USER MOD reduce.3.24.130724 H: found=0, std=0, add=392, rem=0, adj=19 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 -152:sc= -0.504 (180deg=-2.15!) USER MOD Set 1.2: A1003 RIB O2' : rot 137:sc= 0.457 USER MOD Single : A 367 SER OG : rot 58:sc= 0.358 USER MOD Single : A 369 SER OG : rot 180:sc= 0 USER MOD Single : A 372 ASN : amide:sc= -0.0256 X(o=-0.026,f=-0.0023) USER MOD Single : A 373 LYS NZ :NH3+ 144:sc= 0 (180deg=-0.0524) 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 378 SER OG : rot 109:sc= 0.573 USER MOD Single : A 381 TYR OH : rot 116:sc= 0.86 USER MOD Single : A 384 ASN :FLIP amide:sc= -0.483 F(o=-2,f=-0.48) USER MOD Single : A 386 TYR OH : rot 110:sc= -1.1 USER MOD Single : A 388 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 389 ASN : amide:sc= -0.0844 K(o=-0.084,f=-0.94) USER MOD Single : A 394 GLN : amide:sc= -0.435 K(o=-0.44,f=-2.8!) USER MOD Single : A 395 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 397 SER OG : rot 173:sc= -3.46! USER MOD Single : A 402 SER OG : rot 69:sc= 0.362 USER MOD Single : A 404 TYR OH : rot 180:sc= 0 USER MOD Single : A 408 GLN :FLIP amide:sc= -1.56 F(o=-3.2!,f=-1.6) USER MOD Single : A 412 GLN : amide:sc= -4.42 X(o=-4.4,f=-4.1) USER MOD Single : A 415 THR OG1 : rot 180:sc= 0.0219 USER MOD Single : A1002 ADN O3' : rot 92:sc= 0.132 USER MOD Single : A1002 ADN O5' : rot 180:sc= 0 USER MOD Single : A1003 RIB O3' : rot 88:sc= 0.125 USER MOD Single : A1003 RIB O5' : rot -32:sc= 0.334 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 363 13.732 -4.385 -11.739 1.00 0.00 N ATOM 2 CA GLY A 363 12.534 -4.312 -10.855 1.00 0.00 C ATOM 3 C GLY A 363 11.261 -4.391 -11.709 1.00 0.00 C ATOM 4 O GLY A 363 10.666 -5.445 -11.824 1.00 0.00 O ATOM 0 HA2 GLY A 363 12.551 -5.128 -10.133 1.00 0.00 H new ATOM 0 HA3 GLY A 363 12.545 -3.383 -10.285 1.00 0.00 H new ATOM 10 N PRO A 364 10.871 -3.273 -12.287 1.00 0.00 N ATOM 11 CA PRO A 364 9.651 -3.251 -13.131 1.00 0.00 C ATOM 12 C PRO A 364 9.913 -3.963 -14.468 1.00 0.00 C ATOM 13 O PRO A 364 10.585 -3.431 -15.333 1.00 0.00 O ATOM 14 CB PRO A 364 9.389 -1.763 -13.351 1.00 0.00 C ATOM 15 CG PRO A 364 10.720 -1.104 -13.181 1.00 0.00 C ATOM 16 CD PRO A 364 11.511 -1.947 -12.214 1.00 0.00 C ATOM 0 HA PRO A 364 8.805 -3.763 -12.672 1.00 0.00 H new ATOM 0 HB2 PRO A 364 8.981 -1.577 -14.345 1.00 0.00 H new ATOM 0 HB3 PRO A 364 8.665 -1.380 -12.632 1.00 0.00 H new ATOM 0 HG2 PRO A 364 11.237 -1.027 -14.138 1.00 0.00 H new ATOM 0 HG3 PRO A 364 10.602 -0.089 -12.800 1.00 0.00 H new ATOM 0 HD2 PRO A 364 12.563 -1.996 -12.496 1.00 0.00 H new ATOM 0 HD3 PRO A 364 11.470 -1.540 -11.204 1.00 0.00 H new ATOM 24 N LEU A 365 9.389 -5.159 -14.649 1.00 0.00 N ATOM 25 CA LEU A 365 9.615 -5.889 -15.932 1.00 0.00 C ATOM 26 C LEU A 365 8.305 -6.529 -16.417 1.00 0.00 C ATOM 27 O LEU A 365 8.274 -7.695 -16.767 1.00 0.00 O ATOM 28 CB LEU A 365 10.647 -6.968 -15.596 1.00 0.00 C ATOM 29 CG LEU A 365 11.606 -7.143 -16.774 1.00 0.00 C ATOM 30 CD1 LEU A 365 12.895 -7.809 -16.291 1.00 0.00 C ATOM 31 CD2 LEU A 365 10.948 -8.022 -17.840 1.00 0.00 C ATOM 0 H LEU A 365 8.818 -5.654 -13.963 1.00 0.00 H new ATOM 0 HA LEU A 365 9.959 -5.229 -16.728 1.00 0.00 H new ATOM 0 HB2 LEU A 365 11.202 -6.689 -14.700 1.00 0.00 H new ATOM 0 HB3 LEU A 365 10.145 -7.911 -15.379 1.00 0.00 H new ATOM 0 HG LEU A 365 11.840 -6.167 -17.199 1.00 0.00 H new ATOM 0 HD11 LEU A 365 13.578 -7.933 -17.132 1.00 0.00 H new ATOM 0 HD12 LEU A 365 13.365 -7.184 -15.531 1.00 0.00 H new ATOM 0 HD13 LEU A 365 12.663 -8.785 -15.865 1.00 0.00 H new ATOM 0 HD21 LEU A 365 11.631 -8.147 -18.680 1.00 0.00 H new ATOM 0 HD22 LEU A 365 10.714 -8.998 -17.414 1.00 0.00 H new ATOM 0 HD23 LEU A 365 10.030 -7.548 -18.186 1.00 0.00 H new ATOM 43 N GLY A 366 7.220 -5.780 -16.441 1.00 0.00 N ATOM 44 CA GLY A 366 5.923 -6.356 -16.904 1.00 0.00 C ATOM 45 C GLY A 366 4.901 -6.304 -15.761 1.00 0.00 C ATOM 46 O GLY A 366 4.086 -5.402 -15.699 1.00 0.00 O ATOM 0 H GLY A 366 7.184 -4.800 -16.160 1.00 0.00 H new ATOM 0 HA2 GLY A 366 5.552 -5.798 -17.763 1.00 0.00 H new ATOM 0 HA3 GLY A 366 6.067 -7.386 -17.231 1.00 0.00 H new ATOM 50 N SER A 367 4.933 -7.259 -14.854 1.00 0.00 N ATOM 51 CA SER A 367 3.958 -7.250 -13.722 1.00 0.00 C ATOM 52 C SER A 367 4.705 -7.201 -12.378 1.00 0.00 C ATOM 53 O SER A 367 4.740 -8.175 -11.649 1.00 0.00 O ATOM 54 CB SER A 367 3.180 -8.559 -13.860 1.00 0.00 C ATOM 55 OG SER A 367 4.094 -9.647 -13.884 1.00 0.00 O ATOM 0 H SER A 367 5.591 -8.038 -14.853 1.00 0.00 H new ATOM 0 HA SER A 367 3.300 -6.382 -13.749 1.00 0.00 H new ATOM 0 HB2 SER A 367 2.484 -8.672 -13.028 1.00 0.00 H new ATOM 0 HB3 SER A 367 2.586 -8.548 -14.774 1.00 0.00 H new ATOM 0 HG SER A 367 4.635 -9.638 -13.067 1.00 0.00 H new ATOM 61 N GLY A 368 5.303 -6.075 -12.042 1.00 0.00 N ATOM 62 CA GLY A 368 6.042 -5.978 -10.747 1.00 0.00 C ATOM 63 C GLY A 368 5.803 -4.597 -10.118 1.00 0.00 C ATOM 64 O GLY A 368 6.316 -3.602 -10.595 1.00 0.00 O ATOM 0 H GLY A 368 5.308 -5.227 -12.609 1.00 0.00 H new ATOM 0 HA2 GLY A 368 5.708 -6.761 -10.067 1.00 0.00 H new ATOM 0 HA3 GLY A 368 7.108 -6.133 -10.913 1.00 0.00 H new ATOM 68 N SER A 369 5.030 -4.525 -9.054 1.00 0.00 N ATOM 69 CA SER A 369 4.768 -3.204 -8.407 1.00 0.00 C ATOM 70 C SER A 369 5.317 -3.200 -6.970 1.00 0.00 C ATOM 71 O SER A 369 4.590 -2.950 -6.026 1.00 0.00 O ATOM 72 CB SER A 369 3.246 -3.060 -8.404 1.00 0.00 C ATOM 73 OG SER A 369 2.777 -3.015 -9.746 1.00 0.00 O ATOM 0 H SER A 369 4.574 -5.323 -8.612 1.00 0.00 H new ATOM 0 HA SER A 369 5.252 -2.381 -8.933 1.00 0.00 H new ATOM 0 HB2 SER A 369 2.791 -3.897 -7.875 1.00 0.00 H new ATOM 0 HB3 SER A 369 2.956 -2.153 -7.874 1.00 0.00 H new ATOM 0 HG SER A 369 1.801 -2.924 -9.749 1.00 0.00 H new ATOM 79 N GLU A 370 6.595 -3.474 -6.794 1.00 0.00 N ATOM 80 CA GLU A 370 7.176 -3.484 -5.417 1.00 0.00 C ATOM 81 C GLU A 370 8.608 -2.918 -5.440 1.00 0.00 C ATOM 82 O GLU A 370 9.057 -2.407 -6.449 1.00 0.00 O ATOM 83 CB GLU A 370 7.177 -4.958 -4.993 1.00 0.00 C ATOM 84 CG GLU A 370 8.009 -5.787 -5.977 1.00 0.00 C ATOM 85 CD GLU A 370 8.213 -7.195 -5.413 1.00 0.00 C ATOM 86 OE1 GLU A 370 7.264 -7.738 -4.873 1.00 0.00 O ATOM 87 OE2 GLU A 370 9.314 -7.705 -5.534 1.00 0.00 O ATOM 0 H GLU A 370 7.252 -3.689 -7.544 1.00 0.00 H new ATOM 0 HA GLU A 370 6.606 -2.867 -4.723 1.00 0.00 H new ATOM 0 HB2 GLU A 370 7.586 -5.055 -3.987 1.00 0.00 H new ATOM 0 HB3 GLU A 370 6.155 -5.336 -4.960 1.00 0.00 H new ATOM 0 HG2 GLU A 370 7.505 -5.840 -6.942 1.00 0.00 H new ATOM 0 HG3 GLU A 370 8.974 -5.309 -6.147 1.00 0.00 H new ATOM 94 N GLY A 371 9.328 -3.002 -4.338 1.00 0.00 N ATOM 95 CA GLY A 371 10.721 -2.466 -4.312 1.00 0.00 C ATOM 96 C GLY A 371 11.679 -3.494 -4.931 1.00 0.00 C ATOM 97 O GLY A 371 11.807 -3.576 -6.138 1.00 0.00 O ATOM 0 H GLY A 371 9.007 -3.418 -3.464 1.00 0.00 H new ATOM 0 HA2 GLY A 371 10.771 -1.528 -4.865 1.00 0.00 H new ATOM 0 HA3 GLY A 371 11.019 -2.248 -3.286 1.00 0.00 H new ATOM 101 N ASN A 372 12.355 -4.281 -4.117 1.00 0.00 N ATOM 102 CA ASN A 372 13.300 -5.298 -4.670 1.00 0.00 C ATOM 103 C ASN A 372 13.058 -6.662 -4.003 1.00 0.00 C ATOM 104 O ASN A 372 13.854 -7.113 -3.201 1.00 0.00 O ATOM 105 CB ASN A 372 14.694 -4.769 -4.327 1.00 0.00 C ATOM 106 CG ASN A 372 15.050 -3.613 -5.270 1.00 0.00 C ATOM 107 OD1 ASN A 372 15.297 -2.511 -4.824 1.00 0.00 O ATOM 108 ND2 ASN A 372 15.088 -3.815 -6.565 1.00 0.00 N ATOM 0 H ASN A 372 12.289 -4.259 -3.099 1.00 0.00 H new ATOM 0 HA ASN A 372 13.173 -5.443 -5.743 1.00 0.00 H new ATOM 0 HB2 ASN A 372 14.721 -4.429 -3.292 1.00 0.00 H new ATOM 0 HB3 ASN A 372 15.430 -5.567 -4.419 1.00 0.00 H new ATOM 0 HD21 ASN A 372 15.324 -3.048 -7.194 1.00 0.00 H new ATOM 0 HD22 ASN A 372 14.881 -4.739 -6.943 1.00 0.00 H new ATOM 115 N LYS A 373 11.960 -7.328 -4.320 1.00 0.00 N ATOM 116 CA LYS A 373 11.668 -8.661 -3.695 1.00 0.00 C ATOM 117 C LYS A 373 11.747 -8.565 -2.160 1.00 0.00 C ATOM 118 O LYS A 373 12.564 -9.218 -1.535 1.00 0.00 O ATOM 119 CB LYS A 373 12.745 -9.610 -4.239 1.00 0.00 C ATOM 120 CG LYS A 373 12.190 -10.385 -5.437 1.00 0.00 C ATOM 121 CD LYS A 373 11.992 -9.433 -6.618 1.00 0.00 C ATOM 122 CE LYS A 373 12.224 -10.191 -7.928 1.00 0.00 C ATOM 123 NZ LYS A 373 13.702 -10.206 -8.108 1.00 0.00 N ATOM 0 H LYS A 373 11.258 -7.002 -4.984 1.00 0.00 H new ATOM 0 HA LYS A 373 10.665 -9.013 -3.934 1.00 0.00 H new ATOM 0 HB2 LYS A 373 13.627 -9.043 -4.537 1.00 0.00 H new ATOM 0 HB3 LYS A 373 13.061 -10.303 -3.459 1.00 0.00 H new ATOM 0 HG2 LYS A 373 12.875 -11.186 -5.714 1.00 0.00 H new ATOM 0 HG3 LYS A 373 11.242 -10.854 -5.172 1.00 0.00 H new ATOM 0 HD2 LYS A 373 10.984 -9.018 -6.599 1.00 0.00 H new ATOM 0 HD3 LYS A 373 12.684 -8.594 -6.543 1.00 0.00 H new ATOM 0 HE2 LYS A 373 11.823 -11.203 -7.875 1.00 0.00 H new ATOM 0 HE3 LYS A 373 11.730 -9.696 -8.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 373 13.991 -11.110 -8.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 373 13.984 -9.423 -8.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 373 14.165 -10.096 -7.183 1.00 0.00 H new ATOM 137 N VAL A 374 10.913 -7.748 -1.548 1.00 0.00 N ATOM 138 CA VAL A 374 10.956 -7.610 -0.068 1.00 0.00 C ATOM 139 C VAL A 374 9.537 -7.444 0.500 1.00 0.00 C ATOM 140 O VAL A 374 8.614 -7.109 -0.218 1.00 0.00 O ATOM 141 CB VAL A 374 11.801 -6.352 0.173 1.00 0.00 C ATOM 142 CG1 VAL A 374 11.128 -5.131 -0.461 1.00 0.00 C ATOM 143 CG2 VAL A 374 11.966 -6.122 1.675 1.00 0.00 C ATOM 0 H VAL A 374 10.210 -7.177 -2.017 1.00 0.00 H new ATOM 0 HA VAL A 374 11.377 -8.487 0.424 1.00 0.00 H new ATOM 0 HB VAL A 374 12.780 -6.494 -0.284 1.00 0.00 H new ATOM 0 HG11 VAL A 374 11.738 -4.246 -0.282 1.00 0.00 H new ATOM 0 HG12 VAL A 374 11.024 -5.289 -1.534 1.00 0.00 H new ATOM 0 HG13 VAL A 374 10.142 -4.988 -0.018 1.00 0.00 H new ATOM 0 HG21 VAL A 374 12.567 -5.228 1.842 1.00 0.00 H new ATOM 0 HG22 VAL A 374 10.986 -5.992 2.133 1.00 0.00 H new ATOM 0 HG23 VAL A 374 12.464 -6.982 2.122 1.00 0.00 H new ATOM 153 N LYS A 375 9.360 -7.655 1.787 1.00 0.00 N ATOM 154 CA LYS A 375 8.001 -7.480 2.394 1.00 0.00 C ATOM 155 C LYS A 375 7.851 -6.016 2.853 1.00 0.00 C ATOM 156 O LYS A 375 8.324 -5.631 3.906 1.00 0.00 O ATOM 157 CB LYS A 375 7.925 -8.447 3.587 1.00 0.00 C ATOM 158 CG LYS A 375 6.542 -9.112 3.632 1.00 0.00 C ATOM 159 CD LYS A 375 6.426 -10.153 2.512 1.00 0.00 C ATOM 160 CE LYS A 375 6.993 -11.494 2.987 1.00 0.00 C ATOM 161 NZ LYS A 375 6.431 -12.506 2.046 1.00 0.00 N ATOM 0 H LYS A 375 10.093 -7.939 2.437 1.00 0.00 H new ATOM 0 HA LYS A 375 7.199 -7.695 1.688 1.00 0.00 H new ATOM 0 HB2 LYS A 375 8.701 -9.207 3.500 1.00 0.00 H new ATOM 0 HB3 LYS A 375 8.109 -7.908 4.516 1.00 0.00 H new ATOM 0 HG2 LYS A 375 6.389 -9.589 4.600 1.00 0.00 H new ATOM 0 HG3 LYS A 375 5.763 -8.358 3.522 1.00 0.00 H new ATOM 0 HD2 LYS A 375 5.382 -10.272 2.221 1.00 0.00 H new ATOM 0 HD3 LYS A 375 6.966 -9.812 1.629 1.00 0.00 H new ATOM 0 HE2 LYS A 375 8.083 -11.493 2.961 1.00 0.00 H new ATOM 0 HE3 LYS A 375 6.699 -11.705 4.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 375 6.775 -13.452 2.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 375 5.392 -12.489 2.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 375 6.733 -12.284 1.076 1.00 0.00 H new ATOM 175 N ARG A 376 7.195 -5.203 2.053 1.00 0.00 N ATOM 176 CA ARG A 376 7.014 -3.764 2.430 1.00 0.00 C ATOM 177 C ARG A 376 6.071 -3.646 3.632 1.00 0.00 C ATOM 178 O ARG A 376 5.428 -4.606 4.013 1.00 0.00 O ATOM 179 CB ARG A 376 6.434 -3.038 1.206 1.00 0.00 C ATOM 180 CG ARG A 376 7.572 -2.350 0.449 1.00 0.00 C ATOM 181 CD ARG A 376 8.052 -1.117 1.245 1.00 0.00 C ATOM 182 NE ARG A 376 9.425 -1.444 1.774 1.00 0.00 N ATOM 183 CZ ARG A 376 9.891 -0.862 2.871 1.00 0.00 C ATOM 184 NH1 ARG A 376 9.188 0.027 3.536 1.00 0.00 N ATOM 185 NH2 ARG A 376 11.089 -1.165 3.300 1.00 0.00 N ATOM 0 H ARG A 376 6.780 -5.473 1.161 1.00 0.00 H new ATOM 0 HA ARG A 376 7.965 -3.316 2.718 1.00 0.00 H new ATOM 0 HB2 ARG A 376 5.923 -3.747 0.555 1.00 0.00 H new ATOM 0 HB3 ARG A 376 5.693 -2.303 1.520 1.00 0.00 H new ATOM 0 HG2 ARG A 376 8.398 -3.046 0.303 