USER MOD reduce.3.24.130724 H: found=0, std=0, add=372, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 375 hydrogens (0 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 378 SER OG : rot 162:sc= -0.904! USER MOD Set 1.2: A 408 GLN : amide:sc= -1.47 X(o=-2.4,f=-2) USER MOD Set 2.1: A 381 TYR OH : rot -87:sc= 0.216 USER MOD Set 2.2: A 386 TYR OH : rot 150:sc= 0 USER MOD Single : A 367 SER OG : rot 43:sc= 0.569 USER MOD Single : A 369 SER OG : rot 180:sc= 0 USER MOD Single : A 372 ASN : amide:sc= -0.0583 X(o=-0.058,f=-0.058) 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 380 MET CE :methyl 168:sc= -0.326 (180deg=-0.417) USER MOD Single : A 384 ASN : amide:sc= -0.203 X(o=-0.2,f=-0.07) USER MOD Single : A 388 LYS NZ :NH3+ -160:sc= -0.247 (180deg=-0.974) USER MOD Single : A 389 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 394 GLN : amide:sc= -0.747 K(o=-0.75,f=-3!) USER MOD Single : A 395 HIS : no HD1:sc= -0.725 K(o=-0.72,f=-0.18) USER MOD Single : A 397 SER OG : rot 110:sc= -0.611 USER MOD Single : A 402 SER OG : rot 180:sc= 0.221 USER MOD Single : A 404 TYR OH : rot 180:sc= 0 USER MOD Single : A 412 GLN : amide:sc= -3.69! C(o=-3.7!,f=-2.2!) USER MOD Single : A 415 THR OG1 : rot -50:sc= 0.5 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 363 -19.740 3.639 9.192 1.00 0.00 N ATOM 2 CA GLY A 363 -19.672 3.959 7.738 1.00 0.00 C ATOM 3 C GLY A 363 -18.377 3.384 7.145 1.00 0.00 C ATOM 4 O GLY A 363 -17.397 4.092 7.018 1.00 0.00 O ATOM 0 HA2 GLY A 363 -20.537 3.542 7.222 1.00 0.00 H new ATOM 0 HA3 GLY A 363 -19.704 5.039 7.591 1.00 0.00 H new ATOM 10 N PRO A 364 -18.404 2.114 6.798 1.00 0.00 N ATOM 11 CA PRO A 364 -17.200 1.470 6.217 1.00 0.00 C ATOM 12 C PRO A 364 -16.972 1.961 4.778 1.00 0.00 C ATOM 13 O PRO A 364 -17.852 1.865 3.943 1.00 0.00 O ATOM 14 CB PRO A 364 -17.539 -0.018 6.235 1.00 0.00 C ATOM 15 CG PRO A 364 -19.033 -0.076 6.222 1.00 0.00 C ATOM 16 CD PRO A 364 -19.530 1.170 6.909 1.00 0.00 C ATOM 0 HA PRO A 364 -16.287 1.699 6.766 1.00 0.00 H new ATOM 0 HB2 PRO A 364 -17.117 -0.529 5.370 1.00 0.00 H new ATOM 0 HB3 PRO A 364 -17.133 -0.504 7.122 1.00 0.00 H new ATOM 0 HG2 PRO A 364 -19.408 -0.128 5.200 1.00 0.00 H new ATOM 0 HG3 PRO A 364 -19.389 -0.968 6.738 1.00 0.00 H new ATOM 0 HD2 PRO A 364 -20.427 1.560 6.427 1.00 0.00 H new ATOM 0 HD3 PRO A 364 -19.786 0.976 7.950 1.00 0.00 H new ATOM 24 N LEU A 365 -15.800 2.486 4.478 1.00 0.00 N ATOM 25 CA LEU A 365 -15.532 2.976 3.093 1.00 0.00 C ATOM 26 C LEU A 365 -14.101 2.610 2.668 1.00 0.00 C ATOM 27 O LEU A 365 -13.371 3.443 2.163 1.00 0.00 O ATOM 28 CB LEU A 365 -15.696 4.494 3.172 1.00 0.00 C ATOM 29 CG LEU A 365 -17.125 4.875 2.778 1.00 0.00 C ATOM 30 CD1 LEU A 365 -17.560 6.111 3.567 1.00 0.00 C ATOM 31 CD2 LEU A 365 -17.173 5.183 1.280 1.00 0.00 C ATOM 0 H LEU A 365 -15.026 2.593 5.133 1.00 0.00 H new ATOM 0 HA LEU A 365 -16.204 2.531 2.360 1.00 0.00 H new ATOM 0 HB2 LEU A 365 -15.481 4.841 4.183 1.00 0.00 H new ATOM 0 HB3 LEU A 365 -14.982 4.982 2.509 1.00 0.00 H new ATOM 0 HG LEU A 365 -17.798 4.047 3.002 1.00 0.00 H new ATOM 0 HD11 LEU A 365 -18.578 6.382 3.286 1.00 0.00 H new ATOM 0 HD12 LEU A 365 -17.524 5.893 4.634 1.00 0.00 H new ATOM 0 HD13 LEU A 365 -16.889 6.940 3.343 1.00 0.00 H new ATOM 0 HD21 LEU A 365 -18.190 5.455 0.997 1.00 0.00 H new ATOM 0 HD22 LEU A 365 -16.501 6.011 1.057 1.00 0.00 H new ATOM 0 HD23 LEU A 365 -16.863 4.303 0.717 1.00 0.00 H new ATOM 43 N GLY A 366 -13.691 1.373 2.865 1.00 0.00 N ATOM 44 CA GLY A 366 -12.309 0.970 2.469 1.00 0.00 C ATOM 45 C GLY A 366 -12.376 0.028 1.258 1.00 0.00 C ATOM 46 O GLY A 366 -12.275 -1.176 1.403 1.00 0.00 O ATOM 0 H GLY A 366 -14.256 0.633 3.282 1.00 0.00 H new ATOM 0 HA2 GLY A 366 -11.718 1.852 2.224 1.00 0.00 H new ATOM 0 HA3 GLY A 366 -11.811 0.474 3.302 1.00 0.00 H new ATOM 50 N SER A 367 -12.544 0.561 0.065 1.00 0.00 N ATOM 51 CA SER A 367 -12.615 -0.315 -1.144 1.00 0.00 C ATOM 52 C SER A 367 -11.912 0.359 -2.332 1.00 0.00 C ATOM 53 O SER A 367 -12.433 1.294 -2.912 1.00 0.00 O ATOM 54 CB SER A 367 -14.108 -0.480 -1.426 1.00 0.00 C ATOM 55 OG SER A 367 -14.724 0.801 -1.450 1.00 0.00 O ATOM 0 H SER A 367 -12.634 1.560 -0.118 1.00 0.00 H new ATOM 0 HA SER A 367 -12.121 -1.274 -0.988 1.00 0.00 H new ATOM 0 HB2 SER A 367 -14.256 -0.986 -2.380 1.00 0.00 H new ATOM 0 HB3 SER A 367 -14.568 -1.104 -0.660 1.00 0.00 H new ATOM 0 HG SER A 367 -14.154 1.429 -1.941 1.00 0.00 H new ATOM 61 N GLY A 368 -10.734 -0.103 -2.702 1.00 0.00 N ATOM 62 CA GLY A 368 -10.013 0.521 -3.852 1.00 