USER MOD reduce.3.24.130724 H: found=0, std=0, add=392, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 396 hydrogens (21 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 392 HIS HE2 : A 392 HIS NE2 : A1001 ZNZN :(H bumps) USER MOD NoAdj-H: A 398 HIS HE2 : A 398 HIS NE2 : A1001 ZNZN :(H bumps) USER MOD Set 1.1: A 380 MET CE :methyl 146:sc= -0.579 (180deg=-3.84!) USER MOD Set 1.2: A1003 RIB O2' : rot 140:sc= 0.446 USER MOD Single : A 367 SER OG : rot 28:sc= 0.00118 USER MOD Single : A 369 SER OG : rot 180:sc= 0 USER MOD Single : A 372 ASN : amide:sc= -0.203 X(o=-0.2,f=-0.2) USER MOD Single : A 373 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.215) 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 112:sc= 1.13 USER MOD Single : A 381 TYR OH : rot 112:sc= 0.885 USER MOD Single : A 384 ASN : amide:sc= -2.01 K(o=-2,f=-0.54) USER MOD Single : A 386 TYR OH : rot 114:sc= -1.14 USER MOD Single : A 388 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 389 ASN : amide:sc= 0 X(o=0,f=-0.098) USER MOD Single : A 394 GLN : amide:sc= -2.08 X(o=-2.1,f=-2.6!) USER MOD Single : A 395 HIS : no HD1:sc= -2.01 X(o=-2,f=-2) USER MOD Single : A 397 SER OG : rot 155:sc= -2.05! USER MOD Single : A 402 SER OG : rot 180:sc= 0 USER MOD Single : A 404 TYR OH : rot -90:sc= 0.954 USER MOD Single : A 408 GLN : amide:sc= -3.34 K(o=-3.3,f=-1.7) USER MOD Single : A 412 GLN : amide:sc= -6.36! C(o=-6.4!,f=-5.5!) USER MOD Single : A 415 THR OG1 : rot -68:sc= 0.488 USER MOD Single : A1002 ADN O3' : rot 92:sc= 0.136 USER MOD Single : A1002 ADN O5' : rot 180:sc= 0 USER MOD Single : A1003 RIB O3' : rot 87:sc= 0.132 USER MOD Single : A1003 RIB O5' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 363 31.499 1.983 -4.566 1.00 0.00 N ATOM 2 CA GLY A 363 30.644 0.885 -5.100 1.00 0.00 C ATOM 3 C GLY A 363 29.169 1.311 -5.052 1.00 0.00 C ATOM 4 O GLY A 363 28.642 1.794 -6.034 1.00 0.00 O ATOM 0 HA2 GLY A 363 30.932 0.652 -6.125 1.00 0.00 H new ATOM 0 HA3 GLY A 363 30.790 -0.022 -4.513 1.00 0.00 H new ATOM 10 N PRO A 364 28.542 1.122 -3.910 1.00 0.00 N ATOM 11 CA PRO A 364 27.114 1.504 -3.768 1.00 0.00 C ATOM 12 C PRO A 364 26.971 3.033 -3.708 1.00 0.00 C ATOM 13 O PRO A 364 27.692 3.695 -2.984 1.00 0.00 O ATOM 14 CB PRO A 364 26.699 0.867 -2.445 1.00 0.00 C ATOM 15 CG PRO A 364 27.968 0.725 -1.666 1.00 0.00 C ATOM 16 CD PRO A 364 29.082 0.548 -2.664 1.00 0.00 C ATOM 0 HA PRO A 364 26.498 1.174 -4.604 1.00 0.00 H new ATOM 0 HB2 PRO A 364 25.979 1.491 -1.916 1.00 0.00 H new ATOM 0 HB3 PRO A 364 26.224 -0.101 -2.605 1.00 0.00 H new ATOM 0 HG2 PRO A 364 28.141 1.606 -1.048 1.00 0.00 H new ATOM 0 HG3 PRO A 364 27.914 -0.131 -0.993 1.00 0.00 H new ATOM 0 HD2 PRO A 364 29.988 1.065 -2.347 1.00 0.00 H new ATOM 0 HD3 PRO A 364 29.342 -0.503 -2.789 1.00 0.00 H new ATOM 24 N LEU A 365 26.050 3.602 -4.459 1.00 0.00 N ATOM 25 CA LEU A 365 25.874 5.086 -4.434 1.00 0.00 C ATOM 26 C LEU A 365 24.481 5.445 -3.894 1.00 0.00 C ATOM 27 O LEU A 365 24.359 6.043 -2.840 1.00 0.00 O ATOM 28 CB LEU A 365 26.015 5.529 -5.896 1.00 0.00 C ATOM 29 CG LEU A 365 27.397 6.160 -6.134 1.00 0.00 C ATOM 30 CD1 LEU A 365 27.573 7.388 -5.236 1.00 0.00 C ATOM 31 CD2 LEU A 365 28.496 5.138 -5.824 1.00 0.00 C ATOM 0 H LEU A 365 25.418 3.101 -5.084 1.00 0.00 H new ATOM 0 HA LEU A 365 26.602 5.577 -3.788 1.00 0.00 H new ATOM 0 HB2 LEU A 365 25.881 4.673 -6.557 1.00 0.00 H new ATOM 0 HB3 LEU A 365 25.233 6.247 -6.142 1.00 0.00 H new ATOM 0 HG LEU A 365 27.471 6.465 -7.178 1.00 0.00 H new ATOM 0 HD11 LEU A 365 28.554 7.829 -5.411 1.00 0.00 H new ATOM 0 HD12 LEU A 365 26.800 8.121 -5.466 1.00 0.00 H new ATOM 0 HD13 LEU A 365 27.490 7.089 -4.191 1.00 0.00 H new ATOM 0 HD21 LEU A 365 29.473 5.591 -5.995 1.00 0.00 H new ATOM 0 HD22 LEU A 365 28.418 4.825 -4.783 1.00 0.00 H new ATOM 0 HD23 LEU A 365 28.380 4.271 -6.474 1.00 0.00 H new ATOM 43 N GLY A 366 23.427 5.089 -4.601 1.00 0.00 N ATOM 44 CA GLY A 366 22.053 5.417 -4.117 1.00 0.00 C ATOM 45 C GLY A 366 21.151 4.182 -4.254 1.00 0.00 C ATOM 46 O GLY A 366 21.186 3.496 -5.258 1.00 0.00 O ATOM 0 H GLY A 366 23.465 4.587 -5.488 1.00 0.00 H new ATOM 0 HA2 GLY A 366 22.090 5.739 -3.076 1.00 0.00 H new ATOM 0 HA3 GLY A 366 21.642 6.246 -4.693 1.00 0.00 H new ATOM 50 N SER A 367 20.343 3.889 -3.254 1.00 0.00 N ATOM 51 CA SER A 367 19.447 2.698 -3.340 1.00 0.00 C ATOM 52 C SER A 367 18.081 3.015 -2.712 1.00 0.00 C ATOM 53 O SER A 367 17.877 2.800 -1.531 1.00 0.00 O ATOM 54 CB SER A 367 20.162 1.607 -2.545 1.00 0.00 C ATOM 55 OG SER A 367 20.944 0.815 -3.431 1.00 0.00 O ATOM 0 H SER A 367 20.270 4.425 -2.389 1.00 0.00 H new ATOM 0 HA SER A 367 19.260 2.395 -4.370 1.00 0.00 H new ATOM 0 HB2 SER A 367 20.798 2.055 -1.782 1.00 0.00 H new ATOM 0 HB3 SER A 367 19.434 0.982 -2.027 1.00 0.00 H new ATOM 0 HG SER A 367 21.213 1.356 -4.203 1.00 0.00 H new ATOM 61 N GLY A 368 17.142 3.522 -3.486 1.00 0.00 N ATOM 62 CA GLY A 368 15.799 3.846 -2.920 1.00 0.00 C ATOM 63 C GLY A 368 14.704 3.289 -3.841 1.00 0.00 C ATOM 64 O GLY A 368 13.930 4.037 -4.407 1.00 0.00 O ATOM 0 H GLY A 368 17.253 3.722 -4.480 1.00 0.00 H new ATOM 0 HA2 GLY A 368 15.701 3.419 -1.922 1.00 0.00 H new ATOM 0 HA3 GLY A 368 15.687 4.925 -2.817 1.00 0.00 H new ATOM 68 N SER A 369 14.630 1.982 -3.998 1.00 0.00 N ATOM 69 CA SER A 369 13.581 1.392 -4.885 1.00 0.00 C ATOM 70 C SER A 369 13.090 0.053 -4.313 1.00 0.00 C ATOM 71 O SER A 369 13.878 -0.836 -4.052 1.00 0.00 O ATOM 72 CB SER A 369 14.274 1.179 -6.229 1.00 0.00 C ATOM 73 OG SER A 369 14.548 2.441 -6.822 1.00 0.00 O ATOM 0 H SER A 369 15.250 1.307 -3.551 1.00 0.00 H new ATOM 0 HA SER A 369 12.707 2.037 -4.974 1.00 0.00 H new ATOM 0 HB2 SER A 369 15.200 0.621 -6.089 1.00 0.00 H new ATOM 0 HB3 SER A 369 13.640 0.585 -6.888 1.00 0.00 H new ATOM 0 HG SER A 369 14.994 2.307 -7.684 1.00 0.00 H new ATOM 79 N GLU A 370 11.796 -0.103 -4.114 1.00 0.00 N ATOM 80 CA GLU A 370 11.273 -1.389 -3.559 1.00 0.00 C ATOM 81 C GLU A 370 9.957 -1.766 -4.257 1.00 0.00 C ATOM 82 O GLU A 370 9.632 -1.228 -5.299 1.00 0.00 O ATOM 83 CB