1.00 0.00 H new ATOM 0 HG3 ARG A 376 7.232 -2.047 -0.541 1.00 0.00 H new ATOM 0 HD2 ARG A 376 8.084 -0.234 0.607 1.00 0.00 H new ATOM 0 HD3 ARG A 376 7.366 -0.894 2.062 1.00 0.00 H new ATOM 0 HE ARG A 376 10.005 -2.123 1.281 1.00 0.00 H new ATOM 0 HH11 ARG A 376 8.256 0.287 3.212 1.00 0.00 H new ATOM 0 HH12 ARG A 376 9.574 0.457 4.377 1.00 0.00 H new ATOM 0 HH21 ARG A 376 11.656 -1.844 2.792 1.00 0.00 H new ATOM 0 HH22 ARG A 376 11.456 -0.723 4.143 1.00 0.00 H new ATOM 199 N THR A 377 5.991 -2.479 4.239 1.00 0.00 N ATOM 200 CA THR A 377 5.089 -2.321 5.430 1.00 0.00 C ATOM 201 C THR A 377 3.649 -1.987 4.975 1.00 0.00 C ATOM 202 O THR A 377 3.450 -1.236 4.041 1.00 0.00 O ATOM 203 CB THR A 377 5.717 -1.198 6.286 1.00 0.00 C ATOM 204 OG1 THR A 377 5.185 -1.242 7.616 1.00 0.00 O ATOM 205 CG2 THR A 377 5.458 0.180 5.658 1.00 0.00 C ATOM 0 H THR A 377 6.504 -1.641 3.965 1.00 0.00 H new ATOM 0 HA THR A 377 5.006 -3.238 6.014 1.00 0.00 H new ATOM 0 HB THR A 377 6.795 -1.357 6.325 1.00 0.00 H new ATOM 0 HG1 THR A 377 5.589 -0.529 8.153 1.00 0.00 H new ATOM 0 HG21 THR A 377 5.910 0.954 6.279 1.00 0.00 H new ATOM 0 HG22 THR A 377 5.896 0.213 4.661 1.00 0.00 H new ATOM 0 HG23 THR A 377 4.384 0.352 5.588 1.00 0.00 H new ATOM 213 N SER A 378 2.656 -2.554 5.615 1.00 0.00 N ATOM 214 CA SER A 378 1.230 -2.283 5.191 1.00 0.00 C ATOM 215 C SER A 378 0.901 -0.785 5.290 1.00 0.00 C ATOM 216 O SER A 378 1.059 -0.177 6.329 1.00 0.00 O ATOM 217 CB SER A 378 0.314 -3.074 6.128 1.00 0.00 C ATOM 218 OG SER A 378 -1.002 -3.080 5.595 1.00 0.00 O ATOM 0 H SER A 378 2.760 -3.189 6.407 1.00 0.00 H new ATOM 0 HA SER A 378 1.089 -2.585 4.153 1.00 0.00 H new ATOM 0 HB2 SER A 378 0.680 -4.095 6.238 1.00 0.00 H new ATOM 0 HB3 SER A 378 0.315 -2.626 7.122 1.00 0.00 H new ATOM 0 HG SER A 378 -1.219 -3.978 5.269 1.00 0.00 H new ATOM 224 N CYS A 379 0.475 -0.181 4.199 1.00 0.00 N ATOM 225 CA CYS A 379 0.164 1.295 4.197 1.00 0.00 C ATOM 226 C CYS A 379 -0.636 1.754 5.432 1.00 0.00 C ATOM 227 O CYS A 379 -1.487 1.043 5.929 1.00 0.00 O ATOM 228 CB CYS A 379 -0.682 1.542 2.943 1.00 0.00 C ATOM 229 SG CYS A 379 -0.805 3.316 2.635 1.00 0.00 S ATOM 0 H CYS A 379 0.328 -0.648 3.304 1.00 0.00 H new ATOM 0 HA CYS A 379 1.098 1.856 4.214 1.00 0.00 H new ATOM 0 HB2 CYS A 379 -0.232 1.044 2.084 1.00 0.00 H new ATOM 0 HB3 CYS A 379 -1.677 1.116 3.073 1.00 0.00 H new ATOM 234 N MET A 380 -0.351 2.957 5.915 1.00 0.00 N ATOM 235 CA MET A 380 -1.081 3.519 7.121 1.00 0.00 C ATOM 236 C MET A 380 -2.591 3.231 7.035 1.00 0.00 C ATOM 237 O MET A 380 -3.231 2.957 8.035 1.00 0.00 O ATOM 238 CB MET A 380 -0.860 5.033 7.089 1.00 0.00 C ATOM 239 CG MET A 380 0.575 5.336 7.501 1.00 0.00 C ATOM 240 SD MET A 380 0.885 7.111 7.340 1.00 0.00 S ATOM 241 CE MET A 380 0.557 7.250 5.564 1.00 0.00 C ATOM 0 H MET A 380 0.359 3.576 5.524 1.00 0.00 H new ATOM 0 HA MET A 380 -0.707 3.064 8.038 1.00 0.00 H new ATOM 0 HB2 MET A 380 -1.054 5.420 6.089 1.00 0.00 H new ATOM 0 HB3 MET A 380 -1.558 5.529 7.764 1.00 0.00 H new ATOM 0 HG2 MET A 380 0.744 5.018 8.530 1.00 0.00 H new ATOM 0 HG3 MET A 380 1.270 4.776 6.876 1.00 0.00 H new ATOM 0 HE1 MET A 380 1.135 8.077 5.151 1.00 0.00 H new ATOM 0 HE2 MET A 380 0.844 6.323 5.067 1.00 0.00 H new ATOM 0 HE3 MET A 380 -0.505 7.434 5.403 1.00 0.00 H new ATOM 251 N TYR A 381 -3.157 3.263 5.845 1.00 0.00 N ATOM 252 CA TYR A 381 -4.602 2.961 5.708 1.00 0.00 C ATOM 253 C TYR A 381 -4.811 1.995 4.540 1.00 0.00 C ATOM 254 O TYR A 381 -5.762 2.140 3.805 1.00 0.00 O ATOM 255 CB TYR A 381 -5.311 4.284 5.383 1.00 0.00 C ATOM 256 CG TYR A 381 -4.872 5.429 6.274 1.00 0.00 C ATOM 257 CD1 TYR A 381 -3.683 6.144 5.968 1.00 0.00 C ATOM 258 CD2 TYR A 381 -5.686 5.837 7.369 1.00 0.00 C ATOM 259 CE1 TYR A 381 -3.303 7.258 6.758 1.00 0.00 C ATOM 260 CE2 TYR A 381 -5.303 6.957 8.156 1.00 0.00 C ATOM 261 CZ TYR A 381 -4.115 7.665 7.851 1.00 0.00 C ATOM 262 OH TYR A 381 -3.743 8.750 8.617 1.00 0.00 O ATOM 0 H TYR A 381 -2.674 3.485 4.975 1.00 0.00 H new ATOM 0 HA TYR A 381 -4.992 2.512 6.622 1.00 0.00 H new ATOM 0 HB2 TYR A 381 -5.118 4.547 4.343 1.00 0.00 H new ATOM 0 HB3 TYR A 381 -6.388 4.146 5.483 1.00 0.00 H new ATOM 0 HD1 TYR A 381 -3.069 5.839 5.134 1.00 0.00 H new ATOM 0 HD2 TYR A 381 -6.592 5.297 7.601 1.00 0.00 H new ATOM 0 HE1 TYR A 381 -2.396 7.798 6.529 1.00 0.00 H new ATOM 0 HE2 TYR A 381 -5.918 7.268 8.987 1.00 0.00 H new ATOM 0 HH TYR A 381 -4.407 9.464 8.518 1.00 0.00 H new ATOM 272 N GLY A 382 -3.923 1.035 4.323 1.00 0.00 N ATOM 273 CA GLY A 382 -4.074 0.082 3.161 1.00 0.00 C ATOM 274 C GLY A 382 -5.542 -0.306 2.874 1.00 0.00 C ATOM 275 O GLY A 382 -5.976 -0.261 1.736 1.00 0.00 O ATOM 0 H GLY A 382 -3.100 0.873 4.903 1.00 0.00 H new ATOM 0 HA2 GLY A 382 -3.645 0.538 2.269 1.00 0.00 H new ATOM 0 HA3 GLY A 382 -3.500 -0.822 3.365 1.00 0.00 H new ATOM 279 N ALA A 383 -6.313 -0.672 3.879 1.00 0.00 N ATOM 280 CA ALA A 383 -7.756 -1.046 3.613 1.00 0.00 C ATOM 281 C ALA A 383 -8.528 0.130 2.965 1.00 0.00 C ATOM 282 O ALA A 383 -9.509 -0.084 2.276 1.00 0.00 O ATOM 283 CB ALA A 383 -8.378 -1.398 4.971 1.00 0.00 C ATOM 0 H ALA A 383 -6.018 -0.729 4.854 1.00 0.00 H new ATOM 0 HA ALA A 383 -7.809 -1.885 2.919 1.00 0.00 H new ATOM 0 HB1 ALA A 383 -9.423 -1.676 4.832 1.00 0.00 H new ATOM 0 HB2 ALA A 383 -7.836 -2.234 5.414 1.00 0.00 H new ATOM 0 HB3 ALA A 383 -8.317 -0.535 5.634 1.00 0.00 H new ATOM 289 N ASN A 384 -8.096 1.362 3.167 1.00 0.00 N ATOM 290 CA ASN A 384 -8.807 2.525 2.549 1.00 0.00 C ATOM 291 C ASN A 384 -7.803 3.535 1.946 1.00 0.00 C ATOM 292 O ASN A 384 -8.110 4.704 1.840 1.00 0.00 O ATOM 293 CB ASN A 384 -9.583 3.190 3.694 1.00 0.00 C ATOM 294 CG ASN A 384 -10.461 2.157 4.417 1.00 0.00 C ATOM 295 OD1 ASN A 384 -9.924 1.353 5.304 1.00 0.00 O flip ATOM 296 ND2 ASN A 384 -11.649 2.078 4.171 1.00 0.00 N flip ATOM 0 H ASN A 384 -7.283 1.605 3.733 1.00 0.00 H new ATOM 0 HA ASN A 384 -9.459 2.199 1.739 1.00 0.00 H new ATOM 0 HB2 ASN A 384 -8.886 3.642 4.400 1.00 0.00 H new ATOM 0 HB3 ASN A 384 -10.205 3.994 3.301 1.00 0.00 H new