0.00 C ATOM 63 C GLY A 368 -9.344 -0.574 -4.695 1.00 0.00 C ATOM 64 O GLY A 368 -8.619 -1.402 -4.176 1.00 0.00 O ATOM 0 H GLY A 368 -10.248 -0.881 -2.256 1.00 0.00 H new ATOM 0 HA2 GLY A 368 -10.711 1.091 -4.465 1.00 0.00 H new ATOM 0 HA3 GLY A 368 -9.263 1.222 -3.487 1.00 0.00 H new ATOM 68 N SER A 369 -9.580 -0.590 -5.993 1.00 0.00 N ATOM 69 CA SER A 369 -8.952 -1.636 -6.855 1.00 0.00 C ATOM 70 C SER A 369 -8.573 -1.040 -8.220 1.00 0.00 C ATOM 71 O SER A 369 -9.399 -0.957 -9.111 1.00 0.00 O ATOM 72 CB SER A 369 -10.026 -2.711 -7.019 1.00 0.00 C ATOM 73 OG SER A 369 -9.771 -3.773 -6.109 1.00 0.00 O ATOM 0 H SER A 369 -10.178 0.075 -6.484 1.00 0.00 H new ATOM 0 HA SER A 369 -8.037 -2.037 -6.418 1.00 0.00 H new ATOM 0 HB2 SER A 369 -11.013 -2.287 -6.833 1.00 0.00 H new ATOM 0 HB3 SER A 369 -10.028 -3.086 -8.042 1.00 0.00 H new ATOM 0 HG SER A 369 -10.459 -4.463 -6.211 1.00 0.00 H new ATOM 79 N GLU A 370 -7.334 -0.624 -8.397 1.00 0.00 N ATOM 80 CA GLU A 370 -6.924 -0.037 -9.708 1.00 0.00 C ATOM 81 C GLU A 370 -5.488 -0.461 -10.057 1.00 0.00 C ATOM 82 O GLU A 370 -4.751 -0.917 -9.204 1.00 0.00 O ATOM 83 CB GLU A 370 -7.002 1.477 -9.507 1.00 0.00 C ATOM 84 CG GLU A 370 -7.617 2.125 -10.751 1.00 0.00 C ATOM 85 CD GLU A 370 -9.130 2.253 -10.565 1.00 0.00 C ATOM 86 OE1 GLU A 370 -9.830 1.320 -10.920 1.00 0.00 O ATOM 87 OE2 GLU A 370 -9.562 3.282 -10.071 1.00 0.00 O ATOM 0 H GLU A 370 -6.599 -0.668 -7.692 1.00 0.00 H new ATOM 0 HA GLU A 370 -7.561 -0.373 -10.526 1.00 0.00 H new ATOM 0 HB2 GLU A 370 -7.604 1.708 -8.628 1.00 0.00 H new ATOM 0 HB3 GLU A 370 -6.006 1.883 -9.327 1.00 0.00 H new ATOM 0 HG2 GLU A 370 -7.176 3.108 -10.918 1.00 0.00 H new ATOM 0 HG3 GLU A 370 -7.398 1.524 -11.633 1.00 0.00 H new ATOM 94 N GLY A 371 -5.083 -0.315 -11.303 1.00 0.00 N ATOM 95 CA GLY A 371 -3.693 -0.716 -11.690 1.00 0.00 C ATOM 96 C GLY A 371 -3.226 0.101 -12.904 1.00 0.00 C ATOM 97 O GLY A 371 -2.706 -0.449 -13.858 1.00 0.00 O ATOM 0 H GLY A 371 -5.653 0.062 -12.060 1.00 0.00 H new ATOM 0 HA2 GLY A 371 -3.014 -0.557 -10.852 1.00 0.00 H new ATOM 0 HA3 GLY A 371 -3.665 -1.780 -11.926 1.00 0.00 H new ATOM 101 N ASN A 372 -3.404 1.408 -12.884 1.00 0.00 N ATOM 102 CA ASN A 372 -2.964 2.238 -14.047 1.00 0.00 C ATOM 103 C ASN A 372 -2.422 3.593 -13.564 1.00 0.00 C ATOM 104 O ASN A 372 -1.245 3.868 -13.693 1.00 0.00 O ATOM 105 CB ASN A 372 -4.222 2.428 -14.896 1.00 0.00 C ATOM 106 CG ASN A 372 -4.411 1.211 -15.811 1.00 0.00 C ATOM 107 OD1 ASN A 372 -3.731 1.082 -16.809 1.00 0.00 O ATOM 108 ND2 ASN A 372 -5.310 0.303 -15.516 1.00 0.00 N ATOM 0 H ASN A 372 -3.832 1.926 -12.117 1.00 0.00 H new ATOM 0 HA ASN A 372 -2.161 1.764 -14.611 1.00 0.00 H new ATOM 0 HB2 ASN A 372 -5.093 2.551 -14.252 1.00 0.00 H new ATOM 0 HB3 ASN A 372 -4.137 3.336 -15.493 1.00 0.00 H new ATOM 0 HD21 ASN A 372 -5.435 -0.507 -16.123 1.00 0.00 H new ATOM 0 HD22 ASN A 372 -5.884 0.406 -14.679 1.00 0.00 H new ATOM 115 N LYS A 373 -3.265 4.447 -13.013 1.00 0.00 N ATOM 116 CA LYS A 373 -2.770 5.782 -12.533 1.00 0.00 C ATOM 117 C LYS A 373 -3.845 6.499 -11.695 1.00 0.00 C ATOM 118 O LYS A 373 -4.500 7.406 -12.175 1.00 0.00 O ATOM 119 CB LYS A 373 -2.466 6.574 -13.813 1.00 0.00 C ATOM 120 CG LYS A 373 -0.947 6.644 -14.039 1.00 0.00 C ATOM 121 CD LYS A 373 -0.615 6.266 -15.486 1.00 0.00 C ATOM 122 CE LYS A 373 0.853 6.589 -15.776 1.00 0.00 C ATOM 123 NZ LYS A 373 0.901 6.908 -17.230 1.00 0.00 N ATOM 0 H LYS A 373 -4.262 4.278 -12.877 1.00 0.00 H new ATOM 0 HA LYS A 373 -1.895 5.684 -11.891 1.00 0.00 H new ATOM 0 HB2 LYS A 373 -2.948 6.099 -14.668 1.00 0.00 H new ATOM 0 HB3 LYS A 373 -2.877 7.580 -13.734 1.00 0.00 H new ATOM 0 HG2 LYS A 373 -0.585 7.650 -13.825 1.00 0.00 H new ATOM 0 HG3 LYS A 373 -0.437 5.969 -13.352 1.00 0.00 H new ATOM 0 HD2 LYS A 373 -0.803 5.205 -15.648 1.00 0.00 H new ATOM 0 HD3 LYS A 373 -1.261 6.813 -16.173 1.00 0.00 H new ATOM 0 HE2 LYS A 373 1.197 7.432 -15.176 1.00 0.00 H new ATOM 0 HE3 LYS A 373 1.497 5.743 -15.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 373 1.878 7.140 -17.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 373 0.575 6.086 -17.