GLU A 370 11.039 -1.112 -2.071 1.00 0.00 C ATOM 84 CG GLU A 370 11.592 -2.270 -1.237 1.00 0.00 C ATOM 85 CD GLU A 370 11.888 -1.783 0.184 1.00 0.00 C ATOM 86 OE1 GLU A 370 12.323 -0.652 0.322 1.00 0.00 O ATOM 87 OE2 GLU A 370 11.674 -2.550 1.108 1.00 0.00 O ATOM 0 H GLU A 370 11.088 0.604 -4.312 1.00 0.00 H new ATOM 0 HA GLU A 370 11.962 -2.220 -3.712 1.00 0.00 H new ATOM 0 HB2 GLU A 370 11.525 -0.180 -1.784 1.00 0.00 H new ATOM 0 HB3 GLU A 370 9.973 -0.988 -1.877 1.00 0.00 H new ATOM 0 HG2 GLU A 370 10.872 -3.088 -1.209 1.00 0.00 H new ATOM 0 HG3 GLU A 370 12.501 -2.660 -1.695 1.00 0.00 H new ATOM 94 N GLY A 371 9.194 -2.685 -3.697 1.00 0.00 N ATOM 95 CA GLY A 371 7.905 -3.081 -4.339 1.00 0.00 C ATOM 96 C GLY A 371 8.169 -4.150 -5.409 1.00 0.00 C ATOM 97 O GLY A 371 7.595 -4.110 -6.480 1.00 0.00 O ATOM 0 H GLY A 371 9.413 -3.172 -2.828 1.00 0.00 H new ATOM 0 HA2 GLY A 371 7.216 -3.467 -3.587 1.00 0.00 H new ATOM 0 HA3 GLY A 371 7.429 -2.210 -4.790 1.00 0.00 H new ATOM 101 N ASN A 372 9.034 -5.107 -5.132 1.00 0.00 N ATOM 102 CA ASN A 372 9.323 -6.168 -6.143 1.00 0.00 C ATOM 103 C ASN A 372 9.418 -7.543 -5.463 1.00 0.00 C ATOM 104 O ASN A 372 8.618 -8.421 -5.726 1.00 0.00 O ATOM 105 CB ASN A 372 10.668 -5.774 -6.753 1.00 0.00 C ATOM 106 CG ASN A 372 10.490 -4.516 -7.613 1.00 0.00 C ATOM 107 OD1 ASN A 372 10.993 -3.464 -7.273 1.00 0.00 O ATOM 108 ND2 ASN A 372 9.792 -4.575 -8.721 1.00 0.00 N ATOM 0 H ASN A 372 9.546 -5.193 -4.254 1.00 0.00 H new ATOM 0 HA ASN A 372 8.540 -6.245 -6.897 1.00 0.00 H new ATOM 0 HB2 ASN A 372 11.397 -5.588 -5.964 1.00 0.00 H new ATOM 0 HB3 ASN A 372 11.057 -6.591 -7.361 1.00 0.00 H new ATOM 0 HD21 ASN A 372 9.673 -3.740 -9.294 1.00 0.00 H new ATOM 0 HD22 ASN A 372 9.368 -5.456 -9.010 1.00 0.00 H new ATOM 115 N LYS A 373 10.385 -7.743 -4.589 1.00 0.00 N ATOM 116 CA LYS A 373 10.513 -9.063 -3.901 1.00 0.00 C ATOM 117 C LYS A 373 10.880 -8.859 -2.424 1.00 0.00 C ATOM 118 O LYS A 373 11.862 -9.398 -1.946 1.00 0.00 O ATOM 119 CB LYS A 373 11.634 -9.796 -4.645 1.00 0.00 C ATOM 120 CG LYS A 373 11.097 -10.354 -5.967 1.00 0.00 C ATOM 121 CD LYS A 373 11.451 -9.398 -7.110 1.00 0.00 C ATOM 122 CE LYS A 373 10.352 -9.440 -8.174 1.00 0.00 C ATOM 123 NZ LYS A 373 10.418 -10.815 -8.741 1.00 0.00 N ATOM 0 H LYS A 373 11.085 -7.049 -4.328 1.00 0.00 H new ATOM 0 HA LYS A 373 9.582 -9.629 -3.918 1.00 0.00 H new ATOM 0 HB2 LYS A 373 12.463 -9.114 -4.837 1.00 0.00 H new ATOM 0 HB3 LYS A 373 12.024 -10.606 -4.029 1.00 0.00 H new ATOM 0 HG2 LYS A 373 11.524 -11.339 -6.158 1.00 0.00 H new ATOM 0 HG3 LYS A 373 10.016 -10.481 -5.907 1.00 0.00 H new ATOM 0 HD2 LYS A 373 11.562 -8.383 -6.728 1.00 0.00 H new ATOM 0 HD3 LYS A 373 12.408 -9.680 -7.550 1.00 0.00 H new ATOM 0 HE2 LYS A 373 9.373 -9.239 -7.739 1.00 0.00 H new ATOM 0 HE3 LYS A 373 10.519 -8.687 -8.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 373 9.942 -10.832 -9.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 373 11.413 -11.095 -8.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 373 9.945 -11.480 -8.096 1.00 0.00 H new ATOM 137 N VAL A 374 10.101 -8.086 -1.693 1.00 0.00 N ATOM 138 CA VAL A 374 10.417 -7.857 -0.251 1.00 0.00 C ATOM 139 C VAL A 374 9.120 -7.662 0.555 1.00 0.00 C ATOM 140 O VAL A 374 8.097 -7.298 0.005 1.00 0.00 O ATOM 141 CB VAL A 374 11.260 -6.575 -0.225 1.00 0.00 C ATOM 142 CG1 VAL A 374 11.634 -6.229 1.219 1.00 0.00 C ATOM 143 CG2 VAL A 374 12.540 -6.781 -1.042 1.00 0.00 C ATOM 0 H VAL A 374 9.267 -7.609 -2.036 1.00 0.00 H new ATOM 0 HA VAL A 374 10.944 -8.702 0.193 1.00 0.00 H new ATOM 0 HB VAL A 374 10.679 -5.760 -0.656 1.00 0.00 H new ATOM 0 HG11 VAL A 374 12.232 -5.318 1.232 1.00 0.00 H new ATOM 0 HG12 VAL A 374 10.727 -6.075 1.803 1.00 0.00 H new ATOM 0 HG13 VAL A 374 12.210 -7.047 1.652 1.00 0.00 H new ATOM 0 HG21 VAL A 374 13.136 -5.868 -1.021 1.00 0.00 H new ATOM 0 HG22 VAL A 374 13.117 -7.601 -0.614 1.00 0.00 H new ATOM 0 HG23 VAL A 374 12.279 -7.020 -2.073 1.00 0.00 H new ATOM 153 N LYS A 375 9.157 -7.879 1.854 1.00 0.00 N ATOM 154 CA LYS A 375 7.913 -7.676 2.677 1.00 0.00 C ATOM 155 C LYS A 375 7.776 -6.183 3.026 1.00 0.00 C ATOM 156 O LYS A 375 8.160 -5.750 4.096 1.00 0.00 O ATOM 157 CB LYS A 375 8.068 -8.518 3.954 1.00 0.00 C ATOM 158 CG LYS A 375 7.334 -9.847 3.775 1.00 0.00 C ATOM 159 CD LYS A 375 8.231 -10.829 3.022 1.00 0.00 C ATOM 160 CE LYS A 375 7.412 -12.056 2.617 1.00 0.00 C ATOM 161 NZ LYS A 375 8.413 -13.044 2.127 1.00 0.00 N ATOM 0 H LYS A 375 9.980 -8.183 2.373 1.00 0.00 H new ATOM 0 HA LYS A 375 7.020 -7.982 2.133 1.00 0.00 H new ATOM 0 HB2 LYS A 375 9.123 -8.697 4.159 1.00 0.00 H new ATOM 0 HB3 LYS A 375 7.664 -7.978 4.810 1.00 0.00 H new ATOM 0 HG2 LYS A 375 7.063 -10.258 4.747 1.00 0.00 H new ATOM 0 HG3 LYS A 375 6.406 -9.691 3.225 1.00 0.00 H new ATOM 0 HD2 LYS A 375 8.651 -10.350 2.138 1.00 0.00 H new ATOM 0 HD3 LYS A 375 9.069 -11.129 3.651 1.00 0.00 H new ATOM 0 HE2 LYS A 375 6.849 -12.451 3.463 1.00 0.00 H new ATOM 0 HE3 LYS A 375 6.689 -11.809 1.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 375 7.926 -13.914 1.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 375 8.929 -12.643 1.