ATOM 0 HD21 ASN A 384 -12.070 2.701 3.482 1.00 0.00 H new ATOM 0 HD22 ASN A 384 -12.225 1.388 4.654 1.00 0.00 H new ATOM 303 N CYS A 385 -6.606 3.110 1.566 1.00 0.00 N ATOM 304 CA CYS A 385 -5.596 4.083 0.988 1.00 0.00 C ATOM 305 C CYS A 385 -6.210 4.903 -0.169 1.00 0.00 C ATOM 306 O CYS A 385 -6.161 4.490 -1.311 1.00 0.00 O ATOM 307 CB CYS A 385 -4.433 3.224 0.458 1.00 0.00 C ATOM 308 SG CYS A 385 -3.090 4.290 -0.121 1.00 0.00 S ATOM 0 H CYS A 385 -6.287 2.143 1.630 1.00 0.00 H new ATOM 0 HA CYS A 385 -5.268 4.795 1.746 1.00 0.00 H new ATOM 0 HB2 CYS A 385 -4.070 2.563 1.245 1.00 0.00 H new ATOM 0 HB3 CYS A 385 -4.781 2.589 -0.356 1.00 0.00 H new ATOM 313 N TYR A 386 -6.792 6.052 0.115 1.00 0.00 N ATOM 314 CA TYR A 386 -7.415 6.875 -0.982 1.00 0.00 C ATOM 315 C TYR A 386 -6.340 7.399 -1.962 1.00 0.00 C ATOM 316 O TYR A 386 -6.581 7.488 -3.150 1.00 0.00 O ATOM 317 CB TYR A 386 -8.166 8.041 -0.285 1.00 0.00 C ATOM 318 CG TYR A 386 -7.192 9.088 0.231 1.00 0.00 C ATOM 319 CD1 TYR A 386 -6.694 10.074 -0.657 1.00 0.00 C ATOM 320 CD2 TYR A 386 -6.772 9.078 1.591 1.00 0.00 C ATOM 321 CE1 TYR A 386 -5.782 11.054 -0.193 1.00 0.00 C ATOM 322 CE2 TYR A 386 -5.851 10.062 2.064 1.00 0.00 C ATOM 323 CZ TYR A 386 -5.360 11.051 1.163 1.00 0.00 C ATOM 324 OH TYR A 386 -4.473 12.010 1.602 1.00 0.00 O ATOM 0 H TYR A 386 -6.862 6.452 1.050 1.00 0.00 H new ATOM 0 HA TYR A 386 -8.103 6.277 -1.580 1.00 0.00 H new ATOM 0 HB2 TYR A 386 -8.861 8.501 -0.987 1.00 0.00 H new ATOM 0 HB3 TYR A 386 -8.759 7.652 0.543 1.00 0.00 H new ATOM 0 HD1 TYR A 386 -7.010 10.078 -1.690 1.00 0.00 H new ATOM 0 HD2 TYR A 386 -7.150 8.325 2.266 1.00 0.00 H new ATOM 0 HE1 TYR A 386 -5.407 11.805 -0.872 1.00 0.00 H new ATOM 0 HE2 TYR A 386 -5.530 10.057 3.095 1.00 0.00 H new ATOM 0 HH TYR A 386 -4.934 12.632 2.203 1.00 0.00 H new ATOM 334 N ARG A 387 -5.164 7.759 -1.479 1.00 0.00 N ATOM 335 CA ARG A 387 -4.109 8.288 -2.422 1.00 0.00 C ATOM 336 C ARG A 387 -3.673 7.189 -3.409 1.00 0.00 C ATOM 337 O ARG A 387 -3.921 6.019 -3.182 1.00 0.00 O ATOM 338 CB ARG A 387 -2.924 8.769 -1.559 1.00 0.00 C ATOM 339 CG ARG A 387 -2.272 7.594 -0.823 1.00 0.00 C ATOM 340 CD ARG A 387 -0.954 8.063 -0.189 1.00 0.00 C ATOM 341 NE ARG A 387 0.007 8.300 -1.329 1.00 0.00 N ATOM 342 CZ ARG A 387 1.038 9.123 -1.195 1.00 0.00 C ATOM 343 NH1 ARG A 387 1.291 9.729 -0.058 1.00 0.00 N ATOM 344 NH2 ARG A 387 1.837 9.329 -2.211 1.00 0.00 N ATOM 0 H ARG A 387 -4.893 7.712 -0.497 1.00 0.00 H new ATOM 0 HA ARG A 387 -4.497 9.114 -3.018 1.00 0.00 H new ATOM 0 HB2 ARG A 387 -2.186 9.263 -2.191 1.00 0.00 H new ATOM 0 HB3 ARG A 387 -3.271 9.508 -0.837 1.00 0.00 H new ATOM 0 HG2 ARG A 387 -2.944 7.213 -0.054 1.00 0.00 H new ATOM 0 HG3 ARG A 387 -2.084 6.774 -1.516 1.00 0.00 H new ATOM 0 HD2 ARG A 387 -1.104 8.975 0.389 1.00 0.00 H new ATOM 0 HD3 ARG A 387 -0.564 7.311 0.498 1.00 0.00 H new ATOM 0 HE ARG A 387 -0.139 7.819 -2.217 1.00 0.00 H new ATOM 0 HH11 ARG A 387 0.688 9.571 0.749 1.00 0.00 H new ATOM 0 HH12 ARG A 387 2.091 10.357 0.018 1.00 0.00 H new ATOM 0 HH21 ARG A 387 1.665 8.858 -3.099 1.00 0.00 H new ATOM 0 HH22 ARG A 387 2.632 9.961 -2.115 1.00 0.00 H new ATOM 358 N LYS A 388 -3.046 7.552 -4.512 1.00 0.00 N ATOM 359 CA LYS A 388 -2.630 6.514 -5.508 1.00 0.00 C ATOM 360 C LYS A 388 -1.414 6.978 -6.333 1.00 0.00 C ATOM 361 O LYS A 388 -1.564 7.499 -7.424 1.00 0.00 O ATOM 362 CB LYS A 388 -3.858 6.340 -6.416 1.00 0.00 C ATOM 363 CG LYS A 388 -4.230 7.682 -7.076 1.00 0.00 C ATOM 364 CD LYS A 388 -5.610 8.143 -6.600 1.00 0.00 C ATOM 365 CE LYS A 388 -6.694 7.457 -7.433 1.00 0.00 C ATOM 366 NZ LYS A 388 -7.895 8.329 -7.298 1.00 0.00 N ATOM 0 H LYS A 388 -2.809 8.513 -4.759 1.00 0.00 H new ATOM 0 HA LYS A 388 -2.327 5.586 -5.023 1.00 0.00 H new ATOM 0 HB2 LYS A 388 -3.648 5.595 -7.184 1.00 0.00 H new ATOM 0 HB3 LYS A 388 -4.700 5.968 -5.833 1.00 0.00 H new ATOM 0 HG2 LYS A 388 -3.482 8.436 -6.830 1.00 0.00 H new ATOM 0 HG3 LYS A 388 -4.229 7.574 -8.161 1.00 0.00 H new ATOM 0 HD2 LYS A 388 -5.741 7.903 -5.545 1.00 0.00 H new ATOM 0 HD3 LYS A 388 -5.696 9.226 -6.694 1.00 0.00 H new ATOM 0 HE2 LYS A 388 -6.390 7.363 -8.476 1.00 0.00 H new ATOM 0 HE3 LYS A 388 -6.894 6.450 -7.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 -8.682 7.923 -7.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 -8.166 8.395 -6.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 -7.677 9.279 -7.661 1.00 0.00 H new ATOM 380 N ASN A 389 -0.207 6.793 -5.840 1.00 0.00 N ATOM 381 CA ASN A 389 0.992 7.230 -6.633 1.00 0.00 C ATOM 382 C ASN A 389 1.673 6.015 -7.287 1.00 0.00 C ATOM 383 O ASN A 389 1.408 4.889 -6.912 1.00 0.00 O ATOM 384 CB ASN A 389 1.939 7.895 -5.624 1.00 0.00 C ATOM 385 CG ASN A 389 1.748 9.417 -5.662 1.00 0.00 C ATOM 386 OD1 ASN A 389 0.699 9.895 -6.045 1.00 0.00 O ATOM 387 ND2 ASN A 389 2.720 10.209 -5.280 1.00 0.00 N ATOM 0 H ASN A 389 -0.002 6.365 -4.937 1.00 0.00 H new ATOM 0 HA ASN A 389 0.716 7.914 -7.436 1.00 0.00 H new ATOM 0 HB2 ASN A 389 1.740 7.519 -4.621 1.00 0.00 H new ATOM 0 HB3 ASN A 389 2.973 7.642 -5.860 1.00 0.00 H new ATOM 0 HD21 ASN A 389 2.593 11.221 -5.305 1.00 0.00 H new ATOM 0 HD22 ASN A 389 3.603 9.814 -4.957 1.00 0.00 H new ATOM 394 N PRO A 390 2.536 6.277 -8.250 1.00 0.00 N ATOM 395 CA PRO A 390 3.253 5.174 -8.947 1.00 0.00 C ATOM 396 C PRO A 390 4.400 4.616 -8.071 1.00 0.00 C ATOM 397 O PRO A 390 4.720 3.452 -8.146 1.00 0.00 O ATOM 398 CB PRO A 390 3.820 5.848 -10.194 1.00 0.00 C ATOM 399 CG PRO A 390 3.955 7.294 -9.834 1.00 0.00 C ATOM 400 CD PRO A 390 2.925 7.598 -8.776 1.00 0.00 C ATOM 0 HA PRO A 390 2.603 4.328 -9.171 1.00 0.00 H new ATOM 0 HB2 PRO A 390 4.784 5.419 -10.469 1.00 0.00 H new ATOM 0 HB3 PRO A 390 3.157 5.716 -11.049 1.00 0.00 H new ATOM 0 HG2 PRO A 390 4.958 7.504 -9.463 1.00 0.00 H new ATOM 0 HG3 PRO A 390 3.801 7.923 -10.711 1.00 0.00 H new ATOM 0 HD2 PRO A 390 3.337 8.232 -7.991 1.00 0.00 H new ATOM 0 HD3 PRO A 390 2.069 8.126 -9.196 1.00 0.00 H new ATOM 408 N VAL A 391 5.000 5.433 -7.224 1.00 0.00 N ATOM 409 CA VAL A 