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 373 0.284 7.722 -17.427 1.00 0.00 H new ATOM 137 N VAL A 374 -4.038 6.099 -10.453 1.00 0.00 N ATOM 138 CA VAL A 374 -5.074 6.760 -9.612 1.00 0.00 C ATOM 139 C VAL A 374 -4.622 6.842 -8.143 1.00 0.00 C ATOM 140 O VAL A 374 -3.741 6.113 -7.723 1.00 0.00 O ATOM 141 CB VAL A 374 -6.308 5.861 -9.748 1.00 0.00 C ATOM 142 CG1 VAL A 374 -6.018 4.463 -9.184 1.00 0.00 C ATOM 143 CG2 VAL A 374 -7.479 6.483 -8.981 1.00 0.00 C ATOM 0 H VAL A 374 -3.522 5.347 -9.996 1.00 0.00 H new ATOM 0 HA VAL A 374 -5.267 7.785 -9.928 1.00 0.00 H new ATOM 0 HB VAL A 374 -6.561 5.771 -10.804 1.00 0.00 H new ATOM 0 HG11 VAL A 374 -6.905 3.837 -9.288 1.00 0.00 H new ATOM 0 HG12 VAL A 374 -5.190 4.014 -9.733 1.00 0.00 H new ATOM 0 HG13 VAL A 374 -5.753 4.544 -8.130 1.00 0.00 H new ATOM 0 HG21 VAL A 374 -8.357 5.844 -9.077 1.00 0.00 H new ATOM 0 HG22 VAL A 374 -7.214 6.580 -7.928 1.00 0.00 H new ATOM 0 HG23 VAL A 374 -7.700 7.468 -9.391 1.00 0.00 H new ATOM 153 N LYS A 375 -5.237 7.699 -7.354 1.00 0.00 N ATOM 154 CA LYS A 375 -4.845 7.782 -5.907 1.00 0.00 C ATOM 155 C LYS A 375 -5.460 6.588 -5.156 1.00 0.00 C ATOM 156 O LYS A 375 -6.568 6.659 -4.659 1.00 0.00 O ATOM 157 CB LYS A 375 -5.388 9.113 -5.364 1.00 0.00 C ATOM 158 CG LYS A 375 -4.370 9.713 -4.391 1.00 0.00 C ATOM 159 CD LYS A 375 -4.392 11.240 -4.498 1.00 0.00 C ATOM 160 CE LYS A 375 -2.996 11.795 -4.193 1.00 0.00 C ATOM 161 NZ LYS A 375 -2.409 12.113 -5.524 1.00 0.00 N ATOM 0 H LYS A 375 -5.981 8.334 -7.644 1.00 0.00 H new ATOM 0 HA LYS A 375 -3.763 7.745 -5.777 1.00 0.00 H new ATOM 0 HB2 LYS A 375 -5.576 9.805 -6.185 1.00 0.00 H new ATOM 0 HB3 LYS A 375 -6.340 8.952 -4.859 1.00 0.00 H new ATOM 0 HG2 LYS A 375 -4.603 9.407 -3.371 1.00 0.00 H new ATOM 0 HG3 LYS A 375 -3.372 9.337 -4.616 1.00 0.00 H new ATOM 0 HD2 LYS A 375 -4.704 11.540 -5.498 1.00 0.00 H new ATOM 0 HD3 LYS A 375 -5.120 11.653 -3.800 1.00 0.00 H new ATOM 0 HE2 LYS A 375 -3.053 12.684 -3.564 1.00 0.00 H new ATOM 0 HE3 LYS A 375 -2.389 11.065 -3.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 375 -1.451 12.499 -5.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 375 -2.361 11.247 -6.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 375 -3.004 12.816 -6.007 1.00 0.00 H new ATOM 175 N ARG A 376 -4.743 5.487 -5.088 1.00 0.00 N ATOM 176 CA ARG A 376 -5.282 4.276 -4.381 1.00 0.00 C ATOM 177 C ARG A 376 -5.622 4.597 -2.925 1.00 0.00 C ATOM 178 O ARG A 376 -5.345 5.676 -2.432 1.00 0.00 O ATOM 179 CB ARG A 376 -4.187 3.202 -4.434 1.00 0.00 C ATOM 180 CG ARG A 376 -4.459 2.263 -5.607 1.00 0.00 C ATOM 181 CD ARG A 376 -3.244 1.363 -5.830 1.00 0.00 C ATOM 182 NE ARG A 376 -3.177 1.196 -7.314 1.00 0.00 N ATOM 183 CZ ARG A 376 -2.685 2.150 -8.094 1.00 0.00 C ATOM 184 NH1 ARG A 376 -2.221 3.274 -7.595 1.00 0.00 N ATOM 185 NH2 ARG A 376 -2.663 1.977 -9.390 1.00 0.00 N ATOM 0 H ARG A 376 -3.812 5.375 -5.490 1.00 0.00 H new ATOM 0 HA ARG A 376 -6.198 3.935 -4.863 1.00 0.00 H new ATOM 0 HB2 ARG A 376 -3.208 3.669 -4.546 1.00 0.00 H new ATOM 0 HB3 ARG A 376 -4.167 2.640 -3.500 1.00 0.00 H new ATOM 0 HG2 ARG A 376 -5.342 1.657 -5.405 1.00 0.00 H new ATOM 0 HG3 ARG A 376 -4.668 2.840 -6.508 1.00 0.00 H new ATOM 0 HD2 ARG A 376 -2.334 1.819 -5.439 1.00 0.00 H new ATOM 0 HD3 ARG A 376 -3.362 0.403 -5.326 1.00 0.00 H new ATOM 0 HE ARG A 376 -3.516 0.331 -7.735 1.00 0.00 H new ATOM 0 HH11 ARG A 376 -2.234 3.428 -6.587 1.00 0.00 H new ATOM 0 HH12 ARG A 376 -1.848 3.992 -8.216 1.00 0.00 H new ATOM 0 HH21 ARG A 376 -3.023 1.113 -9.795 1.00 0.00 H new ATOM 0 HH22 ARG A 376 -2.286 2.706 -9.996 1.00 0.00 H new ATOM 199 N THR A 377 -6.212 3.651 -2.233 1.00 0.00 N ATOM 200 CA THR A 377 -6.566 3.875 -0.798 1.00 0.00 C ATOM 201 C THR A 377 -5.356 3.463 0.065 1.00 0.00 C ATOM 202 O THR A 377 -4.757 2.430 -0.165 1.00 0.00 O ATOM 203 CB THR A 377 -7.816 2.996 -0.558 1.00 0.00 C ATOM 204 OG1 THR A 377 -8.963 3.698 -1.017 1.00 0.00 O ATOM 205 CG2 THR A 377 -7.996 2.664 0.932 1.00 0.00 C ATOM 0 H THR A 377 -6.463 2.734 -2.602 1.00 0.00 H new ATOM 0 HA THR A 377 -6.790 4.910 -0.540 1.00 0.00 H new ATOM 0 HB THR A 377 -7.687 2.060 -1.101 1.00 0.00 H new ATOM 0 HG1 THR A 377 -9.762 3.150 -0.872 1.00 0.00 H new ATOM 0 HG21 THR A 377 -8.884 2.045 1.062 1.00 0.00 H new ATOM 0 HG22 THR A 377 -7.121 2.123 1.293 1.00 0.00 H new ATOM 0 HG23 THR A 377 -8.111 3.588 1.499 1.00 0.00 H new ATOM 213 N SER A 378 -4.980 4.267 1.034 1.00 0.00 N ATOM 214 CA SER A 378 -3.782 3.901 1.872 1.00 0.00 C ATOM 215 C SER A 378 -4.039 2.595 2.638 1.00 0.00 C ATOM 216 O SER A 378 -4.986 2.496 3.392 1.00 0.00 O ATOM 217 CB SER A 378 -3.568 5.044 2.863 1.00 0.00 C ATOM 218 OG SER A 378 -4.637 5.037 3.802 1.00 0.00 O ATOM 0 H SER A 378 -5.438 5.145 1.281 1.00 0.00 H new ATOM 0 HA SER A 378 -2.906 3.751 1.242 1.00 0.00 H new ATOM 0 HB2 SER A 378 -2.613 4.926 3.376 1.00 0.00 H new ATOM 0 HB3 SER A 378 -3.532 5.998 2.338 1.00 0.00 H new