USER MOD reduce.3.24.130724 H: found=0, std=0, add=392, rem=0, adj=18 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 404 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 408 GLN : amide:sc= -0.374 K(o=-0.37,f=-2.1!) USER MOD Set 2.1: A 380 MET CE :methyl 147:sc= -0.838 (180deg=-4.74!) USER MOD Set 2.2: A1003 RIB O2' : rot 139:sc= 0.446 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= -0.151 X(o=-0.15,f=-0.15) 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 378 SER OG : rot 180:sc= 0 USER MOD Single : A 381 TYR OH : rot 117:sc= 0.937 USER MOD Single : A 384 ASN :FLIP amide:sc= -0.364 F(o=-1.6,f=-0.36) USER MOD Single : A 386 TYR OH : rot 115:sc= -1.12 USER MOD Single : A 388 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 389 ASN : amide:sc= -0.0173 X(o=-0.017,f=-0.51) USER MOD Single : A 394 GLN : amide:sc= -1.26 K(o=-1.3,f=-2!) USER MOD Single : A 395 HIS :FLIP no HD1:sc= -0.304 F(o=-0.97,f=-0.3) USER MOD Single : A 397 SER OG : rot -100:sc= -1.68! USER MOD Single : A 402 SER OG : rot 180:sc= 0 USER MOD Single : A 412 GLN : amide:sc= -1.68! C(o=-1.7!,f=-1.7!) USER MOD Single : A 415 THR OG1 : rot -62:sc= 0.493 USER MOD Single : A1002 ADN O3' : rot 92:sc= 0.137 USER MOD Single : A1002 ADN O5' : rot 180:sc= 0 USER MOD Single : A1003 RIB O3' : rot 89:sc= 0.132 USER MOD Single : A1003 RIB O5' : rot -24:sc= 0.0816 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 363 9.693 10.069 -0.481 1.00 0.00 N ATOM 2 CA GLY A 363 10.978 10.811 -0.629 1.00 0.00 C ATOM 3 C GLY A 363 12.147 9.814 -0.642 1.00 0.00 C ATOM 4 O GLY A 363 12.829 9.660 0.351 1.00 0.00 O ATOM 0 HA2 GLY A 363 10.971 11.391 -1.552 1.00 0.00 H new ATOM 0 HA3 GLY A 363 11.098 11.518 0.192 1.00 0.00 H new ATOM 10 N PRO A 364 12.349 9.164 -1.771 1.00 0.00 N ATOM 11 CA PRO A 364 13.456 8.181 -1.880 1.00 0.00 C ATOM 12 C PRO A 364 14.811 8.903 -1.938 1.00 0.00 C ATOM 13 O PRO A 364 15.134 9.538 -2.926 1.00 0.00 O ATOM 14 CB PRO A 364 13.168 7.459 -3.193 1.00 0.00 C ATOM 15 CG PRO A 364 12.361 8.423 -4.001 1.00 0.00 C ATOM 16 CD PRO A 364 11.589 9.275 -3.028 1.00 0.00 C ATOM 0 HA PRO A 364 13.510 7.502 -1.029 1.00 0.00 H new ATOM 0 HB2 PRO A 364 14.092 7.192 -3.706 1.00 0.00 H new ATOM 0 HB3 PRO A 364 12.619 6.533 -3.021 1.00 0.00 H new ATOM 0 HG2 PRO A 364 13.008 9.040 -4.625 1.00 0.00 H new ATOM 0 HG3 PRO A 364 11.684 7.893 -4.671 1.00 0.00 H new ATOM 0 HD2 PRO A 364 11.527 10.309 -3.366 1.00 0.00 H new ATOM 0 HD3 PRO A 364 10.567 8.917 -2.909 1.00 0.00 H new ATOM 24 N LEU A 365 15.608 8.814 -0.893 1.00 0.00 N ATOM 25 CA LEU A 365 16.936 9.500 -0.903 1.00 0.00 C ATOM 26 C LEU A 365 18.046 8.512 -0.510 1.00 0.00 C ATOM 27 O LEU A 365 17.945 7.832 0.495 1.00 0.00 O ATOM 28 CB LEU A 365 16.815 10.612 0.139 1.00 0.00 C ATOM 29 CG LEU A 365 17.584 11.845 -0.339 1.00 0.00 C ATOM 30 CD1 LEU A 365 16.810 12.524 -1.469 1.00 0.00 C ATOM 31 CD2 LEU A 365 17.750 12.824 0.826 1.00 0.00 C ATOM 0 H LEU A 365 15.393 8.297 -0.040 1.00 0.00 H new ATOM 0 HA LEU A 365 17.192 9.891 -1.888 1.00 0.00 H new ATOM 0 HB2 LEU A 365 15.766 10.863 0.298 1.00 0.00 H new ATOM 0 HB3 LEU A 365 17.210 10.272 1.096 1.00 0.00 H new ATOM 0 HG LEU A 365 18.566 11.542 -0.703 1.00 0.00 H new ATOM 0 HD11 LEU A 365 17.358 13.402 -1.809 1.00 0.00 H new ATOM 0 HD12 LEU A 365 16.691 11.827 -2.298 1.00 0.00 H new ATOM 0 HD13 LEU A 365 15.828 12.827 -1.106 1.00 0.00 H new ATOM 0 HD21 LEU A 365 18.298 13.703 0.487 1.00 0.00 H new ATOM 0 HD22 LEU A 365 16.768 13.126 1.190 1.00 0.00 H new ATOM 0 HD23 LEU A 365 18.303 12.341 1.632 1.00 0.00 H new ATOM 43 N GLY A 366 19.104 8.425 -1.290 1.00 0.00 N ATOM 44 CA GLY A 366 20.209 7.481 -0.950 1.00 0.00 C ATOM 45 C GLY A 366 19.873 6.082 -1.489 1.00 0.00 C ATOM 46 O GLY A 366 19.887 5.859 -2.685 1.00 0.00 O ATOM 0 H GLY A 366 19.244 8.967 -2.143 1.00 0.00 H new ATOM 0 HA2 GLY A 366 21.147 7.832 -1.380 1.00 0.00 H new ATOM 0 HA3 GLY A 366 20.349 7.442 0.130 1.00 0.00 H new ATOM 50 N SER A 367 19.572 5.136 -0.621 1.00 0.00 N ATOM 51 CA SER A 367 19.238 3.761 -1.099 1.00 0.00 C ATOM 52 C SER A 367 17.986 3.238 -0.376 1.00 0.00 C ATOM 53 O SER A 367 18.085 2.453 0.550 1.00 0.00 O ATOM 54 CB SER A 367 20.458 2.912 -0.745 1.00 0.00 C ATOM 55 OG SER A 367 20.530 1.801 -1.628 1.00 0.00 O ATOM 0 H SER A 367 19.545 5.262 0.391 1.00 0.00 H new ATOM 0 HA SER A 367 19.021 3.735 -2.167 1.00 0.00 H new ATOM 0 HB2 SER A 367 21.366 3.510 -0.820 1.00 0.00 H new ATOM 0 HB3 SER A 367 20.388 2.567 0.287 1.00 0.00 H new ATOM 0 HG SER A 367 21.313 1.255 -1.404 1.00 0.00 H new ATOM 61 N GLY A 368 16.808 3.662 -0.788 1.00 0.00 N ATOM 62 CA GLY A 368 15.563 3.182 -0.117 1.00 0.00 C ATOM 63 C GLY A 368 14.540 2.751 -1.178 1.00 0.00 C ATOM 64 O GLY A 368 13.679 3.522 -1.559 1.00 0.00 O ATOM 0 H GLY A 368 16.662 4.316 -1.557 1.00 0.00 H new ATOM 0 HA2 GLY A 368 15.793 2.345 0.542 1.00 0.00 H new ATOM 0 HA3 GLY A 368 15.145 3.973 0.506 1.00 0.00 H new ATOM 68 N SER A 369 14.624 1.528 -1.663 1.00 0.00 N ATOM 69 CA SER A 369 13.652 1.063 -2.698 1.00 0.00 C ATOM 70 C SER A 369 13.287 -0.410 -2.459 1.00 0.00 C ATOM 71 O SER A 369 14.157 -1.247 -2.307 1.00 0.00 O ATOM 72 CB SER A 369 14.385 1.225 -4.028 1.00 0.00 C ATOM 73 OG SER A 369 13.441 1.210 -5.090 1.00 0.00 O ATOM 0 H SER A 369 15.323 0.839 -1.384 1.00 0.00 H new ATOM 0 HA SER A 369 12.720 1.628 -2.674 1.00 0.00 H new ATOM 0 HB2 SER A 369 14.944 2.161 -4.036 1.00 0.00 H new ATOM 0 HB3 SER A 369 15.108 0.420 -4.158 1.00 0.00 H new ATOM 0 HG SER A 369 13.909 1.316 -5.945 1.00 0.00 H new ATOM 79 N GLU A 370 12.010 -0.738 -2.424 1.00 0.00 N ATOM 80 CA GLU A 370 11.608 -2.159 -2.197 1.00 0.00 C ATOM 81 C GLU A 370 10.375 -2.502 -3.044 1.00 0.00 C ATOM 82 O GLU A 370 9.253 -2.369 -2.592 1.00 0.00 O ATOM 83 CB GLU A 370 11.278 -2.242 -0.706 1.00 0.00 C ATOM 84 CG GLU A 370 12.542 -2.599 0.078 1.00 0.00 C ATOM 85 CD GLU A 370 12.377 -2.175 1.538 1.00 0.00 C ATOM 86 OE1 GLU A 370 11.283 -2.325 2.058 1.00 0.00 O ATOM 87 OE2 GLU A 370 13.347 -1.706 2.111 1.00 0.00 O ATOM 0 