391 6.097 4.932 -6.325 1.00 0.00 C ATOM 410 C VAL A 391 5.562 4.594 -4.909 1.00 0.00 C ATOM 411 O VAL A 391 6.150 3.800 -4.200 1.00 0.00 O ATOM 412 CB VAL A 391 7.130 6.059 -6.249 1.00 0.00 C ATOM 413 CG1 VAL A 391 8.303 5.628 -5.364 1.00 0.00 C ATOM 414 CG2 VAL A 391 7.649 6.376 -7.653 1.00 0.00 C ATOM 0 H VAL A 391 4.776 6.423 -7.119 1.00 0.00 H new ATOM 0 HA VAL A 391 6.529 4.012 -6.719 1.00 0.00 H new ATOM 0 HB VAL A 391 6.659 6.945 -5.823 1.00 0.00 H new ATOM 0 HG11 VAL A 391 9.036 6.434 -5.313 1.00 0.00 H new ATOM 0 HG12 VAL A 391 7.939 5.404 -4.361 1.00 0.00 H new ATOM 0 HG13 VAL A 391 8.770 4.739 -5.787 1.00 0.00 H new ATOM 0 HG21 VAL A 391 8.384 7.179 -7.596 1.00 0.00 H new ATOM 0 HG22 VAL A 391 8.114 5.487 -8.078 1.00 0.00 H new ATOM 0 HG23 VAL A 391 6.818 6.689 -8.286 1.00 0.00 H new ATOM 424 N HIS A 392 4.463 5.196 -4.485 1.00 0.00 N ATOM 425 CA HIS A 392 3.910 4.911 -3.110 1.00 0.00 C ATOM 426 C HIS A 392 3.624 3.408 -2.958 1.00 0.00 C ATOM 427 O HIS A 392 3.865 2.836 -1.912 1.00 0.00 O ATOM 428 CB HIS A 392 2.613 5.744 -3.016 1.00 0.00 C ATOM 429 CG HIS A 392 1.808 5.355 -1.809 1.00 0.00 C ATOM 430 ND1 HIS A 392 1.916 6.012 -0.594 1.00 0.00 N ATOM 431 CD2 HIS A 392 0.864 4.384 -1.633 1.00 0.00 C ATOM 432 CE1 HIS A 392 1.048 5.430 0.254 1.00 0.00 C ATOM 433 NE2 HIS A 392 0.380 4.432 -0.332 1.00 0.00 N ATOM 0 H HIS A 392 3.927 5.871 -5.031 1.00 0.00 H new ATOM 0 HA HIS A 392 4.608 5.175 -2.315 1.00 0.00 H new ATOM 0 HB2 HIS A 392 2.861 6.804 -2.966 1.00 0.00 H new ATOM 0 HB3 HIS A 392 2.017 5.598 -3.917 1.00 0.00 H new ATOM 0 HD1 HIS A 392 2.538 6.792 -0.382 1.00 0.00 H new ATOM 0 HD2 HIS A 392 0.542 3.685 -2.391 1.00 0.00 H new ATOM 0 HE1 HIS A 392 0.909 5.732 1.281 1.00 0.00 H new ATOM 441 N PHE A 393 3.148 2.755 -4.001 1.00 0.00 N ATOM 442 CA PHE A 393 2.899 1.275 -3.891 1.00 0.00 C ATOM 443 C PHE A 393 4.221 0.574 -3.528 1.00 0.00 C ATOM 444 O PHE A 393 4.226 -0.418 -2.823 1.00 0.00 O ATOM 445 CB PHE A 393 2.398 0.801 -5.265 1.00 0.00 C ATOM 446 CG PHE A 393 0.933 1.137 -5.412 1.00 0.00 C ATOM 447 CD1 PHE A 393 -0.005 0.659 -4.457 1.00 0.00 C ATOM 448 CD2 PHE A 393 0.492 1.931 -6.504 1.00 0.00 C ATOM 449 CE1 PHE A 393 -1.383 0.977 -4.595 1.00 0.00 C ATOM 450 CE2 PHE A 393 -0.886 2.248 -6.642 1.00 0.00 C ATOM 451 CZ PHE A 393 -1.824 1.770 -5.688 1.00 0.00 C ATOM 0 H PHE A 393 2.926 3.173 -4.905 1.00 0.00 H new ATOM 0 HA PHE A 393 2.163 1.043 -3.121 1.00 0.00 H new ATOM 0 HB2 PHE A 393 2.973 1.279 -6.058 1.00 0.00 H new ATOM 0 HB3 PHE A 393 2.547 -0.274 -5.367 1.00 0.00 H new ATOM 0 HD1 PHE A 393 0.329 0.054 -3.627 1.00 0.00 H new ATOM 0 HD2 PHE A 393 1.205 2.294 -7.230 1.00 0.00 H new ATOM 0 HE1 PHE A 393 -2.096 0.616 -3.868 1.00 0.00 H new ATOM 0 HE2 PHE A 393 -1.221 2.852 -7.472 1.00 0.00 H new ATOM 0 HZ PHE A 393 -2.872 2.009 -5.794 1.00 0.00 H new ATOM 461 N GLN A 394 5.346 1.083 -4.007 1.00 0.00 N ATOM 462 CA GLN A 394 6.652 0.417 -3.670 1.00 0.00 C ATOM 463 C GLN A 394 7.055 0.729 -2.217 1.00 0.00 C ATOM 464 O GLN A 394 7.645 -0.100 -1.553 1.00 0.00 O ATOM 465 CB GLN A 394 7.709 0.965 -4.641 1.00 0.00 C ATOM 466 CG GLN A 394 7.510 0.347 -6.030 1.00 0.00 C ATOM 467 CD GLN A 394 6.763 1.340 -6.924 1.00 0.00 C ATOM 468 OE1 GLN A 394 7.376 2.162 -7.572 1.00 0.00 O ATOM 469 NE2 GLN A 394 5.456 1.296 -6.999 1.00 0.00 N ATOM 0 H GLN A 394 5.413 1.909 -4.601 1.00 0.00 H new ATOM 0 HA GLN A 394 6.564 -0.665 -3.765 1.00 0.00 H new ATOM 0 HB2 GLN A 394 7.632 2.051 -4.702 1.00 0.00 H new ATOM 0 HB3 GLN A 394 8.709 0.737 -4.271 1.00 0.00 H new ATOM 0 HG2 GLN A 394 8.475 0.098 -6.471 1.00 0.00 H new ATOM 0 HG3 GLN A 394 6.947 -0.583 -5.950 1.00 0.00 H new ATOM 0 HE21 GLN A 394 4.937 0.606 -6.456 1.00 0.00 H new ATOM 0 HE22 GLN A 394 4.957 1.951 -7.601 1.00 0.00 H new ATOM 478 N HIS A 395 6.765 1.917 -1.720 1.00 0.00 N ATOM 479 CA HIS A 395 7.167 2.256 -0.303 1.00 0.00 C ATOM 480 C HIS A 395 6.267 1.552 0.735 1.00 0.00 C ATOM 481 O HIS A 395 6.708 1.269 1.834 1.00 0.00 O ATOM 482 CB HIS A 395 7.026 3.780 -0.165 1.00 0.00 C ATOM 483 CG HIS A 395 8.268 4.457 -0.679 1.00 0.00 C ATOM 484 ND1 HIS A 395 8.713 5.665 -0.163 1.00 0.00 N ATOM 485 CD2 HIS A 395 9.163 4.120 -1.665 1.00 0.00 C ATOM 486 CE1 HIS A 395 9.827 6.008 -0.835 1.00 0.00 C ATOM 487 NE2 HIS A 395 10.145 5.101 -1.762 1.00 0.00 N ATOM 0 H HIS A 395 6.275 2.657 -2.223 1.00 0.00 H new ATOM 0 HA HIS A 395 8.186 1.919 -0.113 1.00 0.00 H new ATOM 0 HB2 HIS A 395 6.155 4.126 -0.723 1.00 0.00 H new ATOM 0 HB3 HIS A 395 6.862 4.046 0.879 1.00 0.00 H new ATOM 0 HD2 HIS A 395 9.112 3.229 -2.273 1.00 0.00 H new ATOM 0 HE1 HIS A 395 10.395 6.907 -0.648 1.00 0.00 H new ATOM 0 HE2 HIS A 395 10.938 5.123 -2.404 1.00 0.00 H new ATOM 496 N PHE A 396 5.014 1.280 0.421 1.00 0.00 N ATOM 497 CA PHE A 396 4.118 0.613 1.424 1.00 0.00 C ATOM 498 C PHE A 396 3.351 -0.555 0.778 1.00 0.00 C ATOM 499 O PHE A 396 2.924 -0.467 -0.358 1.00 0.00 O ATOM 500 CB PHE A 396 3.128 1.700 1.872 1.00 0.00 C ATOM 501 CG PHE A 396 3.866 2.914 2.401 1.00 0.00 C ATOM 502 CD1 PHE A 396 4.226 3.967 1.515 1.00 0.00 C ATOM 503 CD2 PHE A 396 4.189 3.009 3.783 1.00 0.00 C ATOM 504 CE1 PHE A 396 4.909 5.111 2.010 1.00 0.00 C ATOM 505 CE2 PHE A 396 4.870 4.156 4.276 1.00 0.00 C ATOM 506 CZ PHE A 396 5.230 5.206 3.389 1.00 0.00 C ATOM 0 H PHE A 396 4.580 1.490 -0.478 1.00 0.00 H new ATOM 0 HA PHE A 396 4.689 0.202 2.257 1.00 0.00 H new ATOM 0 HB2 PHE A 396 2.495 1.990 1.033 1.00 0.00 H new ATOM 0 HB3 PHE A 396 2.470 1.303 2.645 1.00 0.00 H new ATOM 0 HD1 PHE A 396 3.980 3.897 0.466 1.00 0.00 H new ATOM 0 HD2 PHE A 396 3.917 2.211 4.458 1.00 0.00 H new ATOM 0 HE1 PHE A 396 5.184 5.909 1.336 1.00 0.00 H new ATOM 0 HE2 PHE A 396 5.114 4.229 5.326 1.00 0.00 H new ATOM 0 HZ PHE A 396 5.748 6.076 3.764 1.00 0.00 H new ATOM 516 N SER A 397 3.142 -1.636 1.505 1.00 0.00 N ATOM 517 CA SER A 397 2.370 -2.789 0.941 1.00 0.00 C ATOM 518 C SER A 397 0.883 -2.492 1.116 1.00 0.00 C ATOM 519 O SER A 397 0.521 -1.544 1.790 1.00 0.00 O ATOM 520 CB SER A 397 2.763 -4.034 1.759 1.00 0.00 