ATOM 0 HG SER A 378 -4.380 5.553 4.595 1.00 0.00 H new ATOM 224 N CYS A 379 -3.219 1.582 2.428 1.00 0.00 N ATOM 225 CA CYS A 379 -3.425 0.256 3.126 1.00 0.00 C ATOM 226 C CYS A 379 -3.772 0.431 4.613 1.00 0.00 C ATOM 227 O CYS A 379 -3.286 1.340 5.259 1.00 0.00 O ATOM 228 CB CYS A 379 -2.088 -0.486 3.017 1.00 0.00 C ATOM 229 SG CYS A 379 -2.359 -2.263 3.150 1.00 0.00 S ATOM 0 H CYS A 379 -2.414 1.614 1.803 1.00 0.00 H new ATOM 0 HA CYS A 379 -4.254 -0.281 2.665 1.00 0.00 H new ATOM 0 HB2 CYS A 379 -1.609 -0.253 2.066 1.00 0.00 H new ATOM 0 HB3 CYS A 379 -1.412 -0.153 3.804 1.00 0.00 H new ATOM 234 N MET A 380 -4.607 -0.440 5.159 1.00 0.00 N ATOM 235 CA MET A 380 -4.978 -0.330 6.619 1.00 0.00 C ATOM 236 C MET A 380 -3.718 -0.113 7.480 1.00 0.00 C ATOM 237 O MET A 380 -3.758 0.590 8.473 1.00 0.00 O ATOM 238 CB MET A 380 -5.666 -1.657 7.002 1.00 0.00 C ATOM 239 CG MET A 380 -4.720 -2.837 6.742 1.00 0.00 C ATOM 240 SD MET A 380 -5.682 -4.357 6.548 1.00 0.00 S ATOM 241 CE MET A 380 -5.035 -4.823 4.924 1.00 0.00 C ATOM 0 H MET A 380 -5.043 -1.215 4.660 1.00 0.00 H new ATOM 0 HA MET A 380 -5.640 0.519 6.790 1.00 0.00 H new ATOM 0 HB2 MET A 380 -5.953 -1.636 8.053 1.00 0.00 H new ATOM 0 HB3 MET A 380 -6.582 -1.781 6.424 1.00 0.00 H new ATOM 0 HG2 MET A 380 -4.130 -2.652 5.845 1.00 0.00 H new ATOM 0 HG3 MET A 380 -4.018 -2.942 7.569 1.00 0.00 H new ATOM 0 HE1 MET A 380 -5.331 -5.846 4.694 1.00 0.00 H new ATOM 0 HE2 MET A 380 -5.436 -4.150 4.166 1.00 0.00 H new ATOM 0 HE3 MET A 380 -3.947 -4.753 4.932 1.00 0.00 H new ATOM 251 N TYR A 381 -2.598 -0.715 7.114 1.00 0.00 N ATOM 252 CA TYR A 381 -1.356 -0.527 7.933 1.00 0.00 C ATOM 253 C TYR A 381 -0.702 0.829 7.645 1.00 0.00 C ATOM 254 O TYR A 381 -0.067 1.392 8.520 1.00 0.00 O ATOM 255 CB TYR A 381 -0.396 -1.670 7.566 1.00 0.00 C ATOM 256 CG TYR A 381 -1.049 -2.991 7.886 1.00 0.00 C ATOM 257 CD1 TYR A 381 -1.098 -3.453 9.230 1.00 0.00 C ATOM 258 CD2 TYR A 381 -1.616 -3.773 6.845 1.00 0.00 C ATOM 259 CE1 TYR A 381 -1.716 -4.695 9.532 1.00 0.00 C ATOM 260 CE2 TYR A 381 -2.235 -5.016 7.147 1.00 0.00 C ATOM 261 CZ TYR A 381 -2.285 -5.477 8.490 1.00 0.00 C ATOM 262 OH TYR A 381 -2.885 -6.685 8.783 1.00 0.00 O ATOM 0 H TYR A 381 -2.497 -1.317 6.297 1.00 0.00 H new ATOM 0 HA TYR A 381 -1.599 -0.544 8.995 1.00 0.00 H new ATOM 0 HB2 TYR A 381 -0.144 -1.623 6.507 1.00 0.00 H new ATOM 0 HB3 TYR A 381 0.537 -1.569 8.120 1.00 0.00 H new ATOM 0 HD1 TYR A 381 -0.665 -2.859 10.021 1.00 0.00 H new ATOM 0 HD2 TYR A 381 -1.577 -3.423 5.824 1.00 0.00 H new ATOM 0 HE1 TYR A 381 -1.754 -5.046 10.553 1.00 0.00 H new ATOM 0 HE2 TYR A 381 -2.667 -5.610 6.356 1.00 0.00 H new ATOM 0 HH TYR A 381 -2.210 -7.396 8.775 1.00 0.00 H new ATOM 272 N GLY A 382 -0.839 1.379 6.450 1.00 0.00 N ATOM 273 CA GLY A 382 -0.210 2.703 6.175 1.00 0.00 C ATOM 274 C GLY A 382 1.318 2.592 6.257 1.00 0.00 C ATOM 275 O GLY A 382 1.980 2.390 5.261 1.00 0.00 O ATOM 0 H GLY A 382 -1.353 0.968 5.671 1.00 0.00 H new ATOM 0 HA2 GLY A 382 -0.504 3.055 5.186 1.00 0.00 H new ATOM 0 HA3 GLY A 382 -0.567 3.440 6.894 1.00 0.00 H new ATOM 279 N ALA A 383 1.885 2.727 7.437 1.00 0.00 N ATOM 280 CA ALA A 383 3.379 2.641 7.559 1.00 0.00 C ATOM 281 C ALA A 383 3.865 1.271 8.074 1.00 0.00 C ATOM 282 O ALA A 383 5.054 1.090 8.258 1.00 0.00 O ATOM 283 CB ALA A 383 3.771 3.737 8.553 1.00 0.00 C ATOM 0 H ALA A 383 1.384 2.891 8.310 1.00 0.00 H new ATOM 0 HA ALA A 383 3.839 2.766 6.579 1.00 0.00 H new ATOM 0 HB1 ALA A 383 4.852 3.733 8.691 1.00 0.00 H new ATOM 0 HB2 ALA A 383 3.458 4.707 8.167 1.00 0.00 H new ATOM 0 HB3 ALA A 383 3.282 3.552 9.510 1.00 0.00 H new ATOM 289 N ASN A 384 2.992 0.309 8.328 1.00 0.00 N ATOM 290 CA ASN A 384 3.486 -1.003 8.846 1.00 0.00 C ATOM 291 C ASN A 384 2.955 -2.205 8.039 1.00 0.00 C ATOM 292 O ASN A 384 2.923 -3.301 8.558 1.00 0.00 O ATOM 293 CB ASN A 384 2.968 -1.066 10.282 1.00 0.00 C ATOM 294 CG ASN A 384 3.609 0.058 11.104 1.00 0.00 C ATOM 295 OD1 ASN A 384 4.647 -0.135 11.704 1.00 0.00 O ATOM 296 ND2 ASN A 384 3.037 1.236 11.158 1.00 0.00 N ATOM 0 H ASN A 384 1.983 0.381 8.200 1.00 0.00 H new ATOM 0 HA ASN A 384 4.572 -1.064 8.771 1.00 0.00 H new ATOM 0 HB2 ASN A 384 1.883 -0.966 10.293 1.00 0.00 H new ATOM 0 HB3 ASN A 384 3.204 -2.034 10.723 1.00 0.00 H new ATOM 0 HD21 ASN A 384 3.464 1.986 11.702 1.00 0.00 H new ATOM 0 HD22 ASN A 384 2.165 1.403 10.656 1.00 0.00 H new ATOM 303 N CYS A 385 2.527 -2.030 6.797 1.00 0.00 N ATOM 304 CA CYS A 385 1.996 -3.214 6.006 1.00 0.00 C ATOM 305 C CYS A 385 3.046 -4.345 5.945 1.00 