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 375 9.084 -13.266 2.890 1.00 0.00 H new ATOM 175 N ARG A 376 7.224 -5.400 2.122 1.00 0.00 N ATOM 176 CA ARG A 376 7.057 -3.940 2.404 1.00 0.00 C ATOM 177 C ARG A 376 6.137 -3.743 3.605 1.00 0.00 C ATOM 178 O ARG A 376 5.265 -4.551 3.866 1.00 0.00 O ATOM 179 CB ARG A 376 6.461 -3.273 1.147 1.00 0.00 C ATOM 180 CG ARG A 376 7.520 -2.384 0.471 1.00 0.00 C ATOM 181 CD ARG A 376 8.038 -1.316 1.463 1.00 0.00 C ATOM 182 NE ARG A 376 8.830 -0.319 0.656 1.00 0.00 N ATOM 183 CZ ARG A 376 9.753 0.445 1.225 1.00 0.00 C ATOM 184 NH1 ARG A 376 10.006 0.377 2.512 1.00 0.00 N ATOM 185 NH2 ARG A 376 10.426 1.296 0.494 1.00 0.00 N ATOM 0 H ARG A 376 6.886 -5.709 1.211 1.00 0.00 H new ATOM 0 HA ARG A 376 8.019 -3.486 2.641 1.00 0.00 H new ATOM 0 HB2 ARG A 376 6.116 -4.036 0.449 1.00 0.00 H new ATOM 0 HB3 ARG A 376 5.592 -2.674 1.420 1.00 0.00 H new ATOM 0 HG2 ARG A 376 8.350 -2.998 0.121 1.00 0.00 H new ATOM 0 HG3 ARG A 376 7.091 -1.898 -0.405 1.00 0.00 H new ATOM 0 HD2 ARG A 376 7.208 -0.828 1.973 1.00 0.00 H new ATOM 0 HD3 ARG A 376 8.661 -1.773 2.232 1.00 0.00 H new ATOM 0 HE ARG A 376 8.653 -0.230 -0.345 1.00 0.00 H new ATOM 0 HH11 ARG A 376 9.487 -0.275 3.100 1.00 0.00 H new ATOM 0 HH12 ARG A 376 10.721 0.976 2.923 1.00 0.00 H new ATOM 0 HH21 ARG A 376 10.239 1.369 -0.506 1.00 0.00 H new ATOM 0 HH22 ARG A 376 11.137 1.887 0.924 1.00 0.00 H new ATOM 199 N THR A 377 6.315 -2.662 4.325 1.00 0.00 N ATOM 200 CA THR A 377 5.431 -2.403 5.503 1.00 0.00 C ATOM 201 C THR A 377 4.048 -2.057 4.948 1.00 0.00 C ATOM 202 O THR A 377 3.955 -1.336 3.975 1.00 0.00 O ATOM 203 CB THR A 377 6.087 -1.221 6.254 1.00 0.00 C ATOM 204 OG1 THR A 377 7.153 -1.716 7.053 1.00 0.00 O ATOM 205 CG2 THR A 377 5.081 -0.498 7.160 1.00 0.00 C ATOM 0 H THR A 377 7.028 -1.954 4.150 1.00 0.00 H new ATOM 0 HA THR A 377 5.316 -3.244 6.187 1.00 0.00 H new ATOM 0 HB THR A 377 6.453 -0.509 5.514 1.00 0.00 H new ATOM 0 HG1 THR A 377 7.576 -0.973 7.531 1.00 0.00 H new ATOM 0 HG21 THR A 377 5.579 0.326 7.671 1.00 0.00 H new ATOM 0 HG22 THR A 377 4.262 -0.109 6.556 1.00 0.00 H new ATOM 0 HG23 THR A 377 4.687 -1.197 7.898 1.00 0.00 H new ATOM 213 N SER A 378 2.971 -2.536 5.541 1.00 0.00 N ATOM 214 CA SER A 378 1.610 -2.184 4.984 1.00 0.00 C ATOM 215 C SER A 378 1.476 -0.660 4.914 1.00 0.00 C ATOM 216 O SER A 378 2.289 0.052 5.476 1.00 0.00 O ATOM 217 CB SER A 378 0.554 -2.764 5.927 1.00 0.00 C ATOM 218 OG SER A 378 -0.731 -2.659 5.317 1.00 0.00 O ATOM 0 H SER A 378 2.970 -3.139 6.364 1.00 0.00 H new ATOM 0 HA SER A 378 1.479 -2.593 3.982 1.00 0.00 H new ATOM 0 HB2 SER A 378 0.780 -3.807 6.148 1.00 0.00 H new ATOM 0 HB3 SER A 378 0.564 -2.228 6.876 1.00 0.00 H new ATOM 0 HG SER A 378 -1.061 -3.554 5.094 1.00 0.00 H new ATOM 224 N CYS A 379 0.465 -0.142 4.260 1.00 0.00 N ATOM 225 CA CYS A 379 0.310 1.351 4.204 1.00 0.00 C ATOM 226 C CYS A 379 -0.469 1.829 5.438 1.00 0.00 C ATOM 227 O CYS A 379 -1.224 1.076 6.024 1.00 0.00 O ATOM 228 CB CYS A 379 -0.482 1.639 2.921 1.00 0.00 C ATOM 229 SG CYS A 379 -0.689 3.418 2.696 1.00 0.00 S ATOM 0 H CYS A 379 -0.251 -0.676 3.768 1.00 0.00 H new ATOM 0 HA CYS A 379 1.270 1.867 4.199 1.00 0.00 H new ATOM 0 HB2 CYS A 379 0.038 1.215 2.062 1.00 0.00 H new ATOM 0 HB3 CYS A 379 -1.458 1.156 2.972 1.00 0.00 H new ATOM 234 N MET A 380 -0.293 3.070 5.845 1.00 0.00 N ATOM 235 CA MET A 380 -1.035 3.584 7.062 1.00 0.00 C ATOM 236 C MET A 380 -2.539 3.293 6.962 1.00 0.00 C ATOM 237 O MET A 380 -3.178 2.996 7.954 1.00 0.00 O ATOM 238 CB MET A 380 -0.801 5.099 7.096 1.00 0.00 C ATOM 239 CG MET A 380 0.687 5.372 7.355 1.00 0.00 C ATOM 240 SD MET A 380 1.383 6.419 6.044 1.00 0.00 S ATOM 241 CE MET A 380 0.135 7.728 6.088 1.00 0.00 C ATOM 0 H MET A 380 0.324 3.747 5.396 1.00 0.00 H new ATOM 0 HA MET A 380 -0.675 3.093 7.966 1.00 0.00 H new ATOM 0 HB2 MET A 380 -1.107 5.548 6.151 1.00 0.00 H new ATOM 0 HB3 MET A 380 -1.409 5.556 7.877 1.00 0.00 H new ATOM 0 HG2 MET A 380 0.810 5.861 8.322 1.00 0.00 H new ATOM 0 HG3 MET A 380 1.232 4.429 7.403 1.00 0.00 H new ATOM 0 HE1 MET A 380 0.605 8.686 5.865 1.00 0.00 H new ATOM 0 HE2 MET A 380 -0.636 7.520 5.346 1.00 0.00 H new ATOM 0 HE3 MET A 380 -0.316 7.767 7.079 1.00 0.00 H new ATOM 251 N TYR A 381 -3.106 3.356 5.776 1.00 0.00 N ATOM 252 CA TYR A 381 -4.558 3.058 5.636 1.00 0.00 C ATOM 253 C TYR A 381 -4.772 2.071 4.483 1.00 0.00 C ATOM 254 O TYR A 381 -5.728 2.199 3.749 1.00 0.00 O ATOM 255 CB TYR A 381 -5.246 4.380 5.277 1.00 0.00 C ATOM 256 CG TYR A 381 -4.828 5.520 6.180 1.00 0.00 C ATOM 257 CD1 TYR A 381 -3.653 6.261 5.882 1.00 0.00 C ATOM 258 CD2 TYR A 381 -5.646 5.894 7.280 1.00 0.00 C ATOM 259 CE1 TYR A 381 -3.294 7.372 6.686 1.00 0.00 C ATOM 260 CE2 TYR A 381 -5.286 7.010 8.083 1.00 0.00 C ATOM 261 CZ TYR A 381 -4.110 7.748 7.786 1.00 0.00 C ATOM 262 OH TYR A 381 -3.759 8.832 8.568 1.00 0.00 O ATOM 0 H TYR A 381 -2.625 3.599 4.910 1.00 0.00 H new ATOM 0 HA TYR A 381 -4.956 2.627 6.555 1.00 0.00 H new ATOM 0 HB2 TYR A 381 -5.014 4.637 4.243 1.00 0.00 H new ATOM 0 HB3 TYR A 381 -6.327 4.251 5.338 1.00 0.00 H new ATOM 0 HD1 TYR A 381 -3.034 5.978 5.044 1.00 0.00 H new ATOM 0 HD2 TYR A 381 -6.540 5.331 7.505 1.00 0.00 H new ATOM 0 HE1 TYR A 381 -2.399 7.933 6.462 1.00 0.00 H new ATOM 0 HE2 TYR A 381 -5.907 7.297 8.919 1.00 0.00 H new ATOM 0 HH TYR A 381 -4.406 9.556 8.434 1.00 0.00 H new ATOM 272 N GLY A 382 -3.880 1.115 4.284 1.00 0.00 N ATOM 273 CA GLY A 382 -4.015 0.141 3.140 1.00 0.00 C ATOM 274 C GLY A 382 -5.474 -0.275 2.854 1.00 0.00 C ATOM 275 O GLY A 382 -5.898 -0.273 1.713 1.00 0.00 O ATOM 0 H GLY A 382 -3.059 0.968 4.871 1.00 0.00 H new ATOM 0 HA2 GLY A 382 -3.590 0.588 2.241 1.00 0.00 H new ATOM 0 HA3 GLY A 382 -3.428 -0.750 3.361 1.00 0.00 H new ATOM 279 N ALA A 383 -6.247 -0.621 3.861 1.00 0.00 N ATOM 280 CA ALA A 383 -7.678 -1.025 3.585 1.00 0.00 C ATOM 281 C ALA A 383 -8.445 0.112 2.878 1.00 0.00 C ATOM 282 O ALA A 383 -9.394 -0.143 2.158 1.00 0.00 O ATOM 283 CB ALA A 383 -8.325 -1.333 4.942 1.00 0.00 C ATOM 0 H ALA A 383 -5.963 -0.643 4.841 1.00 0.00 H new ATOM 0 HA ALA A 383 -7.708 -1.893 2.927 1.00 0.00 H new ATOM 0 HB1 ALA A 383 -9.363 -1.630 4.791 1.00 0.00 H new ATOM 0 HB2 ALA A 383 -7.782 -2.144 5.428 1.00 0.00 H new ATOM 0 HB3 ALA A 383 -8.290 -0.444 5.572 1.00 0.00 H new ATOM 289 N ASN A 384 -8.054 1.359 3.070 1.00 0.00 N ATOM 290 CA ASN A 384 -8.781 2.484 2.399 1.00 0.00 C ATOM 291 C ASN A 384 -7.794 3.517 1.817 1.00 0.00 C ATOM 292 O ASN A 384 -8.145 4.667 1.679 1.00 0.00 O ATOM 293 CB ASN A 384 -9.619 3.150 3.498 1.00 0.00 C ATOM 294 CG ASN A 384 -10.456 2.104 4.252 1.00 0.00 C ATOM 295 OD1 ASN A 384 -11.634 1.956 3.994 1.00 0.00 O ATOM 296 ND2 ASN A 384 -9.895 1.366 5.180 1.00 0.00 N ATOM 0 H ASN A 384 -7.269 1.639 3.658 1.00 0.00 H new ATOM 0 HA ASN A 384 -9.388 2.114 1.573 1.00 0.00 H new ATOM 0 HB2 ASN A 384 -8.964 3.671 4.196 1.00 0.00 H new ATOM 0 HB3 ASN A 384 -10.276 3.900 