N GLN A 412 -3.906 3.164 14.522 1.00 0.00 N ATOM 711 CA GLN A 412 -5.125 2.462 15.067 1.00 0.00 C ATOM 712 C GLN A 412 -6.369 3.357 14.917 1.00 0.00 C ATOM 713 O GLN A 412 -7.295 3.021 14.201 1.00 0.00 O ATOM 714 CB GLN A 412 -4.849 2.191 16.560 1.00 0.00 C ATOM 715 CG GLN A 412 -3.680 1.210 16.701 1.00 0.00 C ATOM 716 CD GLN A 412 -2.824 1.603 17.914 1.00 0.00 C ATOM 717 OE1 GLN A 412 -2.948 1.013 18.969 1.00 0.00 O ATOM 718 NE2 GLN A 412 -1.951 2.580 17.815 1.00 0.00 N ATOM 0 H GLN A 412 -3.122 3.234 15.170 1.00 0.00 H new ATOM 0 HA GLN A 412 -5.316 1.536 14.525 1.00 0.00 H new ATOM 0 HB2 GLN A 412 -4.616 3.125 17.072 1.00 0.00 H new ATOM 0 HB3 GLN A 412 -5.740 1.781 17.035 1.00 0.00 H new ATOM 0 HG2 GLN A 412 -4.057 0.194 16.822 1.00 0.00 H new ATOM 0 HG3 GLN A 412 -3.073 1.219 15.796 1.00 0.00 H new ATOM 0 HE21 GLN A 412 -1.842 3.079 16.932 1.00 0.00 H new ATOM 0 HE22 GLN A 412 -1.382 2.839 18.621 1.00 0.00 H new ATOM 727 N ASP A 413 -6.399 4.496 15.582 1.00 0.00 N ATOM 728 CA ASP A 413 -7.586 5.402 15.467 1.00 0.00 C ATOM 729 C ASP A 413 -7.218 6.836 15.895 1.00 0.00 C ATOM 730 O ASP A 413 -7.990 7.503 16.557 1.00 0.00 O ATOM 731 CB ASP A 413 -8.628 4.812 16.419 1.00 0.00 C ATOM 732 CG ASP A 413 -9.535 3.850 15.652 1.00 0.00 C ATOM 733 OD1 ASP A 413 -10.360 4.328 14.889 1.00 0.00 O ATOM 734 OD2 ASP A 413 -9.393 2.653 15.840 1.00 0.00 O ATOM 0 H ASP A 413 -5.655 4.831 16.194 1.00 0.00 H new ATOM 0 HA ASP A 413 -7.953 5.465 14.443 1.00 0.00 H new ATOM 0 HB2 ASP A 413 -8.133 4.288 17.237 1.00 0.00 H new ATOM 0 HB3 ASP A 413 -9.221 5.610 16.865 1.00 0.00 H new ATOM 739 N GLU A 414 -6.046 7.313 15.525 1.00 0.00 N ATOM 740 CA GLU A 414 -5.643 8.699 15.918 1.00 0.00 C ATOM 741 C GLU A 414 -5.524 9.588 14.669 1.00 0.00 C ATOM 742 O GLU A 414 -4.458 10.091 14.361 1.00 0.00 O ATOM 743 CB GLU A 414 -4.283 8.542 16.603 1.00 0.00 C ATOM 744 CG GLU A 414 -4.430 7.648 17.837 1.00 0.00 C ATOM 745 CD GLU A 414 -3.297 7.946 18.820 1.00 0.00 C ATOM 746 OE1 GLU A 414 -2.149 7.818 18.428 1.00 0.00 O ATOM 747 OE2 GLU A 414 -3.596 8.296 19.950 1.00 0.00 O ATOM 0 H GLU A 414 -5.359 6.802 14.971 1.00 0.00 H new ATOM 0 HA GLU A 414 -6.373 9.172 16.576 1.00 0.00 H new ATOM 0 HB2 GLU A 414 -3.563 8.107 15.910 1.00 0.00 H new ATOM 0 HB3 GLU A 414 -3.896 9.519 16.893 1.00 0.00 H new ATOM 0 HG2 GLU A 414 -5.395 7.823 18.313 1.00 0.00 H new ATOM 0 HG3 GLU A 414 -4.405 6.598 17.544 1.00 0.00 H new ATOM 754 N THR A 415 -6.607 9.788 13.947 