0.00 C ATOM 306 O CYS A 385 3.819 -4.425 5.010 1.00 0.00 O ATOM 307 CB CYS A 385 1.706 -2.693 4.584 1.00 0.00 C ATOM 308 SG CYS A 385 0.912 -3.988 3.594 1.00 0.00 S ATOM 0 H CYS A 385 2.521 -1.138 6.302 1.00 0.00 H new ATOM 0 HA CYS A 385 1.101 -3.623 6.475 1.00 0.00 H new ATOM 0 HB2 CYS A 385 1.060 -1.816 4.634 1.00 0.00 H new ATOM 0 HB3 CYS A 385 2.634 -2.378 4.107 1.00 0.00 H new ATOM 313 N TYR A 386 3.090 -5.211 6.941 1.00 0.00 N ATOM 314 CA TYR A 386 4.112 -6.323 6.935 1.00 0.00 C ATOM 315 C TYR A 386 3.937 -7.256 5.717 1.00 0.00 C ATOM 316 O TYR A 386 4.890 -7.873 5.278 1.00 0.00 O ATOM 317 CB TYR A 386 3.924 -7.112 8.252 1.00 0.00 C ATOM 318 CG TYR A 386 2.555 -7.762 8.292 1.00 0.00 C ATOM 319 CD1 TYR A 386 2.318 -8.965 7.573 1.00 0.00 C ATOM 320 CD2 TYR A 386 1.509 -7.174 9.055 1.00 0.00 C ATOM 321 CE1 TYR A 386 1.036 -9.578 7.616 1.00 0.00 C ATOM 322 CE2 TYR A 386 0.228 -7.789 9.097 1.00 0.00 C ATOM 323 CZ TYR A 386 -0.008 -8.990 8.378 1.00 0.00 C ATOM 324 OH TYR A 386 -1.253 -9.586 8.419 1.00 0.00 O ATOM 0 H TYR A 386 2.469 -5.198 7.750 1.00 0.00 H new ATOM 0 HA TYR A 386 5.117 -5.906 6.861 1.00 0.00 H new ATOM 0 HB2 TYR A 386 4.698 -7.875 8.339 1.00 0.00 H new ATOM 0 HB3 TYR A 386 4.040 -6.442 9.104 1.00 0.00 H new ATOM 0 HD1 TYR A 386 3.112 -9.413 6.994 1.00 0.00 H new ATOM 0 HD2 TYR A 386 1.688 -6.260 9.602 1.00 0.00 H new ATOM 0 HE1 TYR A 386 0.856 -10.492 7.069 1.00 0.00 H new ATOM 0 HE2 TYR A 386 -0.566 -7.342 9.676 1.00 0.00 H new ATOM 0 HH TYR A 386 -1.680 -9.392 9.279 1.00 0.00 H new ATOM 334 N ARG A 387 2.743 -7.374 5.166 1.00 0.00 N ATOM 335 CA ARG A 387 2.561 -8.283 3.980 1.00 0.00 C ATOM 336 C ARG A 387 2.736 -7.499 2.664 1.00 0.00 C ATOM 337 O ARG A 387 2.445 -6.320 2.599 1.00 0.00 O ATOM 338 CB ARG A 387 1.135 -8.866 4.098 1.00 0.00 C ATOM 339 CG ARG A 387 0.078 -7.761 3.915 1.00 0.00 C ATOM 340 CD ARG A 387 -0.830 -8.097 2.727 1.00 0.00 C ATOM 341 NE ARG A 387 -2.221 -7.851 3.217 1.00 0.00 N ATOM 342 CZ ARG A 387 -2.808 -8.680 4.066 1.00 0.00 C ATOM 343 NH1 ARG A 387 -2.190 -9.749 4.518 1.00 0.00 N ATOM 344 NH2 ARG A 387 -4.028 -8.437 4.468 1.00 0.00 N ATOM 0 H ARG A 387 1.902 -6.889 5.480 1.00 0.00 H new ATOM 0 HA ARG A 387 3.306 -9.078 3.968 1.00 0.00 H new ATOM 0 HB2 ARG A 387 0.991 -9.642 3.346 1.00 0.00 H new ATOM 0 HB3 ARG A 387 1.009 -9.338 5.072 1.00 0.00 H new ATOM 0 HG2 ARG A 387 -0.518 -7.662 4.822 1.00 0.00 H new ATOM 0 HG3 ARG A 387 0.568 -6.801 3.749 1.00 0.00 H new ATOM 0 HD2 ARG A 387 -0.599 -7.471 1.865 1.00 0.00 H new ATOM 0 HD3 ARG A 387 -0.700 -9.133 2.412 1.00 0.00 H new ATOM 0 HE ARG A 387 -2.728 -7.028 2.891 1.00 0.00 H new ATOM 0 HH11 ARG A 387 -1.238 -9.954 4.215 1.00 0.00 H new ATOM 0 HH12 ARG A 387 -2.663 -10.373 5.172 1.00 0.00 H new ATOM 0 HH21 ARG A 387 -4.522 -7.612 4.128 1.00 0.00 H new ATOM 0 HH22 ARG A 387 -4.485 -9.072 5.122 1.00 0.00 H new ATOM 358 N LYS A 388 3.207 -8.146 1.614 1.00 0.00 N ATOM 359 CA LYS A 388 3.391 -7.429 0.313 1.00 0.00 C ATOM 360 C LYS A 388 3.171 -8.392 -0.868 1.00 0.00 C ATOM 361 O LYS A 388 3.768 -9.451 -0.928 1.00 0.00 O ATOM 362 CB LYS A 388 4.834 -6.904 0.326 1.00 0.00 C ATOM 363 CG LYS A 388 5.830 -8.067 0.466 1.00 0.00 C ATOM 364 CD LYS A 388 6.672 -8.192 -0.810 1.00 0.00 C ATOM 365 CE LYS A 388 7.947 -7.356 -0.668 1.00 0.00 C ATOM 366 NZ LYS A 388 7.545 -5.974 -1.055 1.00 0.00 N ATOM 0 H LYS A 388 3.468 -9.132 1.607 1.00 0.00 H new ATOM 0 HA LYS A 388 2.673 -6.617 0.195 1.00 0.00 H new ATOM 0 HB2 LYS A 388 5.035 -6.354 -0.593 1.00 0.00 H new ATOM 0 HB3 LYS A 388 4.965 -6.204 1.151 1.00 0.00 H new ATOM 0 HG2 LYS A 388 6.479 -7.899 1.325 1.00 0.00 H new ATOM 0 HG3 LYS A 388 5.292 -8.997 0.650 1.00 0.00 H new ATOM 0 HD2 LYS A 388 6.928 -9.236 -0.988 1.00 0.00 H new ATOM 0 HD3 LYS A 388 6.097 -7.853 -1.672 1.00 0.00 H new ATOM 0 HE2 LYS A 388 8.327 -7.385 0.353 1.00 0.00 H new ATOM 0 HE3 LYS A 388 8.740 -7.732 -1.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 8.390 -5.426 -1.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 6.899 -6.015 -1.