3.057 1.00 0.00 H new ATOM 0 HD21 ASN A 384 -10.447 0.671 5.682 1.00 0.00 H new ATOM 0 HD22 ASN A 384 -8.906 1.487 5.400 1.00 0.00 H new ATOM 303 N CYS A 385 -6.564 3.138 1.500 1.00 0.00 N ATOM 304 CA CYS A 385 -5.566 4.144 0.950 1.00 0.00 C ATOM 305 C CYS A 385 -6.169 4.952 -0.223 1.00 0.00 C ATOM 306 O CYS A 385 -6.046 4.566 -1.369 1.00 0.00 O ATOM 307 CB CYS A 385 -4.369 3.315 0.450 1.00 0.00 C ATOM 308 SG CYS A 385 -3.003 4.415 -0.004 1.00 0.00 S ATOM 0 H CYS A 385 -6.209 2.187 1.596 1.00 0.00 H new ATOM 0 HA CYS A 385 -5.280 4.864 1.716 1.00 0.00 H new ATOM 0 HB2 CYS A 385 -4.046 2.622 1.227 1.00 0.00 H new ATOM 0 HB3 CYS A 385 -4.665 2.715 -0.410 1.00 0.00 H new ATOM 313 N TYR A 386 -6.840 6.056 0.056 1.00 0.00 N ATOM 314 CA TYR A 386 -7.471 6.862 -1.051 1.00 0.00 C ATOM 315 C TYR A 386 -6.407 7.369 -2.047 1.00 0.00 C ATOM 316 O TYR A 386 -6.650 7.410 -3.239 1.00 0.00 O ATOM 317 CB TYR A 386 -8.212 8.050 -0.371 1.00 0.00 C ATOM 318 CG TYR A 386 -7.228 9.092 0.134 1.00 0.00 C ATOM 319 CD1 TYR A 386 -6.709 10.059 -0.766 1.00 0.00 C ATOM 320 CD2 TYR A 386 -6.815 9.097 1.496 1.00 0.00 C ATOM 321 CE1 TYR A 386 -5.783 11.030 -0.311 1.00 0.00 C ATOM 322 CE2 TYR A 386 -5.880 10.071 1.958 1.00 0.00 C ATOM 323 CZ TYR A 386 -5.367 11.038 1.047 1.00 0.00 C ATOM 324 OH TYR A 386 -4.466 11.985 1.474 1.00 0.00 O ATOM 0 H TYR A 386 -6.977 6.430 0.995 1.00 0.00 H new ATOM 0 HA TYR A 386 -8.165 6.250 -1.628 1.00 0.00 H new ATOM 0 HB2 TYR A 386 -8.899 8.509 -1.082 1.00 0.00 H new ATOM 0 HB3 TYR A 386 -8.813 7.680 0.460 1.00 0.00 H new ATOM 0 HD1 TYR A 386 -7.021 10.055 -1.800 1.00 0.00 H new ATOM 0 HD2 TYR A 386 -7.210 8.362 2.181 1.00 0.00 H new ATOM 0 HE1 TYR A 386 -5.393 11.766 -0.998 1.00 0.00 H new ATOM 0 HE2 TYR A 386 -5.564 10.075 2.991 1.00 0.00 H new ATOM 0 HH TYR A 386 -4.902 12.586 2.114 1.00 0.00 H new ATOM 334 N ARG A 387 -5.241 7.768 -1.573 1.00 0.00 N ATOM 335 CA ARG A 387 -4.192 8.283 -2.526 1.00 0.00 C ATOM 336 C ARG A 387 -3.835 7.201 -3.559 1.00 0.00 C ATOM 337 O ARG A 387 -3.915 6.021 -3.274 1.00 0.00 O ATOM 338 CB ARG A 387 -2.962 8.679 -1.684 1.00 0.00 C ATOM 339 CG ARG A 387 -2.360 7.451 -0.991 1.00 0.00 C ATOM 340 CD ARG A 387 -1.064 7.855 -0.270 1.00 0.00 C ATOM 341 NE ARG A 387 -0.009 8.014 -1.337 1.00 0.00 N ATOM 342 CZ ARG A 387 1.040 8.805 -1.149 1.00 0.00 C ATOM 343 NH1 ARG A 387 1.230 9.442 -0.016 1.00 0.00 N ATOM 344 NH2 ARG A 387 1.924 8.943 -2.104 1.00 0.00 N ATOM 0 H ARG A 387 -4.974 7.760 -0.589 1.00 0.00 H new ATOM 0 HA ARG A 387 -4.558 9.147 -3.081 1.00 0.00 H new ATOM 0 HB2 ARG A 387 -2.213 9.145 -2.323 1.00 0.00 H new ATOM 0 HB3 ARG A 387 -3.249 9.419 -0.937 1.00 0.00 H new ATOM 0 HG2 ARG A 387 -3.072 7.037 -0.277 1.00 0.00 H new ATOM 0 HG3 ARG A 387 -2.153 6.671 -1.724 1.00 0.00 H new ATOM 0 HD2 ARG A 387 -1.201 8.785 0.281 1.00 0.00 H new ATOM 0 HD3 ARG A 387 -0.771 7.095 0.455 1.00 0.00 H new ATOM 0 HE ARG A 387 -0.103 7.506 -2.216 1.00 0.00 H new ATOM 0 HH11 ARG A 387 0.562 9.335 0.747 1.00 0.00 H new ATOM 0 HH12 ARG A 387 2.046 10.044 0.100 1.00 0.00 H new ATOM 0 HH21 ARG A 387 1.804 8.444 -2.986 1.00 0.00 H new ATOM 0 HH22 ARG A 387 2.733 9.549 -1.967 1.00 0.00 H new ATOM 358 N LYS A 388 -3.456 7.592 -4.760 1.00 0.00 N ATOM 359 CA LYS A 388 -3.115 6.577 -5.804 1.00 0.00 C ATOM 360 C LYS A 388 -1.818 6.958 -6.538 1.00 0.00 C ATOM 361 O LYS A 388 -1.851 7.412 -7.667 1.00 0.00 O ATOM 362 CB LYS A 388 -4.304 6.584 -6.773 1.00 0.00 C ATOM 363 CG LYS A 388 -4.506 7.994 -7.355 1.00 0.00 C ATOM 364 CD LYS A 388 -4.640 7.913 -8.878 1.00 0.00 C ATOM 365 CE LYS A 388 -5.980 7.267 -9.238 1.00 0.00 C ATOM 366 NZ LYS A 388 -6.429 7.978 -10.467 1.00 0.00 N ATOM 0 H LYS A 388 -3.370 8.564 -5.055 1.00 0.00 H new ATOM 0 HA LYS A 388 -2.946 5.592 -5.369 1.00 0.00 H new ATOM 0 HB2 LYS A 388 -4.130 5.871 -7.579 1.00 0.00 H new ATOM 0 HB3 LYS A 388 -5.207 6.264 -6.254 1.00 0.00 H new ATOM 0 HG2 LYS A 388 -5.398 8.450 -6.926 1.00 0.00 H new ATOM 0 HG3 LYS A 388 -3.663 8.631 -7.088 1.00 0.00 H new ATOM 0 HD2 LYS A 388 -4.576 8.910 -9.313 1.00 0.00 H new ATOM 0 HD3 LYS A 388 -3.819 7.330 -9.296 1.00 0.00 H new ATOM 0 HE2 LYS A 388 -5.868 6.198 -9.419 1.00 0.00 H new ATOM 0 HE3 LYS A 388 -6.703 7.379 -8.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 -7.343 7.591 -10.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 -6.533 8.992 -10.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 -5.724 7.847 -11.221 1.00 0.00 H new ATOM 380 N ASN A 389 -0.674 6.762 -5.918 1.00 0.00 N ATOM 381 CA ASN A 389 0.614 7.099 -6.599 1.00 0.00 C ATOM 382 C ASN A 389 1.411 5.810 -6.843 1.00 0.00 C ATOM 383 O ASN A 389 1.257 4.854 -6.107 1.00 0.00 O ATOM 384 CB ASN A 389 1.360 8.021 -5.626 1.00 0.00 C ATOM 385 CG ASN A 389 1.407 9.449 -6.190 1.00 0.00 C ATOM 386 OD1 ASN A 389 0.409 9.957 -6.663 1.00 0.00 O ATOM 387 ND2 ASN A 389 2.529 10.126 -6.162 1.00 0.00 N ATOM 0 H ASN A 389 -0.580 6.385 -4.975 1.00 0.00 H new ATOM 0 HA ASN A 389 0.464 7.581 -7.565 1.00 0.00 H new ATOM 0 HB2 ASN A 389 0.862 8.020 -4.656 1.00 0.00 H new ATOM 0 HB3 ASN A 389 2.373 7.651 -5.465 1.00 0.00 H new ATOM 0 HD21 ASN A 389 2.562 11.074 -6.536 1.00 0.00 H new ATOM 0 HD22 ASN A 389 3.369 9.704 -5.766 1.00 0.00 H new ATOM 394 N PRO A 390 2.243 5.813 -7.862 1.00 0.00 N ATOM 395 CA PRO A 390 3.051 4.610 -8.161 1.00 0.00 C ATOM 396 C PRO A 390 4.154 4.429 -7.093 1.00 0.00 C ATOM 397 O PRO A 390 4.031 3.569 -6.250 1.00 0.00 O ATOM 398 CB PRO A 390 3.587 4.870 -9.571 1.00 0.00 C ATOM 399 CG PRO A 390 3.548 6.357 -9.757 1.00 0.00 C ATOM 400 CD PRO A 390 2.512 6.911 -8.807 1.00 0.00 C ATOM 0 HA PRO A 390 2.492 3.675 -8.130 1.00 0.00 H new ATOM 0 HB2 PRO A 390 4.603 4.489 -9.679 1.00 0.00 H new ATOM 0 HB3 PRO A 390 2.976 4.366 -10.320 1.00 0.00 H new ATOM 0 HG2 PRO A 390 4.526 6.794 -9.554 1.00 0.00 H new ATOM 0 HG3 PRO A 390 3.295 6.607 -10.787 1.00 0.00 H new ATOM 0 HD2 PRO A 390 2.883 7.796 -8.290 1.00 0.00 H new ATOM 0 HD3 PRO A 390 1.607 7.207 -9.337 1.00 0.00 H new ATOM 408 N VAL A 391 5.234 5.199 -7.128 1.00 0.00 N ATOM 409 