H GLU A 370 11.238 -0.082 -2.543 1.00 0.00 H new ATOM 0 HA GLU A 370 12.391 -2.862 -2.480 1.00 0.00 H new ATOM 0 HB2 GLU A 370 10.878 -1.290 -0.358 1.00 0.00 H new ATOM 0 HB3 GLU A 370 10.507 -2.993 -0.535 1.00 0.00 H new ATOM 0 HG2 GLU A 370 12.728 -3.671 0.019 1.00 0.00 H new ATOM 0 HG3 GLU A 370 13.407 -2.101 -0.360 1.00 0.00 H new ATOM 94 N GLY A 371 10.568 -2.941 -4.273 1.00 0.00 N ATOM 95 CA GLY A 371 9.398 -3.286 -5.137 1.00 0.00 C ATOM 96 C GLY A 371 9.745 -4.493 -6.021 1.00 0.00 C ATOM 97 O GLY A 371 9.398 -4.527 -7.187 1.00 0.00 O ATOM 0 H GLY A 371 11.482 -3.072 -4.707 1.00 0.00 H new ATOM 0 HA2 GLY A 371 8.531 -3.514 -4.517 1.00 0.00 H new ATOM 0 HA3 GLY A 371 9.129 -2.433 -5.759 1.00 0.00 H new ATOM 101 N ASN A 372 10.425 -5.485 -5.481 1.00 0.00 N ATOM 102 CA ASN A 372 10.784 -6.680 -6.302 1.00 0.00 C ATOM 103 C ASN A 372 10.556 -7.964 -5.490 1.00 0.00 C ATOM 104 O ASN A 372 9.708 -8.769 -5.828 1.00 0.00 O ATOM 105 CB ASN A 372 12.267 -6.502 -6.631 1.00 0.00 C ATOM 106 CG ASN A 372 12.433 -5.368 -7.649 1.00 0.00 C ATOM 107 OD1 ASN A 372 12.073 -5.518 -8.800 1.00 0.00 O ATOM 108 ND2 ASN A 372 12.964 -4.227 -7.279 1.00 0.00 N ATOM 0 H ASN A 372 10.742 -5.513 -4.512 1.00 0.00 H new ATOM 0 HA ASN A 372 10.177 -6.764 -7.204 1.00 0.00 H new ATOM 0 HB2 ASN A 372 12.827 -6.275 -5.724 1.00 0.00 H new ATOM 0 HB3 ASN A 372 12.675 -7.429 -7.034 1.00 0.00 H new ATOM 0 HD21 ASN A 372 13.073 -3.472 -7.956 1.00 0.00 H new ATOM 0 HD22 ASN A 372 13.268 -4.095 -6.314 1.00 0.00 H new ATOM 115 N LYS A 373 11.301 -8.165 -4.420 1.00 0.00 N ATOM 116 CA LYS A 373 11.112 -9.397 -3.598 1.00 0.00 C ATOM 117 C LYS A 373 11.281 -9.071 -2.105 1.00 0.00 C ATOM 118 O LYS A 373 12.168 -9.587 -1.450 1.00 0.00 O ATOM 119 CB LYS A 373 12.200 -10.364 -4.072 1.00 0.00 C ATOM 120 CG LYS A 373 11.620 -11.324 -5.115 1.00 0.00 C ATOM 121 CD LYS A 373 11.960 -10.824 -6.522 1.00 0.00 C ATOM 122 CE LYS A 373 12.080 -12.017 -7.473 1.00 0.00 C ATOM 123 NZ LYS A 373 13.140 -11.630 -8.445 1.00 0.00 N ATOM 0 H LYS A 373 12.026 -7.529 -4.088 1.00 0.00 H new ATOM 0 HA LYS A 373 10.116 -9.824 -3.715 1.00 0.00 H new ATOM 0 HB2 LYS A 373 13.033 -9.807 -4.500 1.00 0.00 H new ATOM 0 HB3 LYS A 373 12.594 -10.926 -3.225 1.00 0.00 H new ATOM 0 HG2 LYS A 373 12.025 -12.325 -4.967 1.00 0.00 H new ATOM 0 HG3 LYS A 373 10.539 -11.396 -4.996 1.00 0.00 H new ATOM 0 HD2 LYS A 373 11.186 -10.142 -6.874 1.00 0.00 H new ATOM 0 HD3 LYS A 373 12.895 -10.264 -6.504 1.00 0.00 H new ATOM 0 HE2 LYS A 373 12.351 -12.925 -6.935 1.00 0.00 H new ATOM 0 HE3 LYS A 373 11.135 -12.216 -7.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 373 13.280 -12.399 -9.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 373 12.852 -10.766 -8.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 373 14.030 -11.454 -7.936 1.00 0.00 H new ATOM 137 N VAL A 374 10.434 -8.220 -1.558 1.00 0.00 N ATOM 138 CA VAL A 374 10.551 -7.872 -0.111 1.00 0.00 C ATOM 139 C VAL A 374 9.151 -7.664 0.493 1.00 0.00 C ATOM 140 O VAL A 374 8.196 -7.426 -0.222 1.00 0.00 O ATOM 141 CB VAL A 374 11.352 -6.566 -0.072 1.00 0.00 C ATOM 142 CG1 VAL A 374 11.536 -6.120 1.382 1.00 0.00 C ATOM 143 CG2 VAL A 374 12.726 -6.781 -0.711 1.00 0.00 C ATOM 0 H VAL A 374 9.673 -7.757 -2.055 1.00 0.00 H new ATOM 0 HA VAL A 374 11.037 -8.660 0.465 1.00 0.00 H new ATOM 0 HB VAL A 374 10.810 -5.799 -0.626 1.00 0.00 H new ATOM 0 HG11 VAL A 374 12.106 -5.191 1.408 1.00 0.00 H new ATOM 0 HG12 VAL A 374 10.560 -5.960 1.840 1.00 0.00 H new ATOM 0 HG13 VAL A 374 12.074 -6.891 1.934 1.00 0.00 H new ATOM 0 HG21 VAL A 374 13.291 -5.849 -0.681 1.00 0.00 H new ATOM 0 HG22 VAL A 374 13.266 -7.551 -0.161 1.00 0.00 H new ATOM 0 HG23 VAL A 374 12.600 -7.095 -1.747 1.00 0.00 H new ATOM 153 N LYS A 375 9.026 -7.739 1.801 1.00 0.00 N ATOM 154 CA LYS A 375 7.679 -7.530 2.431 1.00 0.00 C ATOM 155 C LYS A 375 7.470 -6.033 2.727 1.00 0.00 C ATOM 156 O LYS A 375 7.877 -5.530 3.756 1.00 0.00 O ATOM 157 CB LYS A 375 7.666 -8.355 3.724 1.00 0.00 C ATOM 158 CG LYS A 375 7.344 -9.811 3.384 1.00 0.00 C ATOM 159 CD LYS A 375 7.057 -10.589 4.669 1.00 0.00 C ATOM 160 CE LYS A 375 5.572 -10.468 5.020 1.00 0.00 C ATOM 161 NZ LYS A 375 5.386 -11.349 6.207 1.00 0.00 N ATOM 0 H LYS A 375 9.787 -7.933 2.451 1.00 0.00 H new ATOM 0 HA LYS A 375 6.872 -7.846 1.771 1.00 0.00 H new ATOM 0 HB2 LYS A 375 8.634 -8.290 4.222 1.00 0.00 H new ATOM 0 HB3 LYS A 375 6.924 -7.957 4.417 1.00 0.00 H new ATOM 0 HG2 LYS A 375 6.481 -9.857 2.719 1.00 0.00 H new ATOM 0 HG3 LYS A 375 8.181 -10.264 2.852 1.00 0.00 H new ATOM 0 HD2 LYS A 375 7.326 -11.637 4.540 1.00 0.00 H new ATOM 0 HD3 LYS A 375 7.667 -10.201 5.485 1.00 0.00 H new ATOM 0 HE2 LYS A 375 5.302 -9.437 5.247 1.00 0.00 H new ATOM 0 HE3 LYS A 375 4.942 -10.786 4.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 375 4.391 -11.320 6.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 375 5.644 -12.325 5.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 375 5.993 -11.018 6.984 1.00 0.00 H new ATOM 175 N ARG A 376 6.836 -5.327 1.816 1.00 0.00 N ATOM 176 CA ARG A 376 6.593 -3.859 2.026 1.00 0.00 C ATOM 177 C ARG A 376 5.847 -3.620 3.341 1.00 0.00 C ATOM 178 O ARG A 376 5.009 -4.408 3.740 1.00 0.00 O ATOM 179 CB ARG A 376 5.741 -3.371 0.847 1.00 0.00 C ATOM 180 CG ARG A 376 6.651 -2.752 -0.216 1.00 0.00 C ATOM 181 CD ARG A 376 5.805 -2.096 -1.311 1.00 0.00 C ATOM 182 NE ARG A 376 4.905 -3.178 -1.826 1.00 0.00 N ATOM 183 CZ ARG A 376 5.362 -4.130 -2.626 1.00 0.00 C ATOM 184 NH1 ARG A 376 6.622 -4.169 -2.993 1.00 0.00 N ATOM 185 NH2 ARG A 376 4.546 -5.056 -3.059 1.00 0.00 N ATOM 0 H ARG A 376 6.477 -5.703 0.938 1.00 0.00 H new ATOM 0 HA ARG A 376 7.539 -3.319 2.079 1.00 0.00 H new ATOM 0 HB2 ARG A 376 5.179 -4.202 0.421 1.00 0.00 H new ATOM 0 HB3 ARG A 376 5.012 -2.637 1.190 1.00 0.00 H new ATOM 0 HG2 ARG A 376 7.307 -2.011 0.241 1.00 0.00 H new ATOM 0 HG3 ARG A 376 7.291 -3.520 -0.650 1.00 0.00 H new ATOM 0 HD2 ARG A 376 5.227 -1.262 -0.913 1.00 0.00 H new ATOM 0 HD3 ARG A 376 6.434 -1.697 -2.107 1.00 0.00 H new ATOM 0 HE ARG A 376 3.922 -3.182 -1.555 1.00 0.00 H new ATOM 0 HH11 ARG A 376 7.272 -3.456 -2.661 1.00 0.00 H new ATOM 0 HH12 ARG A 376 6.951 -4.912 -3.610 1.00 0.00 H new ATOM 0 HH21 ARG A 376 3.565 -5.042 -2.780 1.00 0.00 H new ATOM 0 HH22 ARG A 376 4.891 -5.792 -3.675 1.00 0.00 H new ATOM 199 N THR A 377 6.132 -2.525 4.005 1.00 0.00 N ATOM 200 CA THR A 377 5.416 -2.225 5.284 1.00 0.00 C ATOM 201 C THR A 377 3.965 -1.899 4.917 1.00 0.00 C ATOM 202 O THR A 377 3.725 -1.199 3.959 1.00 0.00 O ATOM 203 CB THR A 377 6.156 -1.014 5.898 1.00 0.00 C ATOM 204 OG1 THR A 377 7.340 -1.476 6.537 1.00 0.00 O ATOM 205 CG2 THR A 377 5.281 -0.283 6.931 1.00 0.00 C ATOM 0 H THR A 377 6.824 -1.832 3.719 1.00 0.00 H new ATOM 0 HA THR A 377 5.406 -3.045 6.003 1.00 0.00 H new ATOM 0 HB THR A 377 6.394 -0.314 5.097 1.00 0.00 H new ATOM 0 HG1 THR A 377 7.818 -0.716 6.929 1.00 0.00 H new ATOM 0 HG21 THR A 377 5.833 0.562 7.342 1.00 0.00 H new ATOM 0 HG22 THR A 377 4.372 0.077 6.449 1.00 0.00 H new ATOM 0 HG23 THR A 377 5.017 -0.970 7.735 1.00 0.00 H new ATOM 213 N SER A 378 2.995 -2.393 5.657 1.00 0.00 N ATOM 214 CA SER A 378 1.557 -2.091 5.300 1.00 0.00 C ATOM 215 C SER A 378 1.364 -0.575 5.164 1.00 0.00 C ATOM 216 O SER A 378 2.122 0.192 5.729 1.00 0.00 O ATOM 217 CB SER A 378 0.694 -2.635 6.447 1.00 0.00 C ATOM 218 OG SER A 378 0.939 -1.870 7.620 1.00 0.00 O ATOM 0 H SER A 378 3.128 -2.982 6.479 1.00 0.00 H new ATOM 0 HA SER A 378 1.278 -2.551 4.352 1.00 0.00 H new ATOM 0 HB2 SER A 378 -0.361 -2.585 6.179 1.00 0.00 H new ATOM 0 HB3 SER A 378 0.927 -3.684 6.627 1.00 0.00 H new ATOM 0 HG SER A 378 0.389 -2.213 8.355 1.00 0.00 H new ATOM 224 N CYS A 379 0.360 -0.123 4.443 1.00 0.00 N ATOM 225 CA CYS A 379 0.153 1.361 4.324 1.00 0.00 C ATOM 226 C CYS A 379 -0.572 1.869 5.577 1.00 0.00 C ATOM 227 O CYS A 379 -1.220 1.104 6.267 1.00 0.00 O ATOM 228 CB CYS A 379 -0.721 1.579 3.078 1.00 0.00 C ATOM 229 SG CYS A 379 -0.686 3.322 2.601 1.00 0.00 S ATOM 0 H CYS A 379 -0.312 -0.703 3.941 1.00 0.00 H new ATOM 0 HA CYS A 379 1.097 1.899 4.235 1.00 0.00 H new ATOM 0 HB2 CYS A 379 -0.359 0.961 2.256 1.00 0.00 H new ATOM 0 HB3 CYS A 379 -1.746 1.269 3.283 1.00 0.00 H new ATOM 234 N MET A 380 -0.475 3.148 5.883 1.00 0.00 N ATOM 235 CA MET A 380 -1.183 3.681 7.109 1.00 0.00 C ATOM 236 C MET A 380 -2.677 3.350 7.035 1.00 0.00 C ATOM 237 O MET A 380 -3.285 2.980 8.023 1.00 0.00 O ATOM 238 CB MET A 380 -0.983 5.201 7.099 1.00 0.00 C ATOM 239 CG MET A 380 0.512 5.515 7.258 1.00 0.00 C ATOM 240 SD MET A 380 1.122 6.440 5.822 1.00 0.00 S ATOM 241 CE MET A 380 -0.104 7.768 5.861 1.00 0.00 C ATOM 0 H MET A 380 0.053 3.838 5.349 1.00 0.00 H new ATOM 0 HA MET A 380 -0.786 3.235 8.021 1.00 0.00 H new ATOM 0 HB2 MET A 380 -1.358 5.623 6.167 1.00 0.00 H new ATOM 0 HB3 MET A 380 -1.551 5.660 7.908 1.00 0.00 H new ATOM 0 HG2 MET A 380 0.673 6.095 8.167 1.00 0.00 H new ATOM 0 HG3 MET A 380 1.075 4.588 7.367 1.00 0.00 H new ATOM 0 HE1 MET A 380 0.352 8.695 5.513 1.00 0.00 H new ATOM 0 HE2 MET A 380 -0.941 7.510 5.212 1.00 0.00 H new ATOM 0 HE3 MET A 380 -0.464 7.901 6.881 1.00 0.00 H new ATOM 251 N TYR A 381 -3.263 3.445 5.862 1.00 0.00 N ATOM 252 CA TYR A 381 -4.700 3.097 5.718 1.00 0.00 C ATOM 253 C TYR A 381 -4.844 2.099 4.562 1.00 0.00 C ATOM 254 O TYR A 381 -5.766 2.199 3.784 1.00 0.00 O ATOM 255 CB TYR A 381 -5.448 4.392 5.359 1.00 0.00 C ATOM 256 CG TYR A 381 -5.014 5.574 6.202 1.00 0.00 C ATOM 257 CD1 TYR A 381 -3.826 6.280 5.871 1.00 0.00 C ATOM 258 CD2 TYR A 381 -5.825 6.016 7.286 1.00 0.00 C ATOM 259 CE1 TYR A 381 -3.447 7.422 6.622 1.00 0.00 C ATOM 260 CE2 TYR A 381 -5.443 7.160 8.036 1.00 0.00 C ATOM 261 CZ TYR A 381 -4.256 7.862 7.703 1.00 0.00 C ATOM 262 OH TYR A 381 -3.885 8.971 8.436 1.00 0.00 O ATOM 0 H TYR A 381 -2.802 3.749 5.004 1.00 0.00 H new ATOM 0 HA TYR A 381 -5.098 2.659 6.633 1.00 0.00 H new ATOM 0 HB2 TYR A 381 -5.282 4.622 4.306 1.00 0.00 H new ATOM 0 HB3 TYR A 381 -6.519 4.235 5.486 1.00 0.00 H new ATOM 0 HD1 TYR A 381 -3.212 5.947 5.048 1.00 0.00 H new ATOM 0 HD2 TYR A 381 -6.729 5.482 7.537 1.00 0.00 H new ATOM 0 HE1 TYR A 381 -2.543 7.957 6.372 1.00 0.00 H new ATOM 0 HE2 TYR A 381 -6.056 7.495 8.860 1.00 0.00 H new ATOM 0 HH TYR A 381 -4.563 9.671 8.336 1.00 0.00 H new ATOM 272 N GLY A 382 -3.911 1.165 4.411 1.00 0.00 N ATOM 273 CA GLY A 382 -3.959 0.180 3.272 1.00 0.00 C ATOM 274 C GLY A 382 -5.386 -0.290 2.939 1.00 0.00 C ATOM 275 O GLY A 382 -5.757 -0.344 1.781 1.00 0.00 O ATOM 0 H GLY A 382 -3.114 1.048 5.037 1.00 0.00 H new ATOM 0 HA2 GLY A 382 -3.517 0.636 2.386 1.00 0.00 H new ATOM 0 HA3 GLY A 382 -3.347 -0.686 3.523 1.00 0.00 H new ATOM 279 N ALA A 383 -6.186 -0.622 3.926 1.00 0.00 N ATOM 280 CA ALA A 383 -7.587 -1.082 3.613 1.00 0.00 C ATOM 281 C ALA A 383 -8.362 0.011 2.852 1.00 0.00 C ATOM 282 O ALA A 383 -9.262 -0.292 2.091 1.00 0.00 O ATOM 283 CB ALA A 383 -8.266 -1.385 4.959 1.00 0.00 C ATOM 0 H ALA A 383 -5.941 -0.597 4.916 1.00 0.00 H new ATOM 0 HA ALA A 383 -7.571 -1.966 2.976 1.00 0.00 H new ATOM 0 HB1 ALA A 383 -9.287 -1.723 4.783 1.00 0.00 H new ATOM 0 HB2 ALA A 383 -7.710 -2.165 5.480 1.00 0.00 H new ATOM 0 HB3 ALA A 383 -8.283 -0.482 5.570 1.00 0.00 H new ATOM 289 N ASN A 384 -8.033 1.278 3.043 1.00 0.00 N ATOM 290 CA ASN A 384 -8.773 2.361 2.319 1.00 0.00 C ATOM 291 C ASN A 384 -7.815 3.398 1.686 1.00 0.00 C ATOM 292 O ASN A 384 -8.228 4.505 1.426 1.00 0.00 O ATOM 293 CB ASN A 384 -9.628 3.052 3.391 1.00 0.00 C ATOM 294 CG ASN A 384 -10.464 2.015 4.158 1.00 0.00 C ATOM 295 OD1 ASN A 384 -9.910 1.324 5.126 1.00 0.00 O flip ATOM 296 ND2 ASN A 384 -11.629 1.829 3.870 1.00 0.00 N flip ATOM 0 H ASN A 384 -7.290 1.600 3.664 1.00 0.00 H new ATOM 0 HA ASN A 384 -9.361 1.941 1.503 1.00 0.00 H new ATOM 0 HB2 ASN A 384 -8.985 3.595 4.084 1.00 0.00 H new ATOM 0 HB3 ASN A 384 -10.285 3.786 2.924 1.00 0.00 H new ATOM 0 HD21 ASN A 384 -12.060 2.366 3.118 1.00 0.00 H new ATOM 0 HD22 ASN A 384 -12.176 1.136 4.381 1.00 0.00 H new ATOM 303 N CYS A 385 -6.544 3.078 1.473 1.00 0.00 N ATOM 304 CA CYS A 385 -5.568 4.093 0.884 1.00 0.00 C ATOM 305 C CYS A 385 -6.171 4.886 -0.304 1.00 0.00 C ATOM 306 O CYS A 385 -6.045 4.483 -1.445 1.00 0.00 O ATOM 307 CB CYS A 385 -4.370 3.265 0.389 1.00 0.00 C ATOM 308 SG CYS A 385 -3.012 4.364 -0.083 1.00 0.00 S ATOM 0 H CYS A 385 -6.138 2.165 1.679 1.00 0.00 H new ATOM 0 HA CYS A 385 -5.301 4.835 1.637 1.00 0.00 H new ATOM 0 HB2 CYS A 385 -4.041 2.582 1.172 1.00 0.00 H new ATOM 0 HB3 CYS A 385 -4.667 2.654 -0.463 1.00 0.00 H new ATOM 313 N TYR A 386 -6.831 6.003 -0.046 1.00 0.00 N ATOM 314 CA TYR A 386 -7.449 6.798 -1.170 1.00 0.00 C ATOM 315 C TYR A 386 -6.374 7.333 -2.145 1.00 0.00 C ATOM 316 O TYR A 386 -6.580 7.330 -3.345 1.00 0.00 O ATOM 317 CB TYR A 386 -8.242 7.965 -0.512 1.00 0.00 C ATOM 318 CG TYR A 386 -7.305 9.047 -0.001 1.00 0.00 C ATOM 319 CD1 TYR A 386 -6.827 10.037 -0.899 1.00 0.00 C ATOM 320 CD2 TYR A 386 -6.895 9.067 1.363 1.00 0.00 C ATOM 321 CE1 TYR A 386 -5.942 11.046 -0.439 1.00 0.00 C ATOM 322 CE2 TYR A 386 -6.005 10.081 1.828 1.00 0.00 C ATOM 323 CZ TYR A 386 -5.530 11.069 0.919 1.00 0.00 C ATOM 324 OH TYR A 386 -4.674 12.055 1.351 1.00 0.00 O ATOM 0 H TYR A 386 -6.967 6.395 0.886 1.00 0.00 H new ATOM 0 HA TYR A 386 -8.109 6.167 -1.766 1.00 0.00 H new ATOM 0 HB2 TYR A 386 -8.934 8.393 -1.238 1.00 0.00 H new ATOM 0 HB3 TYR A 386 -8.842 7.581 0.313 1.00 0.00 H new ATOM 0 HD1 TYR A 386 -7.137 10.022 -1.933 1.00 0.00 H new ATOM 0 HD2 TYR A 386 -7.258 8.314 2.046 1.00 0.00 H new ATOM 0 HE1 TYR A 386 -5.581 11.799 -1.124 1.00 0.00 H new ATOM 0 HE2 TYR A 386 -5.694 10.099 2.862 1.00 0.00 H new ATOM 0 HH TYR A 386 -5.133 12.624 2.003 1.00 0.00 H new ATOM 334 N ARG A 387 -5.240 7.805 -1.653 1.00 0.00 N ATOM 335 CA ARG A 387 -4.191 8.351 -2.597 1.00 0.00 C ATOM 336 C ARG A 387 -3.808 7.290 -3.644 1.00 0.00 C ATOM 337 O ARG A 387 -3.891 6.104 -3.385 1.00 0.00 O ATOM 338 CB ARG A 387 -2.968 8.742 -1.742 1.00 0.00 C ATOM 339 CG ARG A 387 -2.388 7.508 -1.041 1.00 0.00 C ATOM 340 CD ARG A 387 -1.104 7.901 -0.295 1.00 0.00 C ATOM 341 NE ARG A 387 -0.074 8.226 -1.349 1.00 0.00 N ATOM 342 CZ ARG A 387 0.936 9.048 -1.091 1.00 0.00 C ATOM 343 NH1 ARG A 387 1.107 9.576 0.100 1.00 0.00 N ATOM 344 NH2 ARG A 387 1.798 9.329 -2.034 1.00 0.00 N ATOM 0 H ARG A 387 -4.998 7.836 -0.663 1.00 0.00 H new ATOM 0 HA ARG A 387 -4.570 9.218 -3.139 1.00 0.00 H new ATOM 0 HB2 ARG A 387 -2.207 9.201 -2.373 1.00 0.00 H new ATOM 0 HB3 ARG A 387 -3.258 9.486 -1.000 1.00 0.00 H new ATOM 0 HG2 ARG A 387 -3.117 7.097 -0.342 1.00 0.00 H new ATOM 0 HG3 ARG A 387 -2.173 6.728 -1.772 1.00 0.00 H new ATOM 0 HD2 ARG A 387 -1.280 8.760 0.352 1.00 0.00 H new ATOM 0 HD3 ARG A 387 -0.762 7.086 0.343 1.00 0.00 H new ATOM 0 HE ARG A 387 -0.155 7.807 -2.275 1.00 0.00 H new ATOM 0 HH11 ARG A 387 0.455 9.357 0.853 1.00 0.00 H new ATOM 0 HH12 ARG A 387 1.892 10.205 0.271 1.00 0.00 H new ATOM 0 HH21 ARG A 387 1.692 8.917 -2.961 1.00 0.00 H new ATOM 0 HH22 ARG A 387 2.576 9.960 -1.842 1.00 0.00 H new ATOM 358 N LYS A 388 -3.398 7.703 -4.829 1.00 0.00 N ATOM 359 CA LYS A 388 -3.028 6.706 -5.880 1.00 0.00 C ATOM 360 C LYS A 388 -1.690 7.084 -6.543 1.00 0.00 C ATOM 361 O LYS A 388 -1.657 7.513 -7.681 1.00 0.00 O ATOM 362 CB LYS A 388 -4.173 6.753 -6.899 1.00 0.00 C ATOM 363 CG LYS A 388 -4.313 8.172 -7.473 1.00 0.00 C ATOM 364 CD LYS A 388 -4.418 8.105 -8.999 1.00 0.00 C ATOM 365 CE LYS A 388 -3.948 9.431 -9.599 1.00 0.00 C ATOM 366 NZ LYS A 388 -4.497 9.443 -10.984 1.00 0.00 N ATOM 0 H LYS A 388 -3.306 8.680 -5.106 1.00 0.00 H new ATOM 0 HA LYS A 388 -2.895 5.707 -5.465 1.00 0.00 H new ATOM 0 HB2 LYS A 388 -3.982 6.044 -7.705 1.00 0.00 H new ATOM 0 HB3 LYS A 388 -5.106 6.451 -6.423 1.00 0.00 H new ATOM 0 HG2 LYS A 388 -5.198 8.656 -7.059 1.00 0.00 H new ATOM 0 HG3 LYS A 388 -3.454 8.778 -7.184 1.00 0.00 H new ATOM 0 HD2 LYS A 388 -3.810 7.285 -9.381 1.00 0.00 H new ATOM 0 HD3 LYS A 388 -5.447 7.904 -9.295 1.00 0.00 H new ATOM 0 HE2 LYS A 388 -4.316 10.278 -9.021 1.00 0.00 H new ATOM 0 HE3 LYS A 388 -2.860 9.498 -9.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 -4.216 10.324 -11.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 -4.124 8.629 -11.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 -5.535 9.385 -10.947 1.00 0.00 H new ATOM 380 N ASN A 389 -0.585 6.917 -5.847 1.00 0.00 N ATOM 381 CA ASN A 389 0.744 7.255 -6.451 1.00 0.00 C ATOM 382 C ASN A 389 1.496 5.965 -6.789 1.00 0.00 C ATOM 383 O ASN A 389 1.337 4.973 -6.105 1.00 0.00 O ATOM 384 CB ASN A 389 1.498 8.038 -5.372 1.00 0.00 C ATOM 385 CG ASN A 389 1.180 9.536 -5.495 1.00 0.00 C ATOM 386 OD1 ASN A 389 0.029 9.917 -5.560 1.00 0.00 O ATOM 387 ND2 ASN A 389 2.157 10.410 -5.527 1.00 0.00 N ATOM 0 H ASN A 389 -0.549 6.563 -4.891 1.00 0.00 H new ATOM 0 HA ASN A 389 0.644 7.832 -7.370 1.00 0.00 H new ATOM 0 HB2 ASN A 389 1.214 7.677 -4.383 1.00 0.00 H new ATOM 0 HB3 ASN A 389 2.571 7.875 -5.475 1.00 0.00 H new ATOM 0 HD21 ASN A 389 1.949 11.405 -5.606 1.00 0.00 H new ATOM 0 HD22 ASN A 389 3.125 10.095 -5.473 1.00 0.00 H new ATOM 394 N PRO A 390 2.312 6.013 -7.820 1.00 0.00 N ATOM 395 CA PRO A 390 3.086 4.814 -8.197 1.00 0.00 C ATOM 396 C PRO A 390 4.159 4.549 -7.116 1.00 0.00 C ATOM 397 O PRO A 390 3.940 3.731 -6.244 1.00 0.00 O ATOM 398 CB PRO A 390 3.653 5.165 -9.579 1.00 0.00 C ATOM 399 CG PRO A 390 3.661 6.663 -9.644 1.00 0.00 C ATOM 400 CD PRO A 390 2.592 7.160 -8.703 1.00 0.00 C ATOM 0 HA PRO A 390 2.512 3.889 -8.254 1.00 0.00 H new ATOM 0 HB2 PRO A 390 4.658 4.762 -9.704 1.00 0.00 H new ATOM 0 HB3 PRO A 390 3.039 4.742 -10.374 1.00 0.00 H new ATOM 0 HG2 PRO A 390 4.637 7.055 -9.358 1.00 0.00 H new ATOM 0 HG3 PRO A 390 3.467 7.004 -10.661 1.00 0.00 H new ATOM 0 HD2 PRO A 390 2.935 8.024 -8.134 1.00 0.00 H new ATOM 0 HD3 PRO A 390 1.699 7.470 -9.246 1.00 0.00 H new ATOM 408 N VAL A 391 5.318 5.196 -7.167 1.00 0.00 N ATOM 409 CA VAL A 391 6.413 4.949 -6.133 1.00 0.00 C ATOM 410 C VAL A 391 5.864 4.749 -4.692 1.00 0.00 C ATOM 411 O VAL A 391 6.485 