C ATOM 521 OG SER A 397 4.134 -4.334 1.532 1.00 0.00 O ATOM 0 H SER A 397 3.474 -1.765 2.461 1.00 0.00 H new ATOM 0 HA SER A 397 2.581 -2.951 -0.116 1.00 0.00 H new ATOM 0 HB2 SER A 397 2.589 -3.855 2.820 1.00 0.00 H new ATOM 0 HB3 SER A 397 2.141 -4.882 1.472 1.00 0.00 H new ATOM 0 HG SER A 397 4.416 -5.053 2.135 1.00 0.00 H new ATOM 527 N HIS A 398 0.014 -3.276 0.533 1.00 0.00 N ATOM 528 CA HIS A 398 -1.446 -3.015 0.693 1.00 0.00 C ATOM 529 C HIS A 398 -2.200 -4.350 0.759 1.00 0.00 C ATOM 530 O HIS A 398 -1.698 -5.350 0.279 1.00 0.00 O ATOM 531 CB HIS A 398 -1.857 -2.229 -0.557 1.00 0.00 C ATOM 532 CG HIS A 398 -1.287 -0.834 -0.506 1.00 0.00 C ATOM 533 ND1 HIS A 398 -0.067 -0.509 -1.083 1.00 0.00 N ATOM 534 CD2 HIS A 398 -1.766 0.335 0.036 1.00 0.00 C ATOM 535 CE1 HIS A 398 0.145 0.805 -0.874 1.00 0.00 C ATOM 536 NE2 HIS A 398 -0.861 1.367 -0.198 1.00 0.00 N ATOM 0 H HIS A 398 0.251 -4.082 -0.045 1.00 0.00 H new ATOM 0 HA HIS A 398 -1.673 -2.463 1.605 1.00 0.00 H new ATOM 0 HB2 HIS A 398 -1.502 -2.742 -1.451 1.00 0.00 H new ATOM 0 HB3 HIS A 398 -2.944 -2.183 -0.626 1.00 0.00 H new ATOM 0 HD1 HIS A 398 0.556 -1.149 -1.576 1.00 0.00 H new ATOM 0 HD2 HIS A 398 -2.703 0.437 0.564 1.00 0.00 H new ATOM 0 HE1 HIS A 398 1.021 1.339 -1.212 1.00 0.00 H new ATOM 544 N PRO A 399 -3.381 -4.344 1.335 1.00 0.00 N ATOM 545 CA PRO A 399 -4.164 -5.602 1.417 1.00 0.00 C ATOM 546 C PRO A 399 -4.505 -6.061 -0.006 1.00 0.00 C ATOM 547 O PRO A 399 -4.815 -5.247 -0.856 1.00 0.00 O ATOM 548 CB PRO A 399 -5.401 -5.205 2.226 1.00 0.00 C ATOM 549 CG PRO A 399 -5.516 -3.727 2.042 1.00 0.00 C ATOM 550 CD PRO A 399 -4.105 -3.209 1.931 1.00 0.00 C ATOM 0 HA PRO A 399 -3.644 -6.437 1.887 1.00 0.00 H new ATOM 0 HB2 PRO A 399 -6.292 -5.719 1.866 1.00 0.00 H new ATOM 0 HB3 PRO A 399 -5.286 -5.465 3.278 1.00 0.00 H new ATOM 0 HG2 PRO A 399 -6.090 -3.489 1.146 1.00 0.00 H new ATOM 0 HG3 PRO A 399 -6.034 -3.269 2.884 1.00 0.00 H new ATOM 0 HD2 PRO A 399 -4.050 -2.320 1.302 1.00 0.00 H new ATOM 0 HD3 PRO A 399 -3.697 -2.937 2.905 1.00 0.00 H new ATOM 558 N GLY A 400 -4.430 -7.345 -0.290 1.00 0.00 N ATOM 559 CA GLY A 400 -4.729 -7.810 -1.678 1.00 0.00 C ATOM 560 C GLY A 400 -3.428 -7.986 -2.502 1.00 0.00 C ATOM 561 O GLY A 400 -3.485 -8.410 -3.642 1.00 0.00 O ATOM 0 H GLY A 400 -4.178 -8.078 0.373 1.00 0.00 H new ATOM 0 HA2 GLY A 400 -5.269 -8.756 -1.639 1.00 0.00 H new ATOM 0 HA3 GLY A 400 -5.382 -7.091 -2.173 1.00 0.00 H new ATOM 565 N ASP A 401 -2.256 -7.700 -1.946 1.00 0.00 N ATOM 566 CA ASP A 401 -1.006 -7.895 -2.714 1.00 0.00 C ATOM 567 C ASP A 401 -0.188 -8.980 -2.027 1.00 0.00 C ATOM 568 O ASP A 401 -0.540 -9.426 -0.949 1.00 0.00 O ATOM 569 CB ASP A 401 -0.268 -6.559 -2.667 1.00 0.00 C ATOM 570 CG ASP A 401 -0.592 -5.753 -3.924 1.00 0.00 C ATOM 571 OD1 ASP A 401 -0.580 -6.336 -4.997 1.00 0.00 O ATOM 572 OD2 ASP A 401 -0.847 -4.568 -3.795 1.00 0.00 O ATOM 0 H ASP A 401 -2.133 -7.343 -0.998 1.00 0.00 H new ATOM 0 HA ASP A 401 -1.187 -8.198 -3.745 1.00 0.00 H new ATOM 0 HB2 ASP A 401 -0.562 -6.000 -1.778 1.00 0.00 H new ATOM 0 HB3 ASP A 401 0.807 -6.727 -2.597 1.00 0.00 H new ATOM 577 N SER A 402 0.895 -9.407 -2.617 1.00 0.00 N ATOM 578 CA SER A 402 1.712 -10.464 -1.948 1.00 0.00 C ATOM 579 C SER A 402 2.503 -9.864 -0.778 1.00 0.00 C ATOM 580 O SER A 402 2.796 -10.553 0.181 1.00 0.00 O ATOM 581 CB SER A 402 2.669 -11.019 -3.005 1.00 0.00 C ATOM 582 OG SER A 402 3.658 -10.041 -3.313 1.00 0.00 O ATOM 0 H SER A 402 1.246 -9.079 -3.516 1.00 0.00 H new ATOM 0 HA SER A 402 1.076 -11.252 -1.545 1.00 0.00 H new ATOM 0 HB2 SER A 402 3.144 -11.929 -2.638 1.00 0.00 H new ATOM 0 HB3 SER A 402 2.116 -11.288 -3.905 1.00 0.00 H new ATOM 0 HG SER A 402 4.250 -9.920 -2.541 1.00 0.00 H new ATOM 588 N ASP A 403 2.910 -8.611 -0.859 1.00 0.00 N ATOM 589 CA ASP A 403 3.751 -8.031 0.250 1.00 0.00 C ATOM 590 C ASP A 403 2.945 -7.580 1.478 1.00 0.00 C ATOM 591 O ASP A 403 3.549 -7.177 2.454 1.00 0.00 O ATOM 592 CB ASP A 403 4.480 -6.824 -0.362 1.00 0.00 C ATOM 593 CG ASP A 403 5.501 -7.311 -1.396 1.00 0.00 C ATOM 594 OD1 ASP A 403 5.232 -8.313 -2.038 1.00 0.00 O ATOM 595 OD2 ASP A 403 6.533 -6.675 -1.527 1.00 0.00 O ATOM 0 H ASP A 403 2.701 -7.976 -1.629 1.00 0.00 H new ATOM 0 HA ASP A 403 4.426 -8.802 0.621 1.00 0.00 H new ATOM 0 HB2 ASP A 403 3.762 -6.153 -0.833 1.00 0.00 H new ATOM 0 HB3 ASP A 403 4.982 -6.255 0.420 1.00 0.00 H new ATOM 600 N TYR A 404 1.612 -7.601 1.462 1.00 0.00 N ATOM 601 CA TYR A 404 0.829 -7.130 2.687 1.00 0.00 C ATOM 602 C TYR A 404 1.489 -7.623 3.990 1.00 0.00 C ATOM 603 O TYR A 404 1.644 -8.812 4.201 1.00 0.00 O ATOM 604 CB TYR A 404 -0.578 -7.735 2.564 1.00 0.00 C ATOM 605 CG TYR A 404 -1.555 -6.991 3.453 1.00 0.00 C ATOM 606 CD1 TYR A 404 -1.587 -5.567 3.460 1.00 0.00 C ATOM 607 CD2 TYR A 404 -2.454 -7.721 4.278 1.00 0.00 C ATOM 608 CE1 TYR A 404 -2.514 -4.879 4.289 1.00 0.00 C ATOM 609 CE2 TYR A 404 -3.380 -7.032 5.109 1.00 0.00 C ATOM 610 CZ TYR A 404 -3.410 -5.612 5.114 1.00 0.00 C ATOM 611 OH TYR A 404 -4.311 -4.943 5.918 1.00 0.00 O ATOM 0 H TYR A 404 1.043 -7.915 0.676 1.00 0.00 H new ATOM 0 HA TYR A 404 0.803 -6.041 2.726 1.00 0.00 H new ATOM 0 HB2 TYR A 404 -0.911 -7.687 1.527 1.00 0.00 H new ATOM 0 HB3 TYR A 404 -0.553 -8.788 2.843 1.00 0.00 H new ATOM 0 HD1 TYR A 404 -0.906 -5.009 2.834 1.00 0.00 H new ATOM 0 HD2 TYR A 404 -2.434 -8.801 4.274 1.00 0.00 H new ATOM 0 HE1 TYR A 404 -2.538 -3.799 4.292 1.00 0.00 H new ATOM 0 HE2 TYR A 404 -4.060 -7.589 5.736 1.00 0.00 H new ATOM 0 HH TYR A 404 -4.850 -5.592 6.416 1.00 0.00 H new ATOM 621 N GLY A 405 1.895 -6.714 4.853 1.00 0.00 N ATOM 622 CA GLY A 405 2.565 -7.148 6.125 1.00 0.00 C ATOM 623 C GLY A 405 2.821 -5.942 7.048 1.00 0.00 C ATOM 624 O GLY A 405 3.936 -5.474 7.168 1.00 0.00 O ATOM 0 H GLY A 405 1.793 -5.706 4.734 1.00 0.00 H new ATOM 0 HA2 GLY A 405 1.941 -7.879 6.639 1.00 0.00 H new ATOM 0 HA3 GLY A 405 3.509 -7.642 5.894 1.00 0.00 H new ATOM 628 N GLY A 406 1.796 -5.447 7.703 1.00 0.00 N ATOM 629 CA GLY A 406 1.991 -4.279 8.624 1.00 0.00 