CA VAL A 391 6.348 5.040 -6.100 1.00 0.00 C ATOM 410 C VAL A 391 5.809 4.744 -4.677 1.00 0.00 C ATOM 411 O VAL A 391 6.422 4.016 -3.919 1.00 0.00 O ATOM 412 CB VAL A 391 7.116 6.371 -6.104 1.00 0.00 C ATOM 413 CG1 VAL A 391 6.238 7.505 -5.561 1.00 0.00 C ATOM 414 CG2 VAL A 391 8.371 6.236 -5.237 1.00 0.00 C ATOM 0 H VAL A 391 5.395 5.930 -7.821 1.00 0.00 H new ATOM 0 HA VAL A 391 6.979 4.191 -6.362 1.00 0.00 H new ATOM 0 HB VAL A 391 7.397 6.610 -7.130 1.00 0.00 H new ATOM 0 HG11 VAL A 391 6.801 8.438 -5.572 1.00 0.00 H new ATOM 0 HG12 VAL A 391 5.351 7.609 -6.185 1.00 0.00 H new ATOM 0 HG13 VAL A 391 5.938 7.275 -4.539 1.00 0.00 H new ATOM 0 HG21 VAL A 391 8.917 7.179 -5.238 1.00 0.00 H new ATOM 0 HG22 VAL A 391 8.083 5.985 -4.216 1.00 0.00 H new ATOM 0 HG23 VAL A 391 9.007 5.447 -5.638 1.00 0.00 H new ATOM 424 N HIS A 392 4.661 5.280 -4.324 1.00 0.00 N ATOM 425 CA HIS A 392 4.074 4.996 -2.961 1.00 0.00 C ATOM 426 C HIS A 392 3.711 3.496 -2.856 1.00 0.00 C ATOM 427 O HIS A 392 3.915 2.878 -1.828 1.00 0.00 O ATOM 428 CB HIS A 392 2.812 5.882 -2.864 1.00 0.00 C ATOM 429 CG HIS A 392 1.967 5.486 -1.684 1.00 0.00 C ATOM 430 ND1 HIS A 392 2.077 6.105 -0.450 1.00 0.00 N ATOM 431 CD2 HIS A 392 0.986 4.539 -1.546 1.00 0.00 C ATOM 432 CE1 HIS A 392 1.181 5.530 0.371 1.00 0.00 C ATOM 433 NE2 HIS A 392 0.489 4.569 -0.249 1.00 0.00 N ATOM 0 H HIS A 392 4.104 5.899 -4.914 1.00 0.00 H new ATOM 0 HA HIS A 392 4.770 5.215 -2.151 1.00 0.00 H new ATOM 0 HB2 HIS A 392 3.104 6.928 -2.773 1.00 0.00 H new ATOM 0 HB3 HIS A 392 2.229 5.792 -3.780 1.00 0.00 H new ATOM 0 HD1 HIS A 392 2.720 6.859 -0.208 1.00 0.00 H new ATOM 0 HD2 HIS A 392 0.651 3.872 -2.326 1.00 0.00 H new ATOM 0 HE1 HIS A 392 1.038 5.810 1.404 1.00 0.00 H new ATOM 441 N PHE A 393 3.212 2.897 -3.926 1.00 0.00 N ATOM 442 CA PHE A 393 2.892 1.424 -3.873 1.00 0.00 C ATOM 443 C PHE A 393 4.175 0.648 -3.536 1.00 0.00 C ATOM 444 O PHE A 393 4.135 -0.357 -2.851 1.00 0.00 O ATOM 445 CB PHE A 393 2.379 1.015 -5.262 1.00 0.00 C ATOM 446 CG PHE A 393 0.872 1.012 -5.259 1.00 0.00 C ATOM 447 CD1 PHE A 393 0.164 0.029 -4.514 1.00 0.00 C ATOM 448 CD2 PHE A 393 0.160 1.992 -5.997 1.00 0.00 C ATOM 449 CE1 PHE A 393 -1.257 0.030 -4.509 1.00 0.00 C ATOM 450 CE2 PHE A 393 -1.259 1.994 -5.992 1.00 0.00 C ATOM 451 CZ PHE A 393 -1.969 1.013 -5.248 1.00 0.00 C ATOM 0 H PHE A 393 3.016 3.356 -4.816 1.00 0.00 H new ATOM 0 HA PHE A 393 2.140 1.207 -3.114 1.00 0.00 H new ATOM 0 HB2 PHE A 393 2.751 1.707 -6.017 1.00 0.00 H new ATOM 0 HB3 PHE A 393 2.755 0.026 -5.524 1.00 0.00 H new ATOM 0 HD1 PHE A 393 0.706 -0.718 -3.953 1.00 0.00 H new ATOM 0 HD2 PHE A 393 0.698 2.737 -6.563 1.00 0.00 H new ATOM 0 HE1 PHE A 393 -1.796 -0.716 -3.944 1.00 0.00 H new ATOM 0 HE2 PHE A 393 -1.800 2.741 -6.554 1.00 0.00 H new ATOM 0 HZ PHE A 393 -3.049 1.015 -5.244 1.00 0.00 H new ATOM 461 N GLN A 394 5.319 1.115 -4.005 1.00 0.00 N ATOM 462 CA GLN A 394 6.597 0.393 -3.689 1.00 0.00 C ATOM 463 C GLN A 394 7.045 0.708 -2.250 1.00 0.00 C ATOM 464 O GLN A 394 7.663 -0.117 -1.614 1.00 0.00 O ATOM 465 CB GLN A 394 7.649 0.890 -4.695 1.00 0.00 C ATOM 466 CG GLN A 394 7.337 0.326 -6.085 1.00 0.00 C ATOM 467 CD GLN A 394 6.502 1.343 -6.874 1.00 0.00 C ATOM 468 OE1 GLN A 394 7.043 2.269 -7.443 1.00 0.00 O ATOM 469 NE2 GLN A 394 5.200 1.212 -6.937 1.00 0.00 N ATOM 0 H GLN A 394 5.419 1.950 -4.582 1.00 0.00 H new ATOM 0 HA GLN A 394 6.465 -0.686 -3.764 1.00 0.00 H new ATOM 0 HB2 GLN A 394 7.651 1.980 -4.726 1.00 0.00 H new ATOM 0 HB3 GLN A 394 8.645 0.578 -4.380 1.00 0.00 H new ATOM 0 HG2 GLN A 394 8.263 0.109 -6.617 1.00 0.00 H new ATOM 0 HG3 GLN A 394 6.793 -0.614 -5.994 1.00 0.00 H new ATOM 0 HE21 GLN A 394 4.742 0.435 -6.460 1.00 0.00 H new ATOM 0 HE22 GLN A 394 4.644 1.887 -7.463 1.00 0.00 H new ATOM 478 N HIS A 395 6.749 1.890 -1.731 1.00 0.00 N ATOM 479 CA HIS A 395 7.186 2.221 -0.323 1.00 0.00 C ATOM 480 C HIS A 395 6.275 1.563 0.733 1.00 0.00 C ATOM 481 O HIS A 395 6.704 1.337 1.850 1.00 0.00 O ATOM 482 CB HIS A 395 7.109 3.748 -0.189 1.00 0.00 C ATOM 483 CG HIS A 395 8.156 4.383 -1.057 1.00 0.00 C ATOM 484 ND1 HIS A 395 8.724 5.607 -0.748 1.00 0.00 N ATOM 485 CD2 HIS A 395 8.748 3.978 -2.228 1.00 0.00 C ATOM 486 CE1 HIS A 395 9.614 5.896 -1.714 1.00 0.00 C ATOM 487 NE2 HIS A 395 9.668 4.935 -2.640 1.00 0.00 N ATOM 0 H HIS A 395 6.233 2.627 -2.212 1.00 0.00 H new ATOM 0 HA HIS A 395 8.194 1.843 -0.150 1.00 0.00 H new ATOM 0 HB2 HIS A 395 6.119 4.099 -0.480 1.00 0.00 H new ATOM 0 HB3 HIS A 395 7.258 4.040 0.851 1.00 0.00 H new ATOM 0 HD2 HIS A 395 8.532 3.057 -2.749 1.00 0.00 H new ATOM 0 HE1 HIS A 395 10.212 6.795 -1.738 1.00 0.00 H new ATOM 0 HE2 HIS A 395 10.258 4.909 -3.472 1.00 0.00 H new ATOM 496 N PHE A 396 5.028 1.265 0.417 1.00 0.00 N ATOM 497 CA PHE A 396 4.131 0.637 1.442 1.00 0.00 C ATOM 498 C PHE A 396 3.330 -0.521 0.822 1.00 0.00 C ATOM 499 O PHE A 396 2.975 -0.481 -0.341 1.00 0.00 O ATOM 500 CB PHE A 396 3.177 1.759 1.884 1.00 0.00 C ATOM 501 CG PHE A 396 3.960 2.942 2.413 1.00 0.00 C ATOM 502 CD1 PHE A 396 4.449 3.928 1.514 1.00 0.00 C ATOM 503 CD2 PHE A 396 4.197 3.073 3.808 1.00 0.00 C ATOM 504 CE1 PHE A 396 5.178 5.044 2.010 1.00 0.00 C ATOM 505 CE2 PHE A 396 4.924 4.189 4.304 1.00 0.00 C ATOM 506 CZ PHE A 396 5.414 5.174 3.405 1.00 0.00 C ATOM 0 H PHE A 396 4.601 1.429 -0.495 1.00 0.00 H new ATOM 0 HA PHE A 396 4.698 0.224 2.276 1.00 0.00 H new ATOM 0 HB2 PHE A 396 2.559 2.071 1.042 1.00 0.00 H new ATOM 0 HB3 PHE A 396 2.502 1.388 2.655 1.00 0.00 H new ATOM 0 HD1 PHE A 396 4.267 3.830 0.454 1.00 0.00 H new ATOM 0 HD2 PHE A 396 3.825 2.324 4.492 1.00 0.00 H new ATOM 0 HE1 PHE A 396 5.552 5.792 1.327 1.00 0.00 H new ATOM 0 HE2 PHE A 396 5.104 4.288 5.364 1.00 0.00 H new ATOM 0 HZ PHE A 396 5.966 6.022 3.782 1.00 0.00 H new ATOM 516 N SER A 397 3.038 -1.550 1.594 1.00 0.00 N ATOM 517 CA SER A 397 2.255 -2.703 1.055 1.00 0.00 C ATOM 518 C SER A 397 0.759 -2.448 1.248 1.00 0.00 C ATOM 519 O SER A 397 0.365 -1.617 2.047 1.00 0.00 O ATOM 520 CB SER A 397 2.693 -3.948 1.850 1.00 0.00 C ATOM 521 