4.064 -3.901 1.00 0.00 O ATOM 412 CB VAL A 391 7.346 6.180 -6.181 1.00 0.00 C ATOM 413 CG1 VAL A 391 8.418 6.078 -5.085 1.00 0.00 C ATOM 414 CG2 VAL A 391 8.050 6.244 -7.541 1.00 0.00 C ATOM 0 H VAL A 391 5.556 5.886 -7.880 1.00 0.00 H new ATOM 0 HA VAL A 391 6.934 4.023 -6.376 1.00 0.00 H new ATOM 0 HB VAL A 391 6.743 7.075 -6.025 1.00 0.00 H new ATOM 0 HG11 VAL A 391 9.069 6.951 -5.130 1.00 0.00 H new ATOM 0 HG12 VAL A 391 7.937 6.034 -4.108 1.00 0.00 H new ATOM 0 HG13 VAL A 391 9.010 5.176 -5.238 1.00 0.00 H new ATOM 0 HG21 VAL A 391 8.707 7.113 -7.570 1.00 0.00 H new ATOM 0 HG22 VAL A 391 8.639 5.339 -7.689 1.00 0.00 H new ATOM 0 HG23 VAL A 391 7.305 6.325 -8.333 1.00 0.00 H new ATOM 424 N HIS A 392 4.712 5.289 -4.344 1.00 0.00 N ATOM 425 CA HIS A 392 4.157 5.053 -2.958 1.00 0.00 C ATOM 426 C HIS A 392 3.852 3.547 -2.802 1.00 0.00 C ATOM 427 O HIS A 392 4.103 2.965 -1.762 1.00 0.00 O ATOM 428 CB HIS A 392 2.857 5.896 -2.889 1.00 0.00 C ATOM 429 CG HIS A 392 1.980 5.461 -1.739 1.00 0.00 C ATOM 430 ND1 HIS A 392 2.027 6.071 -0.496 1.00 0.00 N ATOM 431 CD2 HIS A 392 1.023 4.481 -1.642 1.00 0.00 C ATOM 432 CE1 HIS A 392 1.121 5.458 0.289 1.00 0.00 C ATOM 433 NE2 HIS A 392 0.483 4.483 -0.362 1.00 0.00 N ATOM 0 H HIS A 392 4.137 5.876 -4.949 1.00 0.00 H new ATOM 0 HA HIS A 392 4.846 5.337 -2.163 1.00 0.00 H new ATOM 0 HB2 HIS A 392 3.110 6.950 -2.777 1.00 0.00 H new ATOM 0 HB3 HIS A 392 2.308 5.798 -3.825 1.00 0.00 H new ATOM 0 HD1 HIS A 392 2.636 6.843 -0.225 1.00 0.00 H new ATOM 0 HD2 HIS A 392 0.734 3.811 -2.439 1.00 0.00 H new ATOM 0 HE1 HIS A 392 0.934 5.723 1.319 1.00 0.00 H new ATOM 441 N PHE A 393 3.334 2.910 -3.837 1.00 0.00 N ATOM 442 CA PHE A 393 3.047 1.436 -3.738 1.00 0.00 C ATOM 443 C PHE A 393 4.352 0.686 -3.443 1.00 0.00 C ATOM 444 O PHE A 393 4.358 -0.276 -2.704 1.00 0.00 O ATOM 445 CB PHE A 393 2.484 0.997 -5.101 1.00 0.00 C ATOM 446 CG PHE A 393 1.027 1.375 -5.199 1.00 0.00 C ATOM 447 CD1 PHE A 393 0.078 0.798 -4.312 1.00 0.00 C ATOM 448 CD2 PHE A 393 0.603 2.307 -6.184 1.00 0.00 C ATOM 449 CE1 PHE A 393 -1.295 1.152 -4.413 1.00 0.00 C ATOM 450 CE2 PHE A 393 -0.769 2.661 -6.284 1.00 0.00 C ATOM 451 CZ PHE A 393 -1.718 2.084 -5.398 1.00 0.00 C ATOM 0 H PHE A 393 3.101 3.341 -4.732 1.00 0.00 H new ATOM 0 HA PHE A 393 2.337 1.220 -2.940 1.00 0.00 H new ATOM 0 HB2 PHE A 393 3.046 1.470 -5.906 1.00 0.00 H new ATOM 0 HB3 PHE A 393 2.598 -0.080 -5.222 1.00 0.00 H new ATOM 0 HD1 PHE A 393 0.400 0.091 -3.562 1.00 0.00 H new ATOM 0 HD2 PHE A 393 1.324 2.747 -6.857 1.00 0.00 H new ATOM 0 HE1 PHE A 393 -2.017 0.712 -3.741 1.00 0.00 H new ATOM 0 HE2 PHE A 393 -1.091 3.369 -7.034 1.00 0.00 H new ATOM 0 HZ PHE A 393 -2.761 2.354 -5.473 1.00 0.00 H new ATOM 461 N GLN A 394 5.457 1.116 -4.021 1.00 0.00 N ATOM 462 CA GLN A 394 6.759 0.403 -3.762 1.00 0.00 C ATOM 463 C GLN A 394 7.243 0.634 -2.320 1.00 0.00 C ATOM 464 O GLN A 394 7.963 -0.182 -1.777 1.00 0.00 O ATOM 465 CB GLN A 394 7.781 0.963 -4.765 1.00 0.00 C ATOM 466 CG GLN A 394 7.511 0.382 -6.160 1.00 0.00 C ATOM 467 CD GLN A 394 6.810 1.436 -7.025 1.00 0.00 C ATOM 468 OE1 GLN A 394 7.461 2.254 -7.644 1.00 0.00 O ATOM 469 NE2 GLN A 394 5.500 1.452 -7.102 1.00 0.00 N ATOM 0 H GLN A 394 5.515 1.916 -4.651 1.00 0.00 H new ATOM 0 HA GLN A 394 6.633 -0.673 -3.885 1.00 0.00 H new ATOM 0 HB2 GLN A 394 7.717 2.051 -4.795 1.00 0.00 H new ATOM 0 HB3 GLN A 394 8.793 0.712 -4.446 1.00 0.00 H new ATOM 0 HG2 GLN A 394 8.448 0.078 -6.627 1.00 0.00 H new ATOM 0 HG3 GLN A 394 6.890 -0.510 -6.080 1.00 0.00 H new ATOM 0 HE21 GLN A 394 4.950 0.767 -6.584 1.00 0.00 H new ATOM 0 HE22 GLN A 394 5.032 2.150 -7.680 1.00 0.00 H new ATOM 478 N HIS A 395 6.873 1.732 -1.690 1.00 0.00 N ATOM 479 CA HIS A 395 7.338 1.970 -0.282 1.00 0.00 C ATOM 480 C HIS A 395 6.326 1.397 0.727 1.00 0.00 C ATOM 481 O HIS A 395 6.707 0.919 1.779 1.00 0.00 O ATOM 482 CB HIS A 395 7.439 3.489 -0.121 1.00 0.00 C ATOM 483 CG HIS A 395 8.526 4.021 -1.016 1.00 0.00 C ATOM 484 ND1 HIS A 395 9.129 3.502 -2.135 1.00 0.00 N flip ATOM 485 CD2 HIS A 395 9.125 5.252 -0.800 1.00 0.00 C flip ATOM 486 CE1 HIS A 395 10.088 4.394 -2.606 1.00 0.00 C flip ATOM 487 NE2 HIS A 395 10.044 5.431 -1.765 1.00 0.00 N flip ATOM 0 H HIS A 395 6.279 2.461 -2.084 1.00 0.00 H new ATOM 0 HA HIS A 395 8.294 1.480 -0.094 1.00 0.00 H new ATOM 0 HB2 HIS A 395 6.486 3.955 -0.372 1.00 0.00 H new ATOM 0 HB3 HIS A 395 7.653 3.741 0.918 1.00 0.00 H new ATOM 0 HD2 HIS A 395 8.895 5.942 -0.002 1.00 0.00 H new ATOM 0 HE1 HIS A 395 10.730 4.274 -3.466 1.00 0.00 H new ATOM 0 HE2 HIS A 395 10.636 6.258 -1.845 1.00 0.00 H new ATOM 496 N PHE A 396 5.041 1.444 0.426 1.00 0.00 N ATOM 497 CA PHE A 396 4.023 0.906 1.383 1.00 0.00 C ATOM 498 C PHE A 396 3.265 -0.270 0.751 1.00 0.00 C ATOM 499 O PHE A 396 2.998 -0.275 -0.436 1.00 0.00 O ATOM 500 CB PHE A 396 3.065 2.072 1.641 1.00 0.00 C ATOM 501 CG PHE A 396 3.816 3.228 2.258 1.00 0.00 C ATOM 502 CD1 PHE A 396 4.541 4.128 1.429 1.00 0.00 C ATOM 503 CD2 PHE A 396 3.793 3.422 3.664 1.00 0.00 C ATOM 504 CE1 PHE A 396 5.241 5.219 2.007 1.00 0.00 C ATOM 505 CE2 PHE A 396 4.494 4.513 4.243 1.00 0.00 C ATOM 506 CZ PHE A 396 5.217 5.412 3.415 1.00 0.00 C ATOM 0 H PHE A 396 4.661 1.831 -0.438 1.00 0.00 H new ATOM 0 HA PHE A 396 4.480 0.537 2.301 1.00 0.00 H new ATOM 0 HB2 PHE A 396 2.601 2.386 0.706 1.00 0.00 H new ATOM 0 HB3 PHE A 396 2.261 1.754 2.305 1.00 0.00 H new ATOM 0 HD1 PHE A 396 4.559 3.981 0.359 1.00 0.00 H new ATOM 0 HD2 PHE A 396 3.242 2.739 4.294 1.00 0.00 H new ATOM 0 HE1 PHE A 396 5.792 5.902 1.377 1.00 0.00 H new ATOM 0 HE2 PHE A 396 4.477 4.659 5.313 1.00 0.00 H new ATOM 0 HZ PHE A 396 5.749 6.243 3.855 1.00 0.00 H new ATOM 516 N SER A 397 2.907 -1.267 1.536 1.00 0.00 N ATOM 517 CA SER A 397 2.161 -2.431 0.977 1.00 0.00 C ATOM 518 C SER A 397 0.653 -2.277 1.231 1.00 0.00 C ATOM 519 O SER A 397 0.227 -1.419 1.982 1.00 0.00 O ATOM 520 CB SER A 397 2.710 -3.677 1.686 1.00 0.00 C ATOM 521 OG SER A 397 3.114 -4.633 0.713 1.00 0.00 O ATOM 0 H SER A 397 3.102 -1.318 2.536 1.00 0.00 H new ATOM 0 HA SER A 397 2.294 -2.505 -0.102 1.00 0.00 H new ATOM 0 HB2 SER A 397 3.555 -3.406 2.319 1.00 0.00 H new ATOM 0 HB3 SER A 397 1.948 -4.104 2.337 1.00 0.00 H new ATOM 0 HG SER A 397 2.418 -5.316 0.617 1.00 0.00 H new ATOM 527 N HIS A 398 -0.151 -3.083 0.575 1.00 0.00 N ATOM 528 CA HIS A 398 -1.624 -2.963 0.745 1.00 0.00 C ATOM 529 C HIS A 398 -2.282 -4.345 0.799 1.00 0.00 C ATOM 530 O HIS A 398 -1.758 -5.291 0.243 1.00 0.00 O ATOM 531 CB HIS A 398 -2.102 -2.182 -0.488 1.00 0.00 C ATOM 532 CG HIS A 398 -1.455 -0.816 -0.521 1.00 0.00 C ATOM 533 ND1 HIS A 398 -0.271 -0.569 -1.203 1.00 0.00 N ATOM 534 CD2 HIS A 398 -1.820 0.384 0.037 1.00 0.00 C ATOM 535 CE1 HIS A 398 0.032 0.735 -1.033 1.00 0.00 C ATOM 536 NE2 HIS A 398 -0.883 1.361 -0.284 1.00 0.00 N ATOM 0 H HIS A 398 0.154 -3.814 -0.067 1.00 0.00 H new ATOM 0 HA HIS A 398 -1.887 -2.462 1.676 1.00 0.00 H new ATOM 0 HB2 HIS A 398 -1.854 -2.732 -1.395 1.00 0.00 H new ATOM 0 HB3 HIS A 398 -3.187 -2.079 -0.465 1.00 0.00 H new ATOM 0 HD1 HIS A 398 0.271 -1.249 -1.736 1.00 0.00 H new ATOM 0 HD2 HIS A 398 -2.704 0.546 0.636 1.00 0.00 H new ATOM 0 HE1 HIS A 398 0.905 1.214 -1.450 1.00 0.00 H new ATOM 544 N PRO A 399 -3.424 -4.428 1.458 1.00 0.00 N ATOM 545 CA PRO A 399 -4.138 -5.726 1.549 1.00 0.00 C ATOM 546 C PRO A 399 -4.523 -6.157 0.128 1.00 0.00 C ATOM 547 O PRO A 399 -4.921 -5.335 -0.679 1.00 0.00 O ATOM 548 CB PRO A 399 -5.352 -5.412 2.434 1.00 0.00 C ATOM 549 CG PRO A 399 -5.546 -3.941 2.285 1.00 0.00 C ATOM 550 CD PRO A 399 -4.164 -3.358 2.147 1.00 0.00 C ATOM 0 HA PRO A 399 -3.560 -6.548 1.972 1.00 0.00 H new ATOM 0 HB2 PRO A 399 -6.234 -5.964 2.110 1.00 0.00 H new ATOM 0 HB3 PRO A 399 -5.168 -5.686 3.473 1.00 0.00 H new ATOM 0 HG2 PRO A 399 -6.156 -3.713 1.411 1.00 0.00 H new ATOM 0 HG3 PRO A 399 -6.062 -3.525 3.150 1.00 0.00 H new ATOM 0 HD2 PRO A 399 -4.171 -2.434 1.568 1.00 0.00 H new ATOM 0 HD3 PRO A 399 -3.726 -3.123 3.117 1.00 0.00 H new ATOM 558 N GLY A 400 -4.370 -7.418 -0.207 1.00 0.00 N ATOM 559 CA GLY A 400 -4.684 -7.856 -1.596 1.00 0.00 C ATOM 560 C GLY A 400 -3.381 -7.993 -2.427 1.00 0.00 C ATOM 561 O GLY A 400 -3.431 -8.420 -3.566 1.00 0.00 O ATOM 0 H GLY A 400 -4.044 -8.154 0.420 1.00 0.00 H new ATOM 0 HA2 GLY A 400 -5.210 -8.810 -1.573 1.00 0.00 H new ATOM 0 HA3 GLY A 400 -5.351 -7.135 -2.069 1.00 0.00 H new ATOM 565 N ASP A 401 -2.210 -7.681 -1.873 1.00 0.00 N ATOM 566 CA ASP A 401 -0.949 -7.854 -2.646 1.00 0.00 C ATOM 567 C ASP A 401 -0.097 -8.926 -1.954 1.00 0.00 C ATOM 568 O ASP A 401 -0.056 -8.993 -0.742 1.00 0.00 O ATOM 569 CB ASP A 401 -0.251 -6.496 -2.620 1.00 0.00 C ATOM 570 CG ASP A 401 -0.862 -5.593 -3.695 1.00 0.00 C ATOM 571 OD1 ASP A 401 -0.881 -6.002 -4.844 1.00 0.00 O ATOM 572 OD2 ASP A 401 -1.297 -4.505 -3.351 1.00 0.00 O ATOM 0 H ASP A 401 -2.092 -7.319 -0.927 1.00 0.00 H new ATOM 0 HA ASP A 401 -1.121 -8.173 -3.674 1.00 0.00 H new ATOM 0 HB2 ASP A 401 -0.360 -6.037 -1.638 1.00 0.00 H new ATOM 0 HB3 ASP A 401 0.817 -6.620 -2.797 1.00 0.00 H new ATOM 577 N SER A 402 0.551 -9.787 -2.703 1.00 0.00 N ATOM 578 CA SER A 402 1.364 -10.884 -2.060 1.00 0.00 C ATOM 579 C SER A 402 2.314 -10.371 -0.962 1.00 0.00 C ATOM 580 O SER A 402 2.696 -11.137 -0.095 1.00 0.00 O ATOM 581 CB SER A 402 2.189 -11.532 -3.181 1.00 0.00 C ATOM 582 OG SER A 402 1.367 -12.439 -3.903 1.00 0.00 O ATOM 0 H SER A 402 0.556 -9.783 -3.723 1.00 0.00 H new ATOM 0 HA SER A 402 0.687 -11.586 -1.573 1.00 0.00 H new ATOM 0 HB2 SER A 402 2.580 -10.766 -3.850 1.00 0.00 H new ATOM 0 HB3 SER A 402 3.047 -12.056 -2.761 1.00 0.00 H new ATOM 0 HG SER A 402 1.890 -12.854 -4.621 1.00 0.00 H new ATOM 588 N ASP A 403 2.748 -9.123 -0.987 1.00 0.00 N ATOM 589 CA ASP A 403 3.720 -8.666 0.068 1.00 0.00 C ATOM 590 C ASP A 403 3.057 -7.884 1.219 1.00 0.00 C ATOM 591 O ASP A 403 3.758 -7.294 2.022 1.00 0.00 O ATOM 592 CB ASP A 403 4.724 -7.765 -0.668 1.00 0.00 C ATOM 593 CG ASP A 403 5.511 -8.590 -1.694 1.00 0.00 C ATOM 594 OD1 ASP A 403 4.998 -9.603 -2.143 1.00 0.00 O ATOM 595 OD2 ASP A 403 6.619 -8.191 -2.015 1.00 0.00 O ATOM 0 H ASP A 403 2.479 -8.419 -1.674 1.00 0.00 H new ATOM 0 HA ASP A 403 4.183 -9.531 0.542 1.00 0.00 H new ATOM 0 HB2 ASP A 403 4.198 -6.952 -1.169 1.00 0.00 H new ATOM 0 HB3 ASP A 403 5.409 -7.309 0.047 1.00 0.00 H new ATOM 600 N TYR A 404 1.737 -7.857 1.335 1.00 0.00 N ATOM 601 CA TYR A 404 1.101 -7.092 2.478 1.00 0.00 C ATOM 602 C TYR A 404 1.736 -7.536 3.810 1.00 0.00 C ATOM 603 O TYR A 404 2.076 -8.694 3.975 1.00 0.00 O ATOM 604 CB TYR A 404 -0.405 -7.431 2.458 1.00 0.00 C ATOM 605 CG TYR A 404 -1.193 -6.463 3.322 1.00 0.00 C ATOM 606 CD1 TYR A 404 -0.886 -5.069 3.337 1.00 0.00 C ATOM 607 CD2 TYR A 404 -2.268 -6.954 4.109 1.00 0.00 C ATOM 608 CE1 TYR A 404 -1.651 -4.182 4.142 1.00 0.00 C ATOM 609 CE2 TYR A 404 -3.034 -6.066 4.906 1.00 0.00 C ATOM 610 CZ TYR A 404 -2.725 -4.680 4.924 1.00 0.00 C ATOM 611 OH TYR A 404 -3.471 -3.819 5.700 1.00 0.00 O ATOM 0 H TYR A 404 1.085 -8.321 0.703 1.00 0.00 H new ATOM 0 HA TYR A 404 1.253 -6.018 2.375 1.00 0.00 H new ATOM 0 HB2 TYR A 404 -0.776 -7.394 1.434 1.00 0.00 H new ATOM 0 HB3 TYR A 404 -0.557 -8.449 2.816 1.00 0.00 H new ATOM 0 HD1 TYR A 404 -0.073 -4.688 2.737 1.00 0.00 H new ATOM 0 HD2 TYR A 404 -2.503 -8.008 4.101 1.00 0.00 H new ATOM 0 HE1 TYR A 404 -1.415 -3.128 4.158 1.00 0.00 H new ATOM 0 HE2 TYR A 404 -3.853 -6.444 5.500 1.00 0.00 H new ATOM 0 HH TYR A 404 -4.167 -4.323 6.171 1.00 0.00 H new ATOM 621 N GLY A 405 1.935 -6.629 4.740 1.00 0.00 N ATOM 622 CA GLY A 405 2.589 -7.031 6.028 1.00 0.00 C ATOM 623 C GLY A 405 1.873 -6.441 7.249 1.00 0.00 C ATOM 624 O GLY A 405 2.495 -6.208 8.269 1.00 0.00 O ATOM 0 H GLY A 405 1.678 -5.645 4.666 1.00 0.00 H new ATOM 0 HA2 GLY A 405 2.599 -8.118 6.105 1.00 0.00 H new ATOM 0 HA3 GLY A 405 3.628 -6.702 6.024 1.00 0.00 H new ATOM 628 N GLY A 406 0.583 -6.202 7.175 1.00 0.00 N ATOM 629 CA GLY A 406 -0.141 -5.648 8.330 1.00 0.00 C ATOM 630 C GLY A 406 -1.515 -6.325 8.382 1.00 0.00 C ATOM 631 