C ATOM 630 C GLY A 406 1.049 -4.357 9.835 1.00 0.00 C ATOM 631 O GLY A 406 1.497 -4.303 10.966 1.00 0.00 O ATOM 0 H GLY A 406 0.840 -5.798 7.641 1.00 0.00 H new ATOM 0 HA2 GLY A 406 3.025 -4.253 8.967 1.00 0.00 H new ATOM 0 HA3 GLY A 406 1.812 -3.351 8.081 1.00 0.00 H new ATOM 635 N VAL A 407 -0.245 -4.467 9.620 1.00 0.00 N ATOM 636 CA VAL A 407 -1.186 -4.526 10.781 1.00 0.00 C ATOM 637 C VAL A 407 -1.901 -5.885 10.832 1.00 0.00 C ATOM 638 O VAL A 407 -3.105 -5.963 10.676 1.00 0.00 O ATOM 639 CB VAL A 407 -2.180 -3.376 10.560 1.00 0.00 C ATOM 640 CG1 VAL A 407 -3.010 -3.606 9.284 1.00 0.00 C ATOM 641 CG2 VAL A 407 -3.112 -3.282 11.772 1.00 0.00 C ATOM 0 H VAL A 407 -0.683 -4.518 8.700 1.00 0.00 H new ATOM 0 HA VAL A 407 -0.667 -4.422 11.734 1.00 0.00 H new ATOM 0 HB VAL A 407 -1.624 -2.446 10.442 1.00 0.00 H new ATOM 0 HG11 VAL A 407 -3.707 -2.779 9.149 1.00 0.00 H new ATOM 0 HG12 VAL A 407 -2.345 -3.664 8.423 1.00 0.00 H new ATOM 0 HG13 VAL A 407 -3.567 -4.538 9.376 1.00 0.00 H new ATOM 0 HG21 VAL A 407 -3.821 -2.468 11.623 1.00 0.00 H new ATOM 0 HG22 VAL A 407 -3.655 -4.220 11.887 1.00 0.00 H new ATOM 0 HG23 VAL A 407 -2.524 -3.091 12.670 1.00 0.00 H new ATOM 651 N GLN A 408 -1.170 -6.957 11.055 1.00 0.00 N ATOM 652 CA GLN A 408 -1.813 -8.301 11.121 1.00 0.00 C ATOM 653 C GLN A 408 -1.246 -9.097 12.308 1.00 0.00 C ATOM 654 O GLN A 408 -0.252 -9.785 12.173 1.00 0.00 O ATOM 655 CB GLN A 408 -1.455 -8.984 9.801 1.00 0.00 C ATOM 656 CG GLN A 408 -2.259 -8.355 8.659 1.00 0.00 C ATOM 657 CD GLN A 408 -1.396 -8.306 7.391 1.00 0.00 C ATOM 658 OE1 GLN A 408 -1.098 -7.152 6.846 1.00 0.00 O flip ATOM 659 NE2 GLN A 408 -0.987 -9.333 6.886 1.00 0.00 N flip ATOM 0 H GLN A 408 -0.159 -6.953 11.193 1.00 0.00 H new ATOM 0 HA GLN A 408 -2.892 -8.235 11.263 1.00 0.00 H new ATOM 0 HB2 GLN A 408 -0.387 -8.882 9.606 1.00 0.00 H new ATOM 0 HB3 GLN A 408 -1.668 -10.051 9.863 1.00 0.00 H new ATOM 0 HG2 GLN A 408 -3.163 -8.935 8.474 1.00 0.00 H new ATOM 0 HG3 GLN A 408 -2.576 -7.349 8.935 1.00 0.00 H new ATOM 0 HE21 GLN A 408 -1.216 -10.234 7.306 1.00 0.00 H new ATOM 0 HE22 GLN A 408 -0.415 -9.294 6.042 1.00 0.00 H new ATOM 668 N ILE A 409 -1.871 -9.016 13.465 1.00 0.00 N ATOM 669 CA ILE A 409 -1.356 -9.781 14.646 1.00 0.00 C ATOM 670 C ILE A 409 -2.239 -11.013 14.885 1.00 0.00 C ATOM 671 O ILE A 409 -2.906 -11.121 15.896 1.00 0.00 O ATOM 672 CB ILE A 409 -1.427 -8.814 15.839 1.00 0.00 C ATOM 673 CG1 ILE A 409 -0.610 -7.545 15.537 1.00 0.00 C ATOM 674 CG2 ILE A 409 -0.870 -9.497 17.092 1.00 0.00 C ATOM 675 CD1 ILE A 409 0.858 -7.904 15.276 1.00 0.00 C ATOM 0 H ILE A 409 -2.707 -8.458 13.639 1.00 0.00 H new ATOM 0 HA ILE A 409 -0.337 -10.136 14.494 1.00 0.00 H new ATOM 0 HB ILE A 409 -2.467 -8.537 16.010 1.00 0.00 H new ATOM 0 HG12 ILE A 409 -1.026 -7.035 14.668 1.00 0.00 H new ATOM 0 HG13 ILE A 409 -0.678 -6.853 16.376 1.00 0.00 H new ATOM 0 HG21 ILE A 409 -0.922 -8.808 17.935 1.00 0.00 H new ATOM 0 HG22 ILE A 409 -1.459 -10.387 17.313 1.00 0.00 H new ATOM 0 HG23 ILE A 409 0.168 -9.782 16.920 1.00 0.00 H new ATOM 0 HD11 ILE A 409 1.422 -6.996 15.064 1.00 0.00 H new ATOM 0 HD12 ILE A 409 1.275 -8.393 16.156 1.00 0.00 H new ATOM 0 HD13 ILE A 409 0.921 -8.578 14.422 1.00 0.00 H new ATOM 687 N VAL A 410 -2.239 -11.947 13.961 1.00 0.00 N ATOM 688 CA VAL A 410 -3.066 -13.179 14.134 1.00 0.00 C ATOM 689 C VAL A 410 -2.128 -14.381 14.308 1.00 0.00 C ATOM 690 O VAL A 410 -1.896 -15.130 13.378 1.00 0.00 O ATOM 691 CB VAL A 410 -3.881 -13.309 12.842 1.00 0.00 C ATOM 692 CG1 VAL A 410 -4.768 -14.555 12.918 1.00 0.00 C ATOM 693 CG2 VAL A 410 -4.761 -12.066 12.661 1.00 0.00 C ATOM 0 H VAL A 410 -1.701 -11.906 13.096 1.00 0.00 H new ATOM 0 HA VAL A 410 -3.719 -13.134 15.006 1.00 0.00 H new ATOM 0 HB VAL A 410 -3.201 -13.398 11.995 1.00 0.00 H new ATOM 0 HG11 VAL A 410 -5.347 -14.646 11.999 1.00 0.00 H new ATOM 0 HG12 VAL A 410 -4.143 -15.439 13.043 1.00 0.00 H new ATOM 0 HG13 VAL A 410 -5.446 -14.468 13.767 1.00 0.00 H new ATOM 0 HG21 VAL A 410 -5.339 -12.160 11.742 1.00 0.00 H new ATOM 0 HG22 VAL A 410 -5.440 -11.974 13.509 1.00 0.00 H new ATOM 0 HG23 VAL A 410 -4.130 -11.179 12.603 1.00 0.00 H new ATOM 703 N GLY A 411 -1.563 -14.556 15.486 1.00 0.00 N ATOM 704 CA GLY A 411 -0.619 -15.688 15.696 1.00 0.00 C ATOM 705 C GLY A 411 0.767 -15.249 15.208 1.00 0.00 C ATOM 706 O GLY A 411 1.342 -15.864 14.330 1.00 0.00 O ATOM 0 H GLY A 411 -1.719 -13.963 16.301 1.00 0.00 H new ATOM 0 HA2 GLY A 411 -0.582 -15.962 16.750 1.00 0.00 H new ATOM 0 HA3 GLY A 411 -0.954 -16.569 15.149 1.00 0.00 H new ATOM 710 N GLN A 412 1.305 -14.175 15.760 1.00 0.00 N ATOM 711 CA GLN A 412 2.658 -13.694 15.297 1.00 0.00 C ATOM 712 C GLN A 412 3.697 -14.817 15.431 1.00 0.00 C ATOM 713 O GLN A 412 4.538 -14.990 14.570 1.00 0.00 O ATOM 714 CB GLN A 412 3.048 -12.499 16.193 1.00 0.00 C ATOM 715 CG GLN A 412 2.082 -11.319 15.974 1.00 0.00 C ATOM 716 CD GLN A 412 2.019 -10.941 14.483 1.00 0.00 C ATOM 717 OE1 GLN A 412 2.685 -10.020 14.054 1.00 0.00 O ATOM 718 NE2 GLN A 412 1.240 -11.617 13.672 1.00 0.00 N ATOM 0 H GLN A 412 0.874 -13.619 16.499 1.00 0.00 H new ATOM 0 HA GLN A 412 2.623 -13.397 14.249 1.00 0.00 H new ATOM 0 HB2 GLN A 412 3.030 -12.801 17.240 1.00 0.00 H new ATOM 0 HB3 GLN A 412 4.068 -12.187 15.969 1.00 0.00 H new ATOM 0 HG2 GLN A 412 1.087 -11.586 16.330 1.00 0.00 H new ATOM 0 HG3 GLN A 412 2.410 -10.460 16.559 1.00 0.00 H new ATOM 0 HE21 GLN A 412 0.680 -12.391 14.030 1.00 0.00 H new ATOM 0 HE22 GLN A 412 1.195 -11.369 12.684 1.00 0.00 H new ATOM 727 N ASP A 413 3.642 -15.591 16.496 1.00 0.00 N ATOM 728 CA ASP A 413 4.625 -16.703 16.661 1.00 0.00 C ATOM 729 C ASP A 413 3.906 -18.062 16.610 1.00 0.00 C ATOM 730 O ASP A 413 4.293 -18.993 17.291 1.00 0.00 O ATOM 731 CB ASP A 413 5.254 -16.480 18.037 1.00 0.00 C ATOM 732 CG ASP A 413 6.248 -15.320 17.962 1.00 0.00 C ATOM 733 OD1 ASP A 413 5.889 -14.293 17.411 1.00 0.00 O ATOM 734 OD2 ASP A 413 7.351 -15.478 18.458 1.00 0.00 O ATOM 0 H ASP A 413 2.961 -15.497 17.250 1.00 0.00 H new ATOM 