OG SER A 397 4.025 -4.289 1.492 1.00 0.00 O ATOM 0 H SER A 397 3.311 -1.635 2.573 1.00 0.00 H new ATOM 0 HA SER A 397 2.435 -2.841 -0.011 1.00 0.00 H new ATOM 0 HB2 SER A 397 2.631 -3.751 2.920 1.00 0.00 H new ATOM 0 HB3 SER A 397 2.023 -4.782 1.640 1.00 0.00 H new ATOM 0 HG SER A 397 4.446 -4.780 2.228 1.00 0.00 H new ATOM 527 N HIS A 398 -0.075 -3.143 0.511 1.00 0.00 N ATOM 528 CA HIS A 398 -1.537 -2.922 0.644 1.00 0.00 C ATOM 529 C HIS A 398 -2.270 -4.263 0.664 1.00 0.00 C ATOM 530 O HIS A 398 -1.762 -5.243 0.154 1.00 0.00 O ATOM 531 CB HIS A 398 -1.932 -2.109 -0.595 1.00 0.00 C ATOM 532 CG HIS A 398 -1.316 -0.733 -0.533 1.00 0.00 C ATOM 533 ND1 HIS A 398 -0.088 -0.442 -1.110 1.00 0.00 N ATOM 534 CD2 HIS A 398 -1.753 0.443 0.026 1.00 0.00 C ATOM 535 CE1 HIS A 398 0.169 0.862 -0.884 1.00 0.00 C ATOM 536 NE2 HIS A 398 -0.815 1.448 -0.195 1.00 0.00 N ATOM 0 H HIS A 398 0.199 -3.849 -0.172 1.00 0.00 H new ATOM 0 HA HIS A 398 -1.796 -2.404 1.567 1.00 0.00 H new ATOM 0 HB2 HIS A 398 -1.601 -2.623 -1.497 1.00 0.00 H new ATOM 0 HB3 HIS A 398 -3.017 -2.027 -0.655 1.00 0.00 H new ATOM 0 HD1 HIS A 398 0.511 -1.096 -1.614 1.00 0.00 H new ATOM 0 HD2 HIS A 398 -2.685 0.569 0.557 1.00 0.00 H new ATOM 0 HE1 HIS A 398 1.061 1.371 -1.219 1.00 0.00 H new ATOM 544 N PRO A 399 -3.456 -4.279 1.240 1.00 0.00 N ATOM 545 CA PRO A 399 -4.241 -5.535 1.286 1.00 0.00 C ATOM 546 C PRO A 399 -4.557 -5.959 -0.155 1.00 0.00 C ATOM 547 O PRO A 399 -4.866 -5.126 -0.989 1.00 0.00 O ATOM 548 CB PRO A 399 -5.490 -5.150 2.089 1.00 0.00 C ATOM 549 CG PRO A 399 -5.597 -3.669 1.936 1.00 0.00 C ATOM 550 CD PRO A 399 -4.181 -3.161 1.866 1.00 0.00 C ATOM 0 HA PRO A 399 -3.735 -6.384 1.747 1.00 0.00 H new ATOM 0 HB2 PRO A 399 -6.378 -5.653 1.706 1.00 0.00 H new ATOM 0 HB3 PRO A 399 -5.390 -5.434 3.137 1.00 0.00 H new ATOM 0 HG2 PRO A 399 -6.151 -3.408 1.034 1.00 0.00 H new ATOM 0 HG3 PRO A 399 -6.130 -3.226 2.777 1.00 0.00 H new ATOM 0 HD2 PRO A 399 -4.108 -2.250 1.272 1.00 0.00 H new ATOM 0 HD3 PRO A 399 -3.787 -2.928 2.855 1.00 0.00 H new ATOM 558 N GLY A 400 -4.451 -7.231 -0.472 1.00 0.00 N ATOM 559 CA GLY A 400 -4.714 -7.662 -1.876 1.00 0.00 C ATOM 560 C GLY A 400 -3.387 -7.828 -2.653 1.00 0.00 C ATOM 561 O GLY A 400 -3.403 -8.193 -3.816 1.00 0.00 O ATOM 0 H GLY A 400 -4.197 -7.977 0.175 1.00 0.00 H new ATOM 0 HA2 GLY A 400 -5.262 -8.604 -1.876 1.00 0.00 H new ATOM 0 HA3 GLY A 400 -5.345 -6.927 -2.376 1.00 0.00 H new ATOM 565 N ASP A 401 -2.231 -7.590 -2.037 1.00 0.00 N ATOM 566 CA ASP A 401 -0.950 -7.773 -2.763 1.00 0.00 C ATOM 567 C ASP A 401 -0.214 -8.968 -2.159 1.00 0.00 C ATOM 568 O ASP A 401 -0.679 -9.558 -1.202 1.00 0.00 O ATOM 569 CB ASP A 401 -0.156 -6.483 -2.553 1.00 0.00 C ATOM 570 CG ASP A 401 0.674 -6.205 -3.806 1.00 0.00 C ATOM 571 OD1 ASP A 401 0.125 -6.308 -4.892 1.00 0.00 O ATOM 572 OD2 ASP A 401 1.847 -5.903 -3.662 1.00 0.00 O ATOM 0 H ASP A 401 -2.141 -7.280 -1.070 1.00 0.00 H new ATOM 0 HA ASP A 401 -1.093 -7.965 -3.826 1.00 0.00 H new ATOM 0 HB2 ASP A 401 -0.833 -5.651 -2.356 1.00 0.00 H new ATOM 0 HB3 ASP A 401 0.494 -6.577 -1.683 1.00 0.00 H new ATOM 577 N SER A 402 0.925 -9.330 -2.694 1.00 0.00 N ATOM 578 CA SER A 402 1.667 -10.495 -2.110 1.00 0.00 C ATOM 579 C SER A 402 2.467 -10.070 -0.870 1.00 0.00 C ATOM 580 O SER A 402 2.786 -10.900 -0.038 1.00 0.00 O ATOM 581 CB SER A 402 2.620 -11.014 -3.198 1.00 0.00 C ATOM 582 OG SER A 402 1.997 -12.084 -3.898 1.00 0.00 O ATOM 0 H SER A 402 1.369 -8.881 -3.495 1.00 0.00 H new ATOM 0 HA SER A 402 0.967 -11.270 -1.796 1.00 0.00 H new ATOM 0 HB2 SER A 402 2.873 -10.210 -3.890 1.00 0.00 H new ATOM 0 HB3 SER A 402 3.553 -11.353 -2.748 1.00 0.00 H new ATOM 0 HG SER A 402 2.602 -12.416 -4.594 1.00 0.00 H new ATOM 588 N ASP A 403 2.850 -8.810 -0.746 1.00 0.00 N ATOM 589 CA ASP A 403 3.689 -8.404 0.437 1.00 0.00 C ATOM 590 C ASP A 403 2.891 -7.787 1.605 1.00 0.00 C ATOM 591 O ASP A 403 3.502 -7.342 2.556 1.00 0.00 O ATOM 592 CB ASP A 403 4.668 -7.357 -0.108 1.00 0.00 C ATOM 593 CG ASP A 403 5.549 -7.981 -1.192 1.00 0.00 C ATOM 594 OD1 ASP A 403 6.138 -9.015 -0.925 1.00 0.00 O ATOM 595 OD2 ASP A 403 5.617 -7.414 -2.270 1.00 0.00 O ATOM 0 H ASP A 403 2.622 -8.061 -1.400 1.00 0.00 H new ATOM 0 HA ASP A 403 4.164 -9.291 0.856 1.00 0.00 H new ATOM 0 HB2 ASP A 403 4.117 -6.510 -0.518 1.00 0.00 H new ATOM 0 HB3 ASP A 403 5.289 -6.972 0.701 1.00 0.00 H new ATOM 600 N TYR A 404 1.561 -7.732 1.565 1.00 0.00 N ATOM 601 CA TYR A 404 0.780 -7.114 2.727 1.00 0.00 C ATOM 602 C TYR A 404 1.394 -7.516 4.078 1.00 0.00 C ATOM 603 O TYR A 404 1.520 -8.689 4.382 1.00 0.00 O ATOM 604 CB TYR A 404 -0.649 -7.667 2.609 1.00 0.00 C ATOM 605 CG TYR A 404 -1.629 -6.830 3.408 1.00 0.00 C ATOM 606 CD1 TYR A 404 -1.548 -5.405 3.416 1.00 0.00 C ATOM 607 CD2 TYR A 404 -2.649 -7.484 4.148 1.00 0.00 C ATOM 608 CE1 TYR A 404 -2.488 -4.647 4.166 1.00 0.00 C ATOM 609 CE2 TYR A 404 -3.585 -6.725 4.894 1.00 0.00 C ATOM 610 CZ TYR A 404 -3.506 -5.308 4.904 1.00 0.00 C ATOM 611 OH TYR A 404 -4.416 -4.571 5.632 1.00 0.00 O ATOM 0 H TYR A 404 0.989 -8.080 0.796 1.00 0.00 H new ATOM 0 HA TYR A 404 0.801 -6.025 2.682 1.00 0.00 H new ATOM 0 HB2 TYR A 404 -0.950 -7.683 1.562 1.00 0.00 H new ATOM 0 HB3 TYR A 404 -0.673 -8.697 2.964 1.00 0.00 H new ATOM 0 HD1 TYR A 404 -0.774 -4.904 2.853 1.00 0.00 H new ATOM 0 HD2 TYR A 404 -2.712 -8.562 4.142 1.00 0.00 H new ATOM 0 HE1 TYR A 404 -2.428 -3.569 4.175 1.00 0.00 H new ATOM 0 HE2 TYR A 404 -4.360 -7.226 5.456 1.00 0.00 H new ATOM 0 HH TYR A 404 -4.075 -4.435 6.541 1.00 0.00 H new ATOM 621 N GLY A 405 1.805 -6.550 4.874 1.00 0.00 N ATOM 622 CA GLY A 405 2.442 -6.898 6.181 1.00 0.00 C ATOM 623 C GLY A 405 2.589 -5.656 7.070 1.00 0.00 C ATOM 624 O GLY A 405 3.659 -5.084 7.163 1.00 0.00 O ATOM 0 H GLY A 405 1.727 -5.553 4.675 1.00 0.00 H new ATOM 0 HA2 GLY A 405 1.840 -7.648 6.695 1.00 0.00 H new ATOM 0 HA3 GLY A 405 3.422 -7.342 6.005 1.00 0.00 H new ATOM 628 N GLY A 406 1.531 -5.248 7.734 1.00 0.00 N ATOM 629 CA GLY A 406 1.644 -4.051 8.629 1.00 0.00 C ATOM 630 C GLY A 406 0.388 -3.832 9.480 1.00 0.00 C ATOM 631 O GLY A 406 0.481 -3.729 10.690 1.00 0.00 O ATOM 0 H GLY A 406 0.610 -5.684 7.696 1.00 0.00 H new ATOM 0 HA2 GLY A 406 2.506 -4.172 9.285 1.00 0.00 H new ATOM 0 HA3 GLY A 406 1.827 -3.164 8.022 1.00 0.00 H new ATOM 635 N VAL A 407 -0.778 -3.726 8.879 1.00 0.00 N ATOM 636 CA VAL A 407 -2.004 -3.476 9.693 1.00 0.00 C ATOM 637 C VAL A 407 -3.186 -4.314 9.182 1.00 0.00 C ATOM 638 O VAL A 407 -3.925 -3.894 8.313 1.00 0.00 O ATOM 639 CB VAL A 407 -2.278 -1.970 9.550 1.00 0.00 C ATOM 640 CG1 VAL A 407 -2.470 -1.592 8.071 1.00 0.00 C ATOM 641 CG2 VAL A 407 -3.534 -1.604 10.351 1.00 0.00 C ATOM 0 H VAL A 407 -0.928 -3.801 7.873 1.00 0.00 H new ATOM 0 HA VAL A 407 -1.868 -3.762 10.736 1.00 0.00 H new ATOM 0 HB VAL A 407 -1.422 -1.416 9.937 1.00 0.00 H new ATOM 0 HG11 VAL A 407 -2.663 -0.522 7.991 1.00 0.00 H new ATOM 0 HG12 VAL A 407 -1.568 -1.841 7.512 1.00 0.00 H new ATOM 0 HG13 VAL A 407 -3.315 -2.145 7.661 1.00 0.00 H new ATOM 0 HG21 VAL A 407 -3.731 -0.537 10.251 1.00 0.00 H new ATOM 0 HG22 VAL A 407 -4.386 -2.167 9.970 1.00 0.00 H new ATOM 0 HG23 VAL A 407 -3.379 -1.848 11.402 1.00 0.00 H new ATOM 651 N GLN A 408 -3.381 -5.494 9.730 1.00 0.00 N ATOM 652 CA GLN A 408 -4.529 -6.342 9.283 1.00 0.00 C ATOM 653 C GLN A 408 -4.986 -7.277 10.415 1.00 0.00 C ATOM 654 O GLN A 408 -4.603 -8.429 10.473 1.00 0.00 O ATOM 655 CB GLN A 408 -4.010 -7.126 8.075 1.00 0.00 C ATOM 656 CG GLN A 408 -2.796 -7.978 8.459 1.00 0.00 C ATOM 657 CD GLN A 408 -1.847 -8.083 7.256 1.00 0.00 C ATOM 658 OE1 GLN A 408 -1.582 -9.168 6.779 1.00 0.00 O ATOM 659 NE2 GLN A 408 -1.319 -6.998 6.732 1.00 0.00 N ATOM 0 H GLN A 408 -2.798 -5.901 10.461 1.00 0.00 H new ATOM 0 HA GLN A 408 -5.402 -5.745 9.018 1.00 0.00 H new ATOM 0 HB2 GLN A 408 -4.801 -7.767 7.685 1.00 0.00 H new ATOM 0 HB3 GLN A 408 -3.737 -6.435 7.277 1.00 0.00 H new ATOM 0 HG2 GLN A 408 -2.278 -7.531 9.307 1.00 0.00 H new ATOM 0 HG3 GLN A 408 -3.119 -8.972 8.770 1.00 0.00 H new ATOM 0 HE21 GLN A 408 -1.537 -6.083 7.127 1.00 0.00 H new ATOM 0 HE22 GLN A 408 -0.692 -7.072 5.931 1.00 0.00 H new ATOM 668 N ILE A 409 -5.810 -6.780 11.317 1.00 0.00 N ATOM 669 CA ILE A 409 -6.299 -7.632 12.445 1.00 0.00 C ATOM 670 C ILE A 409 -7.795 -7.932 12.260 1.00 0.00 C ATOM 671 O ILE A 409 -8.633 -7.359 12.932 1.00 0.00 O ATOM 672 CB ILE A 409 -6.061 -6.795 13.710 1.00 0.00 C ATOM 673 CG1 ILE A 409 -4.560 -6.533 13.866 1.00 0.00 C ATOM 674 CG2 ILE A 409 -6.585 -7.541 14.944 1.00 0.00 C ATOM 675 CD1 ILE A 409 -4.347 -5.233 14.643 1.00 0.00 C ATOM 0 H ILE A 409 -6.161 -5.822 11.316 1.00 0.00 H new ATOM 0 HA ILE A 409 -5.786 -8.592 12.498 1.00 0.00 H new ATOM 0 HB ILE A 409 -6.593 -5.848 13.619 1.00 0.00 H new ATOM 0 HG12 ILE A 409 -4.088 -7.364 14.390 1.00 0.00 H new ATOM 0 HG13 ILE A 409 -4.088 -6.465 12.886 1.00 0.00 H new ATOM 0 HG21 ILE A 409 -6.411 -6.938 15.835 1.00 0.00 H new ATOM 0 HG22 ILE A 409 -7.654 -7.723 14.832 1.00 0.00 H new ATOM 0 HG23 ILE A 409 -6.063 -8.493 15.043 1.00 0.00 H new ATOM 0 HD11 ILE A 409 -3.279 -5.046 14.754 1.00 0.00 H new ATOM 0 HD12 ILE A 409 -4.805 -4.406 14.101 1.00 0.00 H new ATOM 0 HD13 ILE A 409 -4.805 -5.319 15.628 1.00 0.00 H new ATOM 687 N VAL A 410 -8.135 -8.834 11.364 1.00 0.00 N ATOM 688 CA VAL A 410 -9.576 -9.176 11.157 1.00 0.00 C ATOM 689 C VAL A 410 -9.808 -10.642 11.548 1.00 0.00 C ATOM 690 O VAL A 410 -10.042 -11.488 10.706 1.00 0.00 O ATOM 691 CB VAL A 410 -9.857 -8.942 9.662 1.00 0.00 C ATOM 692 CG1 VAL A 410 -8.971 -9.850 8.793 1.00 0.00 C ATOM 693 CG2 VAL A 410 -11.332 -9.241 9.379 1.00 0.00 C ATOM 0 H VAL A 410 -7.478 -9.343 10.772 1.00 0.00 H new ATOM 0 HA VAL A 410 -10.243 -8.568 11.769 1.00 0.00 H new ATOM 0 HB VAL A 410 -9.631 -7.904 9.417 1.00 0.00 H new ATOM 0 HG11 VAL A 410 -9.186 -9.668 7.740 1.00 0.00 H new ATOM 0 HG12 VAL A 410 -7.922 -9.633 8.992 1.00 0.00 H new ATOM 0 HG13 VAL A 410 -9.177 -10.894 9.030 1.00 0.00 H new ATOM 0 HG21 VAL A 410 -11.540 -9.078 8.322 1.00 0.00 H new ATOM 0 HG22 VAL A 410 -11.549 -10.278 9.636 1.00 0.00 H new ATOM 0 HG23 VAL A 410 -11.959 -8.580 9.978 1.00 0.00 H new ATOM 703 N GLY A 411 -9.722 -10.953 12.825 1.00 0.00 N ATOM 704 CA GLY A 411 -9.909 -12.361 13.268 1.00 0.00 C ATOM 705 C GLY A 411 -8.529 -13.023 13.347 1.00 0.00 C ATOM 706 O GLY A 411 -8.278 -14.027 12.709 1.00 0.00 O ATOM 0 H GLY A 411 -9.530 -10.286 13.573 1.00 0.00 H new ATOM 0 HA2 GLY A 411 -10.402 -12.392 14.240 1.00 0.00 H new ATOM 0 HA3 GLY A 411 -10.549 -12.898 12.568 1.00 0.00 H new ATOM 710 N GLN A 412 -7.621 -12.450 14.115 1.00 0.00 N ATOM 711 CA GLN A 412 -6.231 -13.033 14.226 1.00 0.00 C ATOM 712 C GLN A 412 -6.291 -14.549 14.504 1.00 0.00 C ATOM 713 O GLN A 412 -5.898 -15.347 13.674 1.00 0.00 O ATOM 714 CB GLN A 412 -5.546 -12.313 15.404 1.00 0.00 C ATOM 715 CG GLN A 412 -5.319 -10.841 15.052 1.00 0.00 C ATOM 716 CD GLN A 412 -5.516 -9.981 16.308 1.00 0.00 C ATOM 717 OE1 GLN A 412 -4.556 -9.517 16.892 1.00 0.00 O ATOM 718 NE2 GLN A 412 -6.726 -9.744 16.758 1.00 0.00 N ATOM 0 H GLN A 412 -7.780 -11.608 14.668 1.00 0.00 H new ATOM 0 HA GLN A 412 -5.682 -12.894 13.295 1.00 0.00 H new ATOM 0 HB2 GLN A 412 -6.164 -12.391 16.299 1.00 0.00 H new ATOM 0 HB3 GLN A 412 -4.594 -12.793 15.631 1.00 0.00 H new ATOM 0 HG2 GLN A 412 -4.313 -10.701 14.656 1.00 0.00 H new ATOM 0 HG3 GLN A 412 -6.015 -10.531 14.272 1.00 0.00 H new ATOM 0 HE21 GLN A 412 -7.535 -10.130 16.272 1.00 0.00 H new ATOM 0 HE22 GLN A 412 -6.857 -9.173 17.593 1.00 0.00 H new ATOM 727 N ASP A 413 -6.783 -14.952 15.660 1.00 0.00 N ATOM 728 CA ASP A 413 -6.863 -16.418 15.972 1.00 0.00 C ATOM 729 C ASP A 413 -7.707 -16.662 17.240 1.00 0.00 C ATOM 730 O ASP A 413 -7.333 -17.444 18.094 1.00 0.00 O ATOM 731 CB ASP A 413 -5.412 -16.851 16.204 1.00 0.00 C ATOM 732 CG ASP A 413 -4.874 -17.545 14.951 1.00 0.00 C ATOM 733 OD1 ASP A 413 -5.431 -18.563 14.576 1.00 0.00 O ATOM 734 OD2 ASP A 413 -3.914 -17.047 14.386 1.00 0.00 O ATOM 0 H ASP A 413 -7.129 -14.333 16.393 1.00 0.00 H new ATOM 0 HA ASP A 413 -7.339 -16.980 15.169 1.00 0.00 H new