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 7.065 -5.515 -0.255 1.00 0.00 H new ATOM 380 N ASN A 389 2.317 -8.036 -1.805 1.00 0.00 N ATOM 381 CA ASN A 389 2.062 -8.933 -2.972 1.00 0.00 C ATOM 382 C ASN A 389 2.220 -8.145 -4.280 1.00 0.00 C ATOM 383 O ASN A 389 2.256 -6.932 -4.260 1.00 0.00 O ATOM 384 CB ASN A 389 0.611 -9.393 -2.804 1.00 0.00 C ATOM 385 CG ASN A 389 0.579 -10.816 -2.237 1.00 0.00 C ATOM 386 OD1 ASN A 389 1.394 -11.164 -1.406 1.00 0.00 O ATOM 387 ND2 ASN A 389 -0.333 -11.663 -2.649 1.00 0.00 N ATOM 0 H ASN A 389 1.789 -7.163 -1.807 1.00 0.00 H new ATOM 0 HA ASN A 389 2.757 -9.772 -3.012 1.00 0.00 H new ATOM 0 HB2 ASN A 389 0.080 -8.714 -2.137 1.00 0.00 H new ATOM 0 HB3 ASN A 389 0.097 -9.363 -3.765 1.00 0.00 H new ATOM 0 HD21 ASN A 389 -0.357 -12.610 -2.272 1.00 0.00 H new ATOM 0 HD22 ASN A 389 -1.019 -11.374 -3.347 1.00 0.00 H new ATOM 394 N PRO A 390 2.297 -8.853 -5.388 1.00 0.00 N ATOM 395 CA PRO A 390 2.436 -8.174 -6.699 1.00 0.00 C ATOM 396 C PRO A 390 1.122 -7.469 -7.084 1.00 0.00 C ATOM 397 O PRO A 390 1.146 -6.433 -7.701 1.00 0.00 O ATOM 398 CB PRO A 390 2.750 -9.312 -7.669 1.00 0.00 C ATOM 399 CG PRO A 390 2.190 -10.537 -7.023 1.00 0.00 C ATOM 400 CD PRO A 390 2.264 -10.320 -5.533 1.00 0.00 C ATOM 0 HA PRO A 390 3.205 -7.401 -6.698 1.00 0.00 H new ATOM 0 HB2 PRO A 390 2.295 -9.137 -8.644 1.00 0.00 H new ATOM 0 HB3 PRO A 390 3.824 -9.407 -7.831 1.00 0.00 H new ATOM 0 HG2 PRO A 390 1.160 -10.703 -7.338 1.00 0.00 H new ATOM 0 HG3 PRO A 390 2.758 -11.421 -7.313 1.00 0.00 H new ATOM 0 HD2 PRO A 390 1.403 -10.752 -5.023 1.00 0.00 H new ATOM 0 HD3 PRO A 390 3.153 -10.784 -5.106 1.00 0.00 H new ATOM 408 N VAL A 391 -0.019 -8.023 -6.720 1.00 0.00 N ATOM 409 CA VAL A 391 -1.331 -7.370 -7.056 1.00 0.00 C ATOM 410 C VAL A 391 -1.866 -6.528 -5.871 1.00 0.00 C ATOM 411 O VAL A 391 -2.658 -5.627 -6.069 1.00 0.00 O ATOM 412 CB VAL A 391 -2.294 -8.517 -7.384 1.00 0.00 C ATOM 413 CG1 VAL A 391 -3.660 -7.953 -7.784 1.00 0.00 C ATOM 414 CG2 VAL A 391 -1.729 -9.338 -8.547 1.00 0.00 C ATOM 0 H VAL A 391 -0.096 -8.900 -6.204 1.00 0.00 H new ATOM 0 HA VAL A 391 -1.222 -6.680 -7.893 1.00 0.00 H new ATOM 0 HB VAL A 391 -2.408 -9.150 -6.504 1.00 0.00 H new ATOM 0 HG11 VAL A 391 -4.339 -8.774 -8.016 1.00 0.00 H new ATOM 0 HG12 VAL A 391 -4.067 -7.367 -6.960 1.00 0.00 H new ATOM 0 HG13 VAL A 391 -3.548 -7.316 -8.662 1.00 0.00 H new ATOM 0 HG21 VAL A 391 -2.412 -10.154 -8.782 1.00 0.00 H new ATOM 0 HG22 VAL A 391 -1.614 -8.698 -9.422 1.00 0.00 H new ATOM 0 HG23 VAL A 391 -0.758 -9.747 -8.266 1.00 0.00 H new ATOM 424 N HIS A 392 -1.460 -6.812 -4.646 1.00 0.00 N ATOM 425 CA HIS A 392 -1.975 -6.017 -3.466 1.00 0.00 C ATOM 426 C HIS A 392 -1.553 -4.542 -3.593 1.00 0.00 C ATOM 427 O HIS A 392 -2.312 -3.652 -3.253 1.00 0.00 O ATOM 428 CB HIS A 392 -1.339 -6.681 -2.225 1.00 0.00 C ATOM 429 CG HIS A 392 -1.532 -5.841 -0.992 1.00 0.00 C ATOM 430 ND1 HIS A 392 -2.622 -5.986 -0.150 1.00 0.00 N ATOM 431 CD2 HIS A 392 -0.750 -4.866 -0.437 1.00 0.00 C ATOM 432 CE1 HIS A 392 -2.463 -5.119 0.867 1.00 0.00 C ATOM 433 NE2 HIS A 392 -1.335 -4.412 0.740 1.00 0.00 N ATOM 0 H HIS A 392 -0.800 -7.553 -4.412 1.00 0.00 H new ATOM 0 HA HIS A 392 -3.063 -6.020 -3.404 1.00 0.00 H new ATOM 0 HB2 HIS A 392 -1.782 -7.665 -2.070 1.00 0.00 H new ATOM 0 HB3 HIS A 392 -0.274 -6.835 -2.399 1.00 0.00 H new ATOM 0 HD1 HIS A 392 -3.402 -6.631 -0.277 1.00 0.00 H new ATOM 0 HD2 HIS A 392 0.180 -4.504 -0.850 1.00 0.00 H new ATOM 0 HE1 HIS A 392 -3.160 -5.008 1.684 1.00 0.00 H new ATOM 441 N PHE A 393 -0.369 -4.269 -4.105 1.00 0.00 N ATOM 442 CA PHE A 393 0.048 -2.833 -4.274 1.00 0.00 C ATOM 443 C PHE A 393 -0.942 -2.117 -5.208 1.00 0.00 C ATOM 444 O PHE A 393 -1.114 -0.916 -5.123 1.00 0.00 O ATOM 445 CB PHE A 393 1.456 -2.845 -4.891 1.00 0.00 C ATOM 446 CG PHE A 393 2.483 -3.008 -3.796 1.00 0.00 C ATOM 447 CD1 PHE A 393 2.606 -2.017 -2.785 1.00 0.00 C ATOM 448 CD2 PHE A 393 3.323 -4.154 -3.774 1.00 0.00 C ATOM 449 CE1 PHE A 393 3.570 -2.171 -1.752 1.00 0.00 C ATOM 450 CE2 PHE A 393 4.288 -4.308 -2.743 1.00 0.00 C ATOM 451 CZ PHE A 393 4.411 -3.317 -1.732 1.00 0.00 C ATOM 0 H PHE A 393 0.314 -4.963 -4.408 1.00 0.00 H new ATOM 0 HA PHE A 393 0.053 -2.305 -3.321 1.00 0.00 H new ATOM 0 HB2 PHE A 393 1.543 -3.660 -5.610 1.00 0.00 H new ATOM 0 HB3 PHE A 393 1.634 -1.918 -5.436 1.00 0.00 H new ATOM 0 HD1 PHE A 393 1.967 -1.147 -2.802 1.00 0.00 H new ATOM 0 HD2 PHE A 393 3.228 -4.908 -4.541 1.00 0.00 H new ATOM 0 HE1 PHE A 393 3.663 -1.418 -0.983 1.00 0.00 H new ATOM 0 HE2 PHE A 393 4.928 -5.178 -2.728 1.00 0.00 H new ATOM 0 HZ PHE A 393 5.144 -3.435 -0.948 1.00 0.00 H new ATOM 461 N GLN A 394 -1.602 -2.842 -6.098 1.00 0.00 N ATOM 462 CA GLN A 394 -2.582 -2.164 -7.019 1.00 0.00 C ATOM 463 C GLN A 394 -3.893 -1.852 -6.274 1.00 0.00 C ATOM 464 O GLN A 394 -4.579 -0.903 -6.606 1.00 0.00 O ATOM 465 CB GLN A 394 -2.859 -3.132 -8.179 1.00 0.00 C ATOM 466 CG GLN A 394 -1.708 -3.071 -9.187 1.00 0.00 C ATOM 467 CD GLN A 394 -0.755 -4.239 -8.931 1.00 0.00 