O GLY A 406 -2.124 -6.569 7.367 1.00 0.00 O ATOM 0 H GLY A 406 0.009 -6.374 6.349 1.00 0.00 H new ATOM 0 HA2 GLY A 406 0.411 -5.831 9.252 1.00 0.00 H new ATOM 0 HA3 GLY A 406 -0.250 -4.568 8.232 1.00 0.00 H new ATOM 635 N VAL A 407 -2.006 -6.608 9.543 1.00 0.00 N ATOM 636 CA VAL A 407 -3.353 -7.244 9.660 1.00 0.00 C ATOM 637 C VAL A 407 -4.189 -6.435 10.655 1.00 0.00 C ATOM 638 O VAL A 407 -4.427 -6.858 11.771 1.00 0.00 O ATOM 639 CB VAL A 407 -3.112 -8.672 10.154 1.00 0.00 C ATOM 640 CG1 VAL A 407 -4.457 -9.382 10.332 1.00 0.00 C ATOM 641 CG2 VAL A 407 -2.290 -9.424 9.106 1.00 0.00 C ATOM 0 H VAL A 407 -1.536 -6.428 10.430 1.00 0.00 H new ATOM 0 HA VAL A 407 -3.895 -7.266 8.715 1.00 0.00 H new ATOM 0 HB VAL A 407 -2.580 -8.648 11.105 1.00 0.00 H new ATOM 0 HG11 VAL A 407 -4.287 -10.400 10.684 1.00 0.00 H new ATOM 0 HG12 VAL A 407 -5.060 -8.841 11.062 1.00 0.00 H new ATOM 0 HG13 VAL A 407 -4.982 -9.411 9.377 1.00 0.00 H new ATOM 0 HG21 VAL A 407 -2.111 -10.444 9.447 1.00 0.00 H new ATOM 0 HG22 VAL A 407 -2.836 -9.447 8.163 1.00 0.00 H new ATOM 0 HG23 VAL A 407 -1.336 -8.918 8.960 1.00 0.00 H new ATOM 651 N GLN A 408 -4.625 -5.261 10.253 1.00 0.00 N ATOM 652 CA GLN A 408 -5.438 -4.406 11.178 1.00 0.00 C ATOM 653 C GLN A 408 -6.896 -4.894 11.197 1.00 0.00 C ATOM 654 O GLN A 408 -7.720 -4.428 10.431 1.00 0.00 O ATOM 655 CB GLN A 408 -5.355 -2.963 10.633 1.00 0.00 C ATOM 656 CG GLN A 408 -3.880 -2.560 10.418 1.00 0.00 C ATOM 657 CD GLN A 408 -3.590 -2.416 8.914 1.00 0.00 C ATOM 658 OE1 GLN A 408 -4.484 -2.136 8.142 1.00 0.00 O ATOM 659 NE2 GLN A 408 -2.369 -2.587 8.458 1.00 0.00 N ATOM 0 H GLN A 408 -4.454 -4.861 9.330 1.00 0.00 H new ATOM 0 HA GLN A 408 -5.062 -4.456 12.200 1.00 0.00 H new ATOM 0 HB2 GLN A 408 -5.901 -2.889 9.692 1.00 0.00 H new ATOM 0 HB3 GLN A 408 -5.830 -2.274 11.332 1.00 0.00 H new ATOM 0 HG2 GLN A 408 -3.673 -1.620 10.929 1.00 0.00 H new ATOM 0 HG3 GLN A 408 -3.221 -3.311 10.854 1.00 0.00 H new ATOM 0 HE21 GLN A 408 -1.613 -2.822 9.101 1.00 0.00 H new ATOM 0 HE22 GLN A 408 -2.178 -2.484 7.461 1.00 0.00 H new ATOM 668 N ILE A 409 -7.228 -5.822 12.072 1.00 0.00 N ATOM 669 CA ILE A 409 -8.641 -6.319 12.133 1.00 0.00 C ATOM 670 C ILE A 409 -9.364 -5.696 13.340 1.00 0.00 C ATOM 671 O ILE A 409 -9.544 -6.341 14.358 1.00 0.00 O ATOM 672 CB ILE A 409 -8.546 -7.846 12.287 1.00 0.00 C ATOM 673 CG1 ILE A 409 -7.833 -8.443 11.070 1.00 0.00 C ATOM 674 CG2 ILE A 409 -9.953 -8.444 12.387 1.00 0.00 C ATOM 675 CD1 ILE A 409 -7.323 -9.842 11.420 1.00 0.00 C ATOM 0 H ILE A 409 -6.586 -6.251 12.739 1.00 0.00 H new ATOM 0 HA ILE A 409 -9.206 -6.048 11.241 1.00 0.00 H new ATOM 0 HB ILE A 409 -7.985 -8.078 13.192 1.00 0.00 H new ATOM 0 HG12 ILE A 409 -8.516 -8.494 10.222 1.00 0.00 H new ATOM 0 HG13 ILE A 409 -7.002 -7.804 10.771 1.00 0.00 H new ATOM 0 HG21 ILE A 409 -9.881 -9.526 12.496 1.00 0.00 H new ATOM 0 HG22 ILE A 409 -10.466 -8.025 13.253 1.00 0.00 H new ATOM 0 HG23 ILE A 409 -10.514 -8.207 11.483 1.00 0.00 H new ATOM 0 HD11 ILE A 409 -6.815 -10.271 10.556 1.00 0.00 H new ATOM 0 HD12 ILE A 409 -6.626 -9.777 12.256 1.00 0.00 H new ATOM 0 HD13 ILE A 409 -8.164 -10.477 11.698 1.00 0.00 H new ATOM 687 N VAL A 410 -9.790 -4.454 13.234 1.00 0.00 N ATOM 688 CA VAL A 410 -10.507 -3.809 14.377 1.00 0.00 C ATOM 689 C VAL A 410 -11.969 -3.539 13.983 1.00 0.00 C ATOM 690 O VAL A 410 -12.394 -2.400 13.907 1.00 0.00 O ATOM 691 CB VAL A 410 -9.763 -2.490 14.630 1.00 0.00 C ATOM 692 CG1 VAL A 410 -10.407 -1.752 15.806 1.00 0.00 C ATOM 693 CG2 VAL A 410 -8.295 -2.782 14.957 1.00 0.00 C ATOM 0 H VAL A 410 -9.671 -3.866 12.409 1.00 0.00 H new ATOM 0 HA VAL A 410 -10.521 -4.437 15.268 1.00 0.00 H new ATOM 0 HB VAL A 410 -9.821 -1.869 13.736 1.00 0.00 H new ATOM 0 HG11 VAL A 410 -9.877 -0.816 15.983 1.00 0.00 H new ATOM 0 HG12 VAL A 410 -11.451 -1.539 15.574 1.00 0.00 H new ATOM 0 HG13 VAL A 410 -10.353 -2.374 16.699 1.00 0.00 H new ATOM 0 HG21 VAL A 410 -7.769 -1.844 15.136 1.00 0.00 H new ATOM 0 HG22 VAL A 410 -8.238 -3.406 15.849 1.00 0.00 H new ATOM 0 HG23 VAL A 410 -7.832 -3.303 14.119 1.00 0.00 H new ATOM 703 N GLY A 411 -12.741 -4.575 13.719 1.00 0.00 N ATOM 704 CA GLY A 411 -14.165 -4.363 13.320 1.00 0.00 C ATOM 705 C GLY A 411 -14.384 -4.920 11.913 1.00 0.00 C ATOM 706 O GLY A 411 -15.350 -5.608 11.661 1.00 0.00 O ATOM 0 H GLY A 411 -12.443 -5.549 13.764 1.00 0.00 H new ATOM 0 HA2 GLY A 411 -14.830 -4.858 14.027 1.00 0.00 H new ATOM 0 HA3 GLY A 411 -14.407 -3.301 13.345 1.00 0.00 H new ATOM 710 N GLN A 412 -13.492 -4.614 10.992 1.00 0.00 N ATOM 711 CA GLN A 412 -13.602 -5.092 9.577 1.00 0.00 C ATOM 712 C GLN A 412 -14.829 -4.475 8.882 1.00 0.00 C ATOM 713 O GLN A 412 -14.687 -3.699 7.955 1.00 0.00 O ATOM 714 CB GLN A 412 -13.694 -6.629 9.616 1.00 0.00 C ATOM 715 CG GLN A 412 -12.474 -7.199 10.343 1.00 0.00 C ATOM 716 CD GLN A 412 -12.849 -8.530 11.008 1.00 0.00 C ATOM 717 OE1 GLN A 412 -12.585 -9.584 10.464 1.00 0.00 O ATOM 718 NE2 GLN A 412 -13.458 -8.531 12.168 1.00 0.00 N ATOM 0 H GLN A 412 -12.671 -4.036 11.173 1.00 0.00 H new ATOM 0 HA GLN A 412 -12.730 -4.783 9.000 1.00 0.00 H new ATOM 0 HB2 GLN A 412 -14.608 -6.936 10.124 1.00 0.00 H new ATOM 0 HB3 GLN A 412 -13.744 -7.026 8.602 1.00 0.00 H new ATOM 0 HG2 GLN A 412 -11.656 -7.350 9.639 1.00 0.00 H new ATOM 0 HG3 GLN A 412 -12.122 -6.492 11.094 1.00 0.00 H new ATOM 0 HE21 GLN A 412 -13.681 -7.648 12.628 1.00 0.00 H new ATOM 0 HE22 GLN A 412 -13.709 -9.415 12.612 1.00 0.00 H new ATOM 727 N ASP A 413 -16.025 -4.806 9.313 1.00 0.00 N ATOM 728 CA ASP A 413 -17.245 -4.225 8.663 1.00 0.00 C ATOM 729 C ASP A 413 -18.466 -4.325 9.595 1.00 0.00 C ATOM 730 O ASP A 413 -19.563 -4.607 9.152 1.00 0.00 O ATOM 731 CB ASP A 413 -17.463 -5.072 7.409 1.00 0.00 C ATOM 732 CG ASP A 413 -18.008 -4.189 6.284 1.00 0.00 C ATOM 733 OD1 ASP A 413 -19.216 -4.032 6.214 1.00 0.00 O ATOM 734 OD2 ASP A 413 -17.209 -3.686 5.512 1.00 0.00 O ATOM 0 H ASP A 413 -16.208 -5.450 10.083 1.00 0.00 H new ATOM 0 HA ASP A 413 -17.117 -3.167 8.433 1.00 0.00 H