0 HA ASP A 413 5.374 -16.710 15.869 1.00 0.00 H new ATOM 0 HB2 ASP A 413 4.479 -16.262 18.772 1.00 0.00 H new ATOM 0 HB3 ASP A 413 5.761 -17.386 18.368 1.00 0.00 H new ATOM 739 N GLU A 414 2.860 -18.195 15.807 1.00 0.00 N ATOM 740 CA GLU A 414 2.126 -19.502 15.723 1.00 0.00 C ATOM 741 C GLU A 414 1.754 -20.016 17.125 1.00 0.00 C ATOM 742 O GLU A 414 2.046 -21.146 17.471 1.00 0.00 O ATOM 743 CB GLU A 414 3.100 -20.465 15.038 1.00 0.00 C ATOM 744 CG GLU A 414 3.115 -20.188 13.535 1.00 0.00 C ATOM 745 CD GLU A 414 4.050 -21.181 12.841 1.00 0.00 C ATOM 746 OE1 GLU A 414 5.253 -21.005 12.947 1.00 0.00 O ATOM 747 OE2 GLU A 414 3.548 -22.100 12.216 1.00 0.00 O ATOM 0 H GLU A 414 2.490 -17.454 15.212 1.00 0.00 H new ATOM 0 HA GLU A 414 1.190 -19.404 15.172 1.00 0.00 H new ATOM 0 HB2 GLU A 414 4.101 -20.342 15.452 1.00 0.00 H new ATOM 0 HB3 GLU A 414 2.802 -21.496 15.226 1.00 0.00 H new ATOM 0 HG2 GLU A 414 2.108 -20.276 13.128 1.00 0.00 H new ATOM 0 HG3 GLU A 414 3.447 -19.167 13.346 1.00 0.00 H new ATOM 754 N THR A 415 1.114 -19.197 17.936 1.00 0.00 N ATOM 755 CA THR A 415 0.734 -19.651 19.305 1.00 0.00 C ATOM 756 C THR A 415 -0.794 -19.739 19.429 1.00 0.00 C ATOM 757 O THR A 415 -1.405 -18.993 20.173 1.00 0.00 O ATOM 758 CB THR A 415 1.300 -18.588 20.247 1.00 0.00 C ATOM 759 OG1 THR A 415 1.392 -17.345 19.562 1.00 0.00 O ATOM 760 CG2 THR A 415 2.688 -19.020 20.716 1.00 0.00 C ATOM 0 H THR A 415 0.843 -18.241 17.704 1.00 0.00 H new ATOM 0 HA THR A 415 1.123 -20.642 19.537 1.00 0.00 H new ATOM 0 HB THR A 415 0.642 -18.475 21.109 1.00 0.00 H new ATOM 0 HG1 THR A 415 1.753 -16.664 20.167 1.00 0.00 H new ATOM 0 HG21 THR A 415 3.096 -18.265 21.388 1.00 0.00 H new ATOM 0 HG22 THR A 415 2.615 -19.972 21.241 1.00 0.00 H new ATOM 0 HG23 THR A 415 3.345 -19.131 19.854 1.00 0.00 H new ATOM 768 N ASP A 416 -1.416 -20.648 18.708 1.00 0.00 N ATOM 769 CA ASP A 416 -2.900 -20.783 18.789 1.00 0.00 C ATOM 770 C ASP A 416 -3.276 -22.178 19.310 1.00 0.00 C ATOM 771 O ASP A 416 -3.604 -23.061 18.539 1.00 0.00 O ATOM 772 CB ASP A 416 -3.394 -20.594 17.355 1.00 0.00 C ATOM 773 CG ASP A 416 -3.316 -19.114 16.977 1.00 0.00 C ATOM 774 OD1 ASP A 416 -4.147 -18.358 17.452 1.00 0.00 O ATOM 775 OD2 ASP A 416 -2.427 -18.763 16.219 1.00 0.00 O ATOM 0 H ASP A 416 -0.956 -21.298 18.070 1.00 0.00 H new ATOM 0 HA ASP A 416 -3.345 -20.058 19.471 1.00 0.00 H new ATOM 0 HB2 ASP A 416 -2.788 -21.187 16.670 1.00 0.00 H new ATOM 0 HB3 ASP A 416 -4.420 -20.950 17.263 1.00 0.00 H new ATOM 780 N ASP A 417 -3.232 -22.388 20.611 1.00 0.00 N ATOM 781 CA ASP A 417 -3.589 -23.728 21.166 1.00 0.00 C ATOM 782 C ASP A 417 -4.385 -23.568 22.464 1.00 0.00 C ATOM 783 O ASP A 417 -3.809 -23.107 23.436 1.00 0.00 O ATOM 784 CB ASP A 417 -2.249 -24.412 21.439 1.00 0.00 C ATOM 785 CG ASP A 417 -2.384 -25.916 21.198 1.00 0.00 C ATOM 786 OD1 ASP A 417 -2.257 -26.328 20.056 1.00 0.00 O ATOM 787 OD2 ASP A 417 -2.612 -26.632 22.160 1.00 0.00 O ATOM 0 H ASP A 417 -2.965 -21.689 21.304 1.00 0.00 H new ATOM 0 HA ASP A 417 -4.211 -24.307 20.483 1.00 0.00 H new ATOM 0 HB2 ASP A 417 -1.478 -23.997 20.790 1.00 0.00 H new ATOM 0 HB3 ASP A 417 -1.936 -24.224 22.466 1.00 0.00 H new TER 792 ASP A 417 HETATM 793 ZN ZN A1001 -1.033 3.340 0.432 1.00 0.00 ZN HETATM 794 O5' ADN A1002 -5.750 13.610 9.385 1.00 0.00 O HETATM 795 C5' ADN A1002 -6.030 12.387 8.713 1.00 0.00 C HETATM 796 C4' ADN A1002 -5.014 12.146 7.621 1.00 0.00 C HETATM 797 O4' ADN A1002 -4.690 10.730 7.582 1.00 0.00 O HETATM 798 C3' ADN A1002 -5.488 12.480 6.212 1.00 0.00 C HETATM 799 O3' ADN A1002 -5.249 13.838 5.868 1.00 0.00 O HETATM 800 C2' ADN A1002 -4.652 11.537 5.357 1.00 0.00 C HETATM 801 O2' ADN A1002 -3.334 12.039 5.212 1.00 0.00 O HETATM 802 C1' ADN A1002 -4.630 10.290 6.236 1.00 0.00 C HETATM 803 N9 ADN A1002 -5.717 9.334 5.992 1.00 0.00 N HETATM 804 C8 ADN A1002 -6.920 9.229 6.655 1.00 0.00 C HETATM 805 N7 ADN A1002 -7.696 8.270 6.209 1.00 0.00 N HETATM 806 C5 ADN A1002 -6.962 7.700 5.182 1.00 0.00 C HETATM 807 C6 ADN A1002 -7.221 6.612 4.283 1.00 0.00 C HETATM 808 N6 ADN A1002 -8.349 5.896 4.300 1.00 0.00 N HETATM 809 N1 ADN A1002 -6.260 6.294 3.357 1.00 0.00 N HETATM 810 C2 ADN A1002 -5.108 7.021 3.332 1.00 0.00 C HETATM 811 N3 ADN A1002 -4.755 8.062 4.129 1.00 0.00 N HETATM 812 C4 ADN A1002 -5.733 8.349 5.034 1.00 0.00 C HETATM 0 HO5' ADN A1002 -6.416 13.756 10.089 1.00 0.00 H new HETATM 0 HO3' ADN A1002 -4.379 13.915 5.424 1.00 0.00 H new HETATM 0 HN62 ADN A1002 -8.479 5.133 3.636 1.00 0.00 H new HETATM 0 HN61 ADN A1002 -9.081 6.113 4.977 1.00 0.00 H new HETATM 0 H5'2 ADN A1002 -6.013 11.561 9.424 1.00 0.00 H new HETATM 0 H5'1 ADN A1002 -7.032 12.420 8.286 1.00 0.00 H new HETATM 0 H8 ADN A1002 -7.202 9.885 7.478 1.00 0.00 H new HETATM 0 H4' ADN A1002 -4.179 12.800 7.872 1.00 0.00 H new HETATM 0 H3' ADN A1002 -6.564 12.357 6.085 1.00 0.00 H new HETATM 0 H2' ADN A1002 -5.037 11.385 4.349 1.00 0.00 H new HETATM 0 H2 ADN A1002 -4.378 6.730 2.577 1.00 0.00 H new HETATM 0 H1' ADN A1002 -3.717 9.744 5.998 1.00 0.00 H new HETATM 825 O5' RIB A1003 -1.861 14.776 1.501 1.00 0.00 O HETATM 826 C5' RIB A1003 -1.052 13.606 1.430 1.00 0.00 C HETATM 827 C4' RIB A1003 -1.096 12.860 2.742 1.00 0.00 C HETATM 828 O4' RIB A1003 -2.382 13.083 3.380 1.00 0.00 O HETATM 829 C3' RIB A1003 -0.943 11.348 2.646 1.00 0.00 C HETATM 830 O3' RIB A1003 0.423 10.958 2.716 1.00 0.00 O HETATM 831 C2' RIB A1003 -1.741 10.847 3.844 1.00 0.00 C HETATM 832 O2' RIB A1003 -0.978 10.949 5.029 1.00 0.00 O HETATM 833 C1' RIB A1003 -2.886 11.860 3.881 1.00 0.00 C HETATM 0 HO5' RIB A1003 -2.619 14.613 2.100 1.00 0.00 H new HETATM 0 HO3' RIB A1003 0.679 10.830 3.653 1.00 0.00 H new HETATM 0 HO2' RIB A1003 -1.542 11.294 5.752 1.00 0.00 H new HETATM 0 H5'2 RIB A1003 -1.403 12.961 0.625 1.00 0.00 H new HETATM 0 H5'1 RIB A1003 -0.024 13.880 1.194 1.00 0.00 H new HETATM 0 H4' RIB A1003 -0.243 13.250 3.298 1.00 0.00 H new HETATM 0 H3' RIB A1003 -1.297 10.937 1.700 1.00 0.00 H new HETATM 0 H2' RIB A1003 -2.050 9.804 3.769 1.00 0.00 H new