C ATOM 468 OE1 GLN A 394 -0.883 -5.280 -9.544 1.00 0.00 O ATOM 469 NE2 GLN A 394 0.211 -4.111 -8.057 1.00 0.00 N ATOM 0 H GLN A 394 -1.506 -3.850 -6.223 1.00 0.00 H new ATOM 0 HA GLN A 394 -2.173 -1.222 -7.384 1.00 0.00 H new ATOM 0 HB2 GLN A 394 -2.969 -4.148 -7.799 1.00 0.00 H new ATOM 0 HB3 GLN A 394 -3.798 -2.870 -8.668 1.00 0.00 H new ATOM 0 HG2 GLN A 394 -2.096 -3.119 -10.204 1.00 0.00 H new ATOM 0 HG3 GLN A 394 -1.176 -2.124 -9.093 1.00 0.00 H new ATOM 0 HE21 GLN A 394 0.320 -3.238 -7.541 1.00 0.00 H new ATOM 0 HE22 GLN A 394 0.855 -4.885 -7.892 1.00 0.00 H new ATOM 478 N HIS A 395 -4.267 -2.653 -5.295 1.00 0.00 N ATOM 479 CA HIS A 395 -5.556 -2.383 -4.565 1.00 0.00 C ATOM 480 C HIS A 395 -5.372 -1.307 -3.481 1.00 0.00 C ATOM 481 O HIS A 395 -6.274 -0.530 -3.230 1.00 0.00 O ATOM 482 CB HIS A 395 -5.959 -3.704 -3.906 1.00 0.00 C ATOM 483 CG HIS A 395 -6.342 -4.701 -4.964 1.00 0.00 C ATOM 484 ND1 HIS A 395 -7.143 -5.798 -4.690 1.00 0.00 N ATOM 485 CD2 HIS A 395 -6.040 -4.781 -6.301 1.00 0.00 C ATOM 486 CE1 HIS A 395 -7.295 -6.485 -5.837 1.00 0.00 C ATOM 487 NE2 HIS A 395 -6.644 -5.909 -6.849 1.00 0.00 N ATOM 0 H HIS A 395 -3.745 -3.469 -4.974 1.00 0.00 H new ATOM 0 HA HIS A 395 -6.314 -2.018 -5.258 1.00 0.00 H new ATOM 0 HB2 HIS A 395 -5.133 -4.091 -3.310 1.00 0.00 H new ATOM 0 HB3 HIS A 395 -6.795 -3.542 -3.225 1.00 0.00 H new ATOM 0 HD2 HIS A 395 -5.428 -4.077 -6.844 1.00 0.00 H new ATOM 0 HE1 HIS A 395 -7.874 -7.392 -5.927 1.00 0.00 H new ATOM 0 HE2 HIS A 395 -6.599 -6.227 -7.817 1.00 0.00 H new ATOM 496 N PHE A 396 -4.232 -1.262 -2.818 1.00 0.00 N ATOM 497 CA PHE A 396 -4.045 -0.238 -1.737 1.00 0.00 C ATOM 498 C PHE A 396 -2.742 0.550 -1.936 1.00 0.00 C ATOM 499 O PHE A 396 -1.719 -0.013 -2.279 1.00 0.00 O ATOM 500 CB PHE A 396 -3.973 -1.036 -0.428 1.00 0.00 C ATOM 501 CG PHE A 396 -5.197 -1.910 -0.276 1.00 0.00 C ATOM 502 CD1 PHE A 396 -5.261 -3.157 -0.953 1.00 0.00 C ATOM 503 CD2 PHE A 396 -6.279 -1.488 0.540 1.00 0.00 C ATOM 504 CE1 PHE A 396 -6.407 -3.984 -0.815 1.00 0.00 C ATOM 505 CE2 PHE A 396 -7.427 -2.314 0.679 1.00 0.00 C ATOM 506 CZ PHE A 396 -7.491 -3.563 0.001 1.00 0.00 C ATOM 0 H PHE A 396 -3.437 -1.881 -2.977 1.00 0.00 H new ATOM 0 HA PHE A 396 -4.858 0.489 -1.740 1.00 0.00 H new ATOM 0 HB2 PHE A 396 -3.074 -1.653 -0.420 1.00 0.00 H new ATOM 0 HB3 PHE A 396 -3.899 -0.353 0.418 1.00 0.00 H new ATOM 0 HD1 PHE A 396 -4.437 -3.477 -1.574 1.00 0.00 H new ATOM 0 HD2 PHE A 396 -6.230 -0.540 1.055 1.00 0.00 H new ATOM 0 HE1 PHE A 396 -6.454 -4.932 -1.330 1.00 0.00 H new ATOM 0 HE2 PHE A 396 -8.251 -1.994 1.299 1.00 0.00 H new ATOM 0 HZ PHE A 396 -8.363 -4.191 0.107 1.00 0.00 H new ATOM 516 N SER A 397 -2.768 1.849 -1.706 1.00 0.00 N ATOM 517 CA SER A 397 -1.523 2.664 -1.864 1.00 0.00 C ATOM 518 C SER A 397 -0.685 2.562 -0.590 1.00 0.00 C ATOM 519 O SER A 397 -1.147 2.065 0.420 1.00 0.00 O ATOM 520 CB SER A 397 -1.970 4.121 -2.078 1.00 0.00 C ATOM 521 OG SER A 397 -1.098 4.748 -3.009 1.00 0.00 O ATOM 0 H SER A 397 -3.595 2.372 -1.418 1.00 0.00 H new ATOM 0 HA SER A 397 -0.921 2.313 -2.702 1.00 0.00 H new ATOM 0 HB2 SER A 397 -2.995 4.148 -2.447 1.00 0.00 H new ATOM 0 HB3 SER A 397 -1.958 4.660 -1.131 1.00 0.00 H new ATOM 0 HG SER A 397 -1.576 4.905 -3.850 1.00 0.00 H new ATOM 527 N HIS A 398 0.538 3.031 -0.623 1.00 0.00 N ATOM 528 CA HIS A 398 1.398 2.967 0.591 1.00 0.00 C ATOM 529 C HIS A 398 2.290 4.214 0.649 1.00 0.00 C ATOM 530 O HIS A 398 2.599 4.785 -0.380 1.00 0.00 O ATOM 531 CB HIS A 398 2.253 1.706 0.416 1.00 0.00 C ATOM 532 CG HIS A 398 1.385 0.471 0.437 1.00 0.00 C ATOM 533 ND1 HIS A 398 0.810 -0.050 -0.713 1.00 0.00 N ATOM 534 CD2 HIS A 398 1.017 -0.377 1.456 1.00 0.00 C ATOM 535 CE1 HIS A 398 0.137 -1.165 -0.365 1.00 0.00 C ATOM 536 NE2 HIS A 398 0.231 -1.412 0.947 1.00 0.00 N ATOM 0 H HIS A 398 0.975 3.455 -1.441 1.00 0.00 H new ATOM 0 HA HIS A 398 0.817 2.932 1.513 1.00 0.00 H new ATOM 0 HB2 HIS A 398 2.799 1.758 -0.526 1.00 0.00 H new ATOM 0 HB3 HIS A 398 2.995 1.649 1.212 1.00 0.00 H new ATOM 0 HD1 HIS A 398 0.883 0.340 -1.653 1.00 0.00 H new ATOM 0 HD2 HIS A 398 1.294 -0.260 2.493 1.00 0.00 H new ATOM 0 HE1 HIS A 398 -0.411 -1.784 -1.060 1.00 0.00 H new ATOM 544 N PRO A 399 2.700 4.599 1.835 1.00 0.00 N ATOM 545 CA PRO A 399 3.585 5.784 1.973 1.00 0.00 C ATOM 546 C PRO A 399 4.888 5.507 1.211 1.00 0.00 C ATOM 547 O PRO A 399 5.409 4.408 1.263 1.00 0.00 O ATOM 548 CB PRO A 399 3.794 5.898 3.488 1.00 0.00 C ATOM 549 CG PRO A 399 3.526 4.524 3.999 1.00 0.00 C ATOM 550 CD PRO A 399 2.419 