new ATOM 0 HB2 ASP A 413 -16.525 -5.533 7.101 1.00 0.00 H new ATOM 0 HB3 ASP A 413 -18.162 -5.881 7.621 1.00 0.00 H new ATOM 739 N GLU A 414 -18.292 -4.097 10.885 1.00 0.00 N ATOM 740 CA GLU A 414 -19.447 -4.181 11.839 1.00 0.00 C ATOM 741 C GLU A 414 -20.199 -5.513 11.674 1.00 0.00 C ATOM 742 O GLU A 414 -21.414 -5.547 11.697 1.00 0.00 O ATOM 743 CB GLU A 414 -20.357 -3.004 11.479 1.00 0.00 C ATOM 744 CG GLU A 414 -20.974 -2.427 12.753 1.00 0.00 C ATOM 745 CD GLU A 414 -20.117 -1.264 13.256 1.00 0.00 C ATOM 746 OE1 GLU A 414 -19.753 -0.429 12.445 1.00 0.00 O ATOM 747 OE2 GLU A 414 -19.840 -1.228 14.443 1.00 0.00 O ATOM 0 H GLU A 414 -17.398 -3.857 11.313 1.00 0.00 H new ATOM 0 HA GLU A 414 -19.115 -4.138 12.876 1.00 0.00 H new ATOM 0 HB2 GLU A 414 -19.786 -2.235 10.959 1.00 0.00 H new ATOM 0 HB3 GLU A 414 -21.143 -3.333 10.799 1.00 0.00 H new ATOM 0 HG2 GLU A 414 -21.990 -2.085 12.555 1.00 0.00 H new ATOM 0 HG3 GLU A 414 -21.042 -3.200 13.519 1.00 0.00 H new ATOM 754 N THR A 415 -19.487 -6.610 11.514 1.00 0.00 N ATOM 755 CA THR A 415 -20.171 -7.928 11.356 1.00 0.00 C ATOM 756 C THR A 415 -19.533 -8.969 12.287 1.00 0.00 C ATOM 757 O THR A 415 -18.990 -9.962 11.834 1.00 0.00 O ATOM 758 CB THR A 415 -19.981 -8.323 9.888 1.00 0.00 C ATOM 759 OG1 THR A 415 -20.559 -9.603 9.668 1.00 0.00 O ATOM 760 CG2 THR A 415 -18.489 -8.374 9.543 1.00 0.00 C ATOM 0 H THR A 415 -18.468 -6.644 11.487 1.00 0.00 H new ATOM 0 HA THR A 415 -21.228 -7.872 11.617 1.00 0.00 H new ATOM 0 HB THR A 415 -20.467 -7.582 9.254 1.00 0.00 H new ATOM 0 HG1 THR A 415 -20.094 -10.270 10.215 1.00 0.00 H new ATOM 0 HG21 THR A 415 -18.367 -8.656 8.497 1.00 0.00 H new ATOM 0 HG22 THR A 415 -18.043 -7.393 9.709 1.00 0.00 H new ATOM 0 HG23 THR A 415 -17.994 -9.109 10.177 1.00 0.00 H new ATOM 768 N ASP A 416 -19.602 -8.761 13.586 1.00 0.00 N ATOM 769 CA ASP A 416 -19.004 -9.757 14.531 1.00 0.00 C ATOM 770 C ASP A 416 -20.113 -10.617 15.157 1.00 0.00 C ATOM 771 O ASP A 416 -20.061 -10.939 16.329 1.00 0.00 O ATOM 772 CB ASP A 416 -18.289 -8.933 15.608 1.00 0.00 C ATOM 773 CG ASP A 416 -17.198 -9.783 16.259 1.00 0.00 C ATOM 774 OD1 ASP A 416 -17.469 -10.934 16.560 1.00 0.00 O ATOM 775 OD2 ASP A 416 -16.106 -9.269 16.447 1.00 0.00 O ATOM 0 H ASP A 416 -20.042 -7.953 14.025 1.00 0.00 H new ATOM 0 HA ASP A 416 -18.315 -10.434 14.027 1.00 0.00 H new ATOM 0 HB2 ASP A 416 -17.852 -8.038 15.166 1.00 0.00 H new ATOM 0 HB3 ASP A 416 -19.004 -8.600 16.361 1.00 0.00 H new ATOM 780 N ASP A 417 -21.118 -10.996 14.389 1.00 0.00 N ATOM 781 CA ASP A 417 -22.219 -11.835 14.955 1.00 0.00 C ATOM 782 C ASP A 417 -22.705 -12.849 13.914 1.00 0.00 C ATOM 783 O ASP A 417 -23.577 -13.637 14.246 1.00 0.00 O ATOM 784 CB ASP A 417 -23.335 -10.846 15.315 1.00 0.00 C ATOM 785 CG ASP A 417 -23.772 -10.069 14.069 1.00 0.00 C ATOM 786 OD1 ASP A 417 -22.966 -9.312 13.553 1.00 0.00 O ATOM 787 OD2 ASP A 417 -24.905 -10.245 13.652 1.00 0.00 O ATOM 0 H ASP A 417 -21.217 -10.759 13.402 1.00 0.00 H new ATOM 0 HA ASP A 417 -21.894 -12.409 15.823 1.00 0.00 H new ATOM 0 HB2 ASP A 417 -24.186 -11.383 15.735 1.00 0.00 H new ATOM 0 HB3 ASP A 417 -22.985 -10.154 16.081 1.00 0.00 H new TER 792 ASP A 417 HETATM 793 ZN ZN A1001 -0.957 3.349 0.373 1.00 0.00 ZN HETATM 794 O5' ADN A1002 -6.557 13.911 8.603 1.00 0.00 O HETATM 795 C5' ADN A1002 -6.272 12.522 8.478 1.00 0.00 C HETATM 796 C4' ADN A1002 -5.251 12.293 7.390 1.00 0.00 C HETATM 797 O4' ADN A1002 -4.897 10.883 7.361 1.00 0.00 O HETATM 798 C3' ADN A1002 -5.728 12.607 5.978 1.00 0.00 C HETATM 799 O3' ADN A1002 -5.521 13.969 5.624 1.00 0.00 O HETATM 800 C2' ADN A1002 -4.870 11.678 5.130 1.00 0.00 C HETATM 801 O2' ADN A1002 -3.564 12.212 4.982 1.00 0.00 O HETATM 802 C1' ADN A1002 -4.819 10.437 6.018 1.00 0.00 C HETATM 803 N9 ADN A1002 -5.879 9.450 5.777 1.00 0.00 N HETATM 804 C8 ADN A1002 -7.087 9.327 6.426 1.00 0.00 C HETATM 805 N7 ADN A1002 -7.832 8.339 5.989 1.00 0.00 N HETATM 806 C5 ADN A1002 -7.071 7.769 4.983 1.00 0.00 C HETATM 807 C6 ADN A1002 -7.290 6.659 4.100 1.00 0.00 C HETATM 808 N6 ADN A1002 -8.399 5.916 4.119 1.00 0.00 N HETATM 809 N1 ADN A1002 -6.309 6.348 3.192 1.00 0.00 N HETATM 810 C2 ADN A1002 -5.176 7.104 3.169 1.00 0.00 C HETATM 811 N3 ADN A1002 -4.860 8.169 3.950 1.00 0.00 N HETATM 812 C4 ADN A1002 -5.856 8.447 4.837 1.00 0.00 C HETATM 0 HO5' ADN A1002 -7.222 14.046 9.310 1.00 0.00 H new HETATM 0 HO3' ADN A1002 -4.653 14.063 5.179 1.00 0.00 H new HETATM 0 HN62 ADN A1002 -8.503 5.138 3.468 1.00 0.00 H new HETATM 0 HN61 ADN A1002 -9.143 6.127 4.784 1.00 0.00 H new HETATM 0 H5'2 ADN A1002 -5.897 12.134 9.425 1.00 0.00 H new HETATM 0 H5'1 ADN A1002 -7.187 11.975 8.249 1.00 0.00 H new HETATM 0 H8 ADN A1002 -7.397 9.992 7.232 1.00 0.00 H new HETATM 0 H4' ADN A1002 -4.430 12.966 7.639 1.00 0.00 H new HETATM 0 H3' ADN A1002 -6.800 12.459 5.851 1.00 0.00 H new HETATM 0 H2' ADN A1002 -5.250 11.509 4.123 1.00 0.00 H new HETATM 0 H2 ADN A1002 -4.428 6.818 2.430 1.00 0.00 H new HETATM 0 H1' ADN A1002 -3.890 9.915 5.787 1.00 0.00 H new HETATM 825 O5' RIB A1003 -1.768 15.195 1.382 1.00 0.00 O HETATM 826 C5' RIB A1003 -1.358 13.844 1.184 1.00 0.00 C HETATM 827 C4' RIB A1003 -1.366 13.099 2.497 1.00 0.00 C HETATM 828 O4' RIB A1003 -2.650 13.287 3.149 1.00 0.00 O HETATM 829 C3' RIB A1003 -1.172 11.592 2.401 1.00 0.00 C HETATM 830 O3' RIB A1003 0.206 11.240 2.463 1.00 0.00 O HETATM 831 C2' RIB A1003 -1.946 11.070 3.605 1.00 0.00 C HETATM 832 O2' RIB A1003 -1.178 11.195 4.786 1.00 0.00 O HETATM 833 C1' RIB A1003 -3.118 12.049 3.651 1.00 0.00 C HETATM 0 HO5' RIB A1003 -2.319 15.255 2.190 1.00 0.00 H new HETATM 0 HO3' RIB A1003 0.467 11.105 3.398 1.00 0.00 H new HETATM 0 HO2' RIB A1003 -1.754 11.492 5.521 1.00 0.00 H new HETATM 0 H5'2 RIB A1003 -2.026 13.354 0.475 1.00 0.00 H new HETATM 0 H5'1 RIB A1003 -0.359 13.820 0.750 1.00 0.00 H new HETATM 0 H4' RIB A1003 -0.518 13.513 3.043 1.00 0.00 H new HETATM 0 H3' RIB A1003 -1.522 11.172 1.458 1.00 0.00 H new HETATM 0 H2' RIB A1003 -2.224 10.019 3.532 1.00 0.00 H new