ATOM 0 HB2 ASP A 413 -4.797 -15.983 16.443 1.00 0.00 H new ATOM 0 HB3 ASP A 413 -5.356 -17.526 17.058 1.00 0.00 H new ATOM 739 N GLU A 414 -8.841 -16.001 17.369 1.00 0.00 N ATOM 740 CA GLU A 414 -9.690 -16.204 18.582 1.00 0.00 C ATOM 741 C GLU A 414 -11.112 -16.623 18.174 1.00 0.00 C ATOM 742 O GLU A 414 -12.070 -15.919 18.438 1.00 0.00 O ATOM 743 CB GLU A 414 -9.706 -14.844 19.284 1.00 0.00 C ATOM 744 CG GLU A 414 -10.309 -14.999 20.681 1.00 0.00 C ATOM 745 CD GLU A 414 -10.787 -13.636 21.186 1.00 0.00 C ATOM 746 OE1 GLU A 414 -10.030 -12.686 21.072 1.00 0.00 O ATOM 747 OE2 GLU A 414 -11.902 -13.565 21.676 1.00 0.00 O ATOM 0 H GLU A 414 -9.208 -15.336 16.688 1.00 0.00 H new ATOM 0 HA GLU A 414 -9.305 -16.992 19.230 1.00 0.00 H new ATOM 0 HB2 GLU A 414 -8.693 -14.448 19.355 1.00 0.00 H new ATOM 0 HB3 GLU A 414 -10.288 -14.129 18.702 1.00 0.00 H new ATOM 0 HG2 GLU A 414 -11.143 -15.701 20.653 1.00 0.00 H new ATOM 0 HG3 GLU A 414 -9.567 -15.412 21.365 1.00 0.00 H new ATOM 754 N THR A 415 -11.262 -17.768 17.539 1.00 0.00 N ATOM 755 CA THR A 415 -12.624 -18.223 17.129 1.00 0.00 C ATOM 756 C THR A 415 -12.833 -19.692 17.523 1.00 0.00 C ATOM 757 O THR A 415 -13.043 -20.542 16.676 1.00 0.00 O ATOM 758 CB THR A 415 -12.679 -18.057 15.607 1.00 0.00 C ATOM 759 OG1 THR A 415 -13.931 -18.529 15.128 1.00 0.00 O ATOM 760 CG2 THR A 415 -11.548 -18.854 14.948 1.00 0.00 C ATOM 0 H THR A 415 -10.501 -18.400 17.291 1.00 0.00 H new ATOM 0 HA THR A 415 -13.409 -17.646 17.619 1.00 0.00 H new ATOM 0 HB THR A 415 -12.561 -17.002 15.358 1.00 0.00 H new ATOM 0 HG1 THR A 415 -13.978 -19.502 15.239 1.00 0.00 H new ATOM 0 HG21 THR A 415 -11.597 -18.729 13.866 1.00 0.00 H new ATOM 0 HG22 THR A 415 -10.587 -18.491 15.312 1.00 0.00 H new ATOM 0 HG23 THR A 415 -11.655 -19.910 15.196 1.00 0.00 H new ATOM 768 N ASP A 416 -12.790 -20.001 18.803 1.00 0.00 N ATOM 769 CA ASP A 416 -13.001 -21.419 19.234 1.00 0.00 C ATOM 770 C ASP A 416 -14.417 -21.585 19.810 1.00 0.00 C ATOM 771 O ASP A 416 -14.612 -22.292 20.781 1.00 0.00 O ATOM 772 CB ASP A 416 -11.946 -21.689 20.313 1.00 0.00 C ATOM 773 CG ASP A 416 -10.634 -22.110 19.649 1.00 0.00 C ATOM 774 OD1 ASP A 416 -10.684 -22.942 18.757 1.00 0.00 O ATOM 775 OD2 ASP A 416 -9.601 -21.596 20.043 1.00 0.00 O ATOM 0 H ASP A 416 -12.619 -19.337 19.558 1.00 0.00 H new ATOM 0 HA ASP A 416 -12.904 -22.117 18.402 1.00 0.00 H new ATOM 0 HB2 ASP A 416 -11.790 -20.795 20.916 1.00 0.00 H new ATOM 0 HB3 ASP A 416 -12.292 -22.472 20.988 1.00 0.00 H new ATOM 780 N ASP A 417 -15.407 -20.939 19.223 1.00 0.00 N ATOM 781 CA ASP A 417 -16.800 -21.071 19.748 1.00 0.00 C ATOM 782 C ASP A 417 -17.805 -21.082 18.594 1.00 0.00 C ATOM 783 O ASP A 417 -18.338 -22.142 18.308 1.00 0.00 O ATOM 784 CB ASP A 417 -17.009 -19.839 20.630 1.00 0.00 C ATOM 785 CG ASP A 417 -17.851 -20.219 21.849 1.00 0.00 C ATOM 786 OD1 ASP A 417 -18.975 -20.651 21.655 1.00 0.00 O ATOM 787 OD2 ASP A 417 -17.358 -20.071 22.954 1.00 0.00 O ATOM 0 H ASP A 417 -15.305 -20.332 18.410 1.00 0.00 H new ATOM 0 HA ASP A 417 -16.945 -21.999 20.301 1.00 0.00 H new ATOM 0 HB2 ASP A 417 -16.046 -19.441 20.950 1.00 0.00 H new ATOM 0 HB3 ASP A 417 -17.507 -19.053 20.062 1.00 0.00 H new TER 792 ASP A 417 HETATM 793 ZN ZN A1001 -0.949 3.455 0.487 1.00 0.00 ZN HETATM 794 O5' ADN A1002 -6.097 13.738 9.117 1.00 0.00 O HETATM 795 C5' ADN A1002 -6.115 12.387 8.670 1.00 0.00 C HETATM 796 C4' ADN A1002 -5.099 12.186 7.572 1.00 0.00 C HETATM 797 O4' ADN A1002 -4.740 10.778 7.512 1.00 0.00 O HETATM 798 C3' ADN A1002 -5.585 12.528 6.170 1.00 0.00 C HETATM 799 O3' ADN A1002 -5.379 13.896 5.841 1.00 0.00 O HETATM 800 C2' ADN A1002 -4.733 11.615 5.299 1.00 0.00 C HETATM 801 O2' ADN A1002 -3.426 12.148 5.158 1.00 0.00 O HETATM 802 C1' ADN A1002 -4.681 10.356 6.161 1.00 0.00 C HETATM 803 N9 ADN A1002 -5.749 9.382 5.912 1.00 0.00 N HETATM 804 C8 ADN A1002 -6.948 9.247 6.577 1.00 0.00 C HETATM 805 N7 ADN A1002 -7.706 8.276 6.126 1.00 0.00 N HETATM 806 C5 ADN A1002 -6.963 7.728 5.094 1.00 0.00 C HETATM 807 C6 ADN A1002 -7.200 6.642 4.187 1.00 0.00 C HETATM 808 N6 ADN A1002 -8.312 5.902 4.201 1.00 0.00 N HETATM 809 N1 ADN A1002 -6.234 6.349 3.257 1.00 0.00 N HETATM 810 C2 ADN A1002 -5.098 7.100 3.237 1.00 0.00 C HETATM 811 N3 ADN A1002 -4.765 8.143 4.040 1.00 0.00 N HETATM 812 C4 ADN A1002 -5.747 8.401 4.948 1.00 0.00 C HETATM 0 HO5' ADN A1002 -6.761 13.856 9.828 1.00 0.00 H new HETATM 0 HO3' ADN A1002 -4.513 13.998 5.394 1.00 0.00 H new HETATM 0 HN62 ADN A1002 -8.427 5.141 3.531 1.00 0.00 H new HETATM 0 HN61 ADN A1002 -9.046 6.098 4.881 1.00 0.00 H new HETATM 0 H5'2 ADN A1002 -5.898 11.718 9.503 1.00 0.00 H new HETATM 0 H5'1 ADN A1002 -7.110 12.130 8.306 1.00 0.00 H new HETATM 0 H8 ADN A1002 -7.241 9.891 7.406 1.00 0.00 H new HETATM 0 H4' ADN A1002 -4.280 12.857 7.830 1.00 0.00 H new HETATM 0 H3' ADN A1002 -6.658 12.384 6.047 1.00 0.00 H new HETATM 0 H2' ADN A1002 -5.118 11.468 4.290 1.00 0.00 H new HETATM 0 H2 ADN A1002 -4.362 6.829 2.480 1.00 0.00 H new HETATM 0 H1' ADN A1002 -3.760 9.831 5.910 1.00 0.00 H new HETATM 825 O5' RIB A1003 -1.339 15.282 1.680 1.00 0.00 O HETATM 826 C5' RIB A1003 -1.220 13.888 1.408 1.00 0.00 C HETATM 827 C4' RIB A1003 -1.235 13.102 2.697 1.00 0.00 C HETATM 828 O4' RIB A1003 -2.521 13.270 3.349 1.00 0.00 O HETATM 829 C3' RIB A1003 -1.043 11.598 2.554 1.00 0.00 C HETATM 830 O3' RIB A1003 0.334 11.242 2.604 1.00 0.00 O HETATM 831 C2' RIB A1003 -1.817 11.041 3.744 1.00 0.00 C HETATM 832 O2' RIB A1003 -1.046 11.130 4.926 1.00 0.00 O HETATM 833 C1' RIB A1003 -2.987 12.020 3.821 1.00 0.00 C HETATM 0 HO5' RIB A1003 -1.327 15.782 0.837 1.00 0.00 H new HETATM 0 HO3' RIB A1003 0.604 11.110 3.537 1.00 0.00 H new HETATM 0 HO2' RIB A1003 -1.623 11.393 5.674 1.00 0.00 H new HETATM 0 H5'2 RIB A1003 -2.039 13.564 0.766 1.00 0.00 H new HETATM 0 H5'1 RIB A1003 -0.295 13.694 0.866 1.00 0.00 H new HETATM 0 H4' RIB A1003 -0.389 13.498 3.259 1.00 0.00 H new HETATM 0 H3' RIB A1003 -1.394 11.207 1.599 1.00 0.00 H new HETATM 0 H2' RIB A1003 -2.098 9.993 3.640 1.00 0.00 H new