1.00 0.00 N ATOM 755 CA THR A 415 -6.543 10.645 12.726 1.00 0.00 C ATOM 756 C THR A 415 -7.364 11.925 12.939 1.00 0.00 C ATOM 757 O THR A 415 -8.362 12.147 12.278 1.00 0.00 O ATOM 758 CB THR A 415 -7.143 9.793 11.602 1.00 0.00 C ATOM 759 OG1 THR A 415 -7.992 8.796 12.156 1.00 0.00 O ATOM 760 CG2 THR A 415 -6.014 9.126 10.817 1.00 0.00 C ATOM 0 H THR A 415 -7.525 9.395 14.154 1.00 0.00 H new ATOM 0 HA THR A 415 -5.525 10.956 12.492 1.00 0.00 H new ATOM 0 HB THR A 415 -7.726 10.429 10.936 1.00 0.00 H new ATOM 0 HG1 THR A 415 -8.375 8.255 11.434 1.00 0.00 H new ATOM 0 HG21 THR A 415 -6.437 8.519 10.016 1.00 0.00 H new ATOM 0 HG22 THR A 415 -5.367 9.892 10.389 1.00 0.00 H new ATOM 0 HG23 THR A 415 -5.432 8.491 11.485 1.00 0.00 H new ATOM 768 N ASP A 416 -6.952 12.772 13.860 1.00 0.00 N ATOM 769 CA ASP A 416 -7.709 14.035 14.111 1.00 0.00 C ATOM 770 C ASP A 416 -6.736 15.197 14.367 1.00 0.00 C ATOM 771 O ASP A 416 -6.970 16.024 15.228 1.00 0.00 O ATOM 772 CB ASP A 416 -8.546 13.752 15.359 1.00 0.00 C ATOM 773 CG ASP A 416 -9.778 14.660 15.366 1.00 0.00 C ATOM 774 OD1 ASP A 416 -9.629 15.828 15.049 1.00 0.00 O ATOM 775 OD2 ASP A 416 -10.848 14.171 15.687 1.00 0.00 O ATOM 0 H ASP A 416 -6.126 12.639 14.444 1.00 0.00 H new ATOM 0 HA ASP A 416 -8.327 14.322 13.260 1.00 0.00 H new ATOM 0 HB2 ASP A 416 -8.852 12.706 15.375 1.00 0.00 H new ATOM 0 HB3 ASP A 416 -7.950 13.923 16.256 1.00 0.00 H new ATOM 780 N ASP A 417 -5.646 15.270 13.628 1.00 0.00 N ATOM 781 CA ASP A 417 -4.671 16.381 13.840 1.00 0.00 C ATOM 782 C ASP A 417 -4.328 17.045 12.505 1.00 0.00 C ATOM 783 O ASP A 417 -3.501 16.504 11.790 1.00 0.00 O ATOM 784 CB ASP A 417 -3.433 15.712 14.440 1.00 0.00 C ATOM 785 CG ASP A 417 -3.690 15.389 15.913 1.00 0.00 C ATOM 786 OD1 ASP A 417 -3.576 16.291 16.726 1.00 0.00 O ATOM 787 OD2 ASP A 417 -3.997 14.244 16.203 1.00 0.00 O ATOM 0 H ASP A 417 -5.397 14.609 12.893 1.00 0.00 H new ATOM 0 HA ASP A 417 -5.068 17.161 14.490 1.00 0.00 H new ATOM 0 HB2 ASP A 417 -3.199 14.799 13.892 1.00 0.00 H new ATOM 0 HB3 ASP A 417 -2.570 16.371 14.347 1.00 0.00 H new TER 792 ASP A 417 HETATM 793 ZN ZN A1001 -1.258 3.315 0.437 1.00 0.00 ZN HETATM 794 O5' ADN A1002 -5.652 11.718 9.867 1.00 0.00 O HETATM 795 C5' ADN A1002 -6.056 12.380 8.672 1.00 0.00 C HETATM 796 C4' ADN A1002 -5.029 12.167 7.586 1.00 0.00 C HETATM 797 O4' ADN A1002 -4.702 10.754 7.515 1.00 0.00 O HETATM 798 C3' ADN A1002 -5.489 12.535 6.181 1.00 0.00 C HETATM 799 O3' ADN A1002 -5.252 13.903 5.873 1.00 0.00 O HETATM 800 C2' ADN A1002 -4.642 11.615 5.311 1.00 0.00 C HETATM 801 O2' ADN A1002 -3.324 12.124 5.185 1.00 0.00 O HETATM 802 C1' ADN A1002 -4.622 10.349 6.161 1.00 0.00 C HETATM 803 N9 ADN A1002 -5.699 9.395 5.878 1.00 0.00 N HETATM 804 C8 ADN A1002 -6.916 9.272 6.514 1.00 0.00 C HETATM 805 N7 ADN A1002 -7.677 8.317 6.035 1.00 0.00 N HETATM 806 C5 ADN A1002 -6.916 7.768 5.015 1.00 0.00 C HETATM 807 C6 ADN A1002 -7.150 6.695 4.098 1.00 0.00 C HETATM 808 N6 ADN A1002 -8.275 5.979 4.089 1.00 0.00 N HETATM 809 N1 ADN A1002 -6.168 6.393 3.185 1.00 0.00 N HETATM 810 C2 ADN A1002 -5.018 7.127 3.197 1.00 0.00 C HETATM 811 N3 ADN A1002 -4.689 8.159 4.017 1.00 0.00 N HETATM 812 C4 ADN A1002 -5.689 8.426 4.904 1.00 0.00 C HETATM 0 HO5' ADN A1002 -4.683 11.575 9.850 1.00 0.00 H new HETATM 0 HO3' ADN A1002 -4.386 13.992 5.423 1.00 0.00 H new HETATM 0 HN62 ADN A1002 -8.393 5.223 3.414 1.00 0.00 H new HETATM 0 HN61 ADN A1002 -9.017 6.187 4.757 1.00 0.00 H new HETATM 0 H5'2 ADN A1002 -7.024 12.000 8.347 1.00 0.00 H new HETATM 0 H5'1 ADN A1002 -6.179 13.446 8.862 1.00 0.00 H new HETATM 0 H8 ADN A1002 -7.219 9.912 7.342 1.00 0.00 H new HETATM 0 H4' ADN A1002 -4.198 12.815 7.863 1.00 0.00 H new HETATM 0 H3' ADN A1002 -6.563 12.413 6.040 1.00 0.00 H new HETATM 0 H2' ADN A1002 -5.019 11.486 4.296 1.00 0.00 H new HETATM 0 H2 ADN A1002 -4.269 6.851 2.455 1.00 0.00 H new HETATM 0 H1' ADN A1002 -3.701 9.816 5.925 1.00 0.00 H new HETATM 825 O5' RIB A1003 -0.202 14.898 1.518 1.00 0.00 O HETATM 826 C5' RIB A1003 -1.082 13.781 1.418 1.00 0.00 C HETATM 827 C4' RIB A1003 -1.100 13.013 2.718 1.00 0.00 C HETATM 828 O4' RIB A1003 -2.378 13.216 3.379 1.00 0.00 O HETATM 829 C3' RIB A1003 -0.937 11.505 2.594 1.00 0.00 C HETATM 830 O3' RIB A1003 0.433 11.124 2.650 1.00 0.00 O HETATM 831 C2' RIB A1003 -1.723 10.976 3.787 1.00 0.00 C HETATM 832 O2' RIB A1003 -0.953 11.060 4.970 1.00 0.00 O HETATM 833 C1' RIB A1003 -2.874 11.979 3.851 1.00 0.00 C HETATM 0 HO5' RIB A1003 -0.197 15.388 0.669 1.00 0.00 H new HETATM 0 HO3' RIB A1003 0.699 10.996 3.584 1.00 0.00 H new HETATM 0 HO2' RIB A1003 -1.523 11.354 5.711 1.00 0.00 H new HETATM 0 H5'2 RIB A1003 -2.088 14.122 1.175 1.00 0.00 H new HETATM 0 H5'1 RIB A1003 -0.762 13.128 0.606 1.00 0.00 H new HETATM 0 H4' RIB A1003 -0.242 13.400 3.268 1.00 0.00 H new HETATM 0 H3' RIB A1003 -1.294 11.110 1.643 1.00 0.00 H new HETATM 0 H2' RIB A1003 -2.025 9.933 3.693 1.00 0.00 H new