3.985 3.136 1.00 0.00 C ATOM 0 HA PRO A 399 3.185 6.712 1.564 1.00 0.00 H new ATOM 0 HB2 PRO A 399 4.807 6.221 3.727 1.00 0.00 H new ATOM 0 HB3 PRO A 399 3.115 6.627 3.930 1.00 0.00 H new ATOM 0 HG2 PRO A 399 4.417 3.899 3.931 1.00 0.00 H new ATOM 0 HG3 PRO A 399 3.231 4.546 5.048 1.00 0.00 H new ATOM 0 HD2 PRO A 399 2.439 2.896 3.083 1.00 0.00 H new ATOM 0 HD3 PRO A 399 1.436 4.267 3.514 1.00 0.00 H new ATOM 558 N GLY A 400 5.403 6.469 0.477 1.00 0.00 N ATOM 559 CA GLY A 400 6.647 6.213 -0.305 1.00 0.00 C ATOM 560 C GLY A 400 6.315 5.961 -1.798 1.00 0.00 C ATOM 561 O GLY A 400 7.214 5.776 -2.595 1.00 0.00 O ATOM 0 H GLY A 400 5.017 7.409 0.389 1.00 0.00 H new ATOM 0 HA2 GLY A 400 7.320 7.066 -0.216 1.00 0.00 H new ATOM 0 HA3 GLY A 400 7.170 5.350 0.107 1.00 0.00 H new ATOM 565 N ASP A 401 5.048 5.972 -2.201 1.00 0.00 N ATOM 566 CA ASP A 401 4.720 5.758 -3.638 1.00 0.00 C ATOM 567 C ASP A 401 4.167 7.061 -4.209 1.00 0.00 C ATOM 568 O ASP A 401 3.912 7.998 -3.475 1.00 0.00 O ATOM 569 CB ASP A 401 3.645 4.666 -3.663 1.00 0.00 C ATOM 570 CG ASP A 401 3.840 3.782 -4.897 1.00 0.00 C ATOM 571 OD1 ASP A 401 3.887 4.325 -5.988 1.00 0.00 O ATOM 572 OD2 ASP A 401 3.935 2.576 -4.731 1.00 0.00 O ATOM 0 H ASP A 401 4.245 6.120 -1.590 1.00 0.00 H new ATOM 0 HA ASP A 401 5.588 5.465 -4.229 1.00 0.00 H new ATOM 0 HB2 ASP A 401 3.705 4.062 -2.758 1.00 0.00 H new ATOM 0 HB3 ASP A 401 2.653 5.118 -3.680 1.00 0.00 H new ATOM 577 N SER A 402 3.970 7.138 -5.502 1.00 0.00 N ATOM 578 CA SER A 402 3.419 8.406 -6.083 1.00 0.00 C ATOM 579 C SER A 402 1.908 8.520 -5.827 1.00 0.00 C ATOM 580 O SER A 402 1.367 9.610 -5.853 1.00 0.00 O ATOM 581 CB SER A 402 3.699 8.356 -7.591 1.00 0.00 C ATOM 582 OG SER A 402 4.019 7.026 -7.973 1.00 0.00 O ATOM 0 H SER A 402 4.162 6.393 -6.172 1.00 0.00 H new ATOM 0 HA SER A 402 3.887 9.275 -5.620 1.00 0.00 H new ATOM 0 HB2 SER A 402 2.827 8.704 -8.145 1.00 0.00 H new ATOM 0 HB3 SER A 402 4.523 9.025 -7.840 1.00 0.00 H new ATOM 0 HG SER A 402 4.196 6.996 -8.936 1.00 0.00 H new ATOM 588 N ASP A 403 1.200 7.420 -5.622 1.00 0.00 N ATOM 589 CA ASP A 403 -0.289 7.530 -5.419 1.00 0.00 C ATOM 590 C ASP A 403 -0.716 7.485 -3.935 1.00 0.00 C ATOM 591 O ASP A 403 -1.899 7.518 -3.658 1.00 0.00 O ATOM 592 CB ASP A 403 -0.894 6.333 -6.168 1.00 0.00 C ATOM 593 CG ASP A 403 -0.501 6.394 -7.647 1.00 0.00 C ATOM 594 OD1 ASP A 403 0.602 5.977 -7.965 1.00 0.00 O ATOM 595 OD2 ASP A 403 -1.309 6.857 -8.433 1.00 0.00 O ATOM 0 H ASP A 403 1.580 6.474 -5.587 1.00 0.00 H new ATOM 0 HA ASP A 403 -0.637 8.494 -5.789 1.00 0.00 H new ATOM 0 HB2 ASP A 403 -0.542 5.401 -5.727 1.00 0.00 H new ATOM 0 HB3 ASP A 403 -1.980 6.342 -6.070 1.00 0.00 H new ATOM 600 N TYR A 404 0.199 7.395 -2.975 1.00 0.00 N ATOM 601 CA TYR A 404 -0.232 7.341 -1.516 1.00 0.00 C ATOM 602 C TYR A 404 -1.272 8.431 -1.211 1.00 0.00 C ATOM 603 O TYR A 404 -1.143 9.558 -1.649 1.00 0.00 O ATOM 604 CB TYR A 404 1.035 7.573 -0.677 1.00 0.00 C ATOM 605 CG TYR A 404 0.723 7.369 0.790 1.00 0.00 C ATOM 606 CD1 TYR A 404 0.079 6.179 1.226 1.00 0.00 C ATOM 607 CD2 TYR A 404 1.079 8.370 1.734 1.00 0.00 C ATOM 608 CE1 TYR A 404 -0.209 5.991 2.606 1.00 0.00 C ATOM 609 CE2 TYR A 404 0.792 8.181 3.112 1.00 0.00 C ATOM 610 CZ TYR A 404 0.149 6.993 3.548 1.00 0.00 C ATOM 611 OH TYR A 404 -0.130 6.810 4.888 1.00 0.00 O ATOM 0 H TYR A 404 1.206 7.357 -3.132 1.00 0.00 H new ATOM 0 HA TYR A 404 -0.694 6.381 -1.286 1.00 0.00 H new ATOM 0 HB2 TYR A 404 1.821 6.885 -0.990 1.00 0.00 H new ATOM 0 HB3 TYR A 404 1.411 8.583 -0.841 1.00 0.00 H new ATOM 0 HD1 TYR A 404 -0.192 5.418 0.509 1.00 0.00 H new ATOM 0 HD2 TYR A 404 1.568 9.275 1.403 1.00 0.00 H new ATOM 0 HE1 TYR A 404 -0.699 5.088 2.938 1.00 0.00 H new ATOM 0 HE2 TYR A 404 1.063 8.942 3.829 1.00 0.00 H new ATOM 0 HH TYR A 404 0.181 7.588 5.396 1.00 0.00 H new ATOM 621 N GLY A 405 -2.310 8.096 -0.473 1.00 0.00 N ATOM 622 CA GLY A 405 -3.361 9.120 -0.160 1.00 0.00 C ATOM 623 C GLY A 405 -4.423 8.539 0.791 1.00 0.00 C ATOM 624 O GLY A 405 -5.544 8.285 0.393 1.00 0.00 O ATOM 0 H GLY A 405 -2.472 7.169 -0.079 1.00 0.00 H new ATOM 0 HA2 GLY A 405 -2.898 9.995 0.296 1.00 0.00 H new ATOM 0 HA3 GLY A 405 -3.836 9.454 -1.082 1.00 0.00 H new ATOM 628 N GLY A 406 -4.081 8.349 2.050 1.00 0.00 N ATOM 629 CA GLY A 406 -5.095 7.808 3.013 1.00 0.00 C ATOM 630 C GLY A 406 -4.616 7.875 4.469 1.00 0.00 C ATOM 631 O GLY A 406 -4.655 6.888 5.180 1.00 0.00 O ATOM 0 H GLY A 406 -3.160 8.542 2.444 1.00 0.00 H new ATOM 0 HA2 GLY A 406 -6.023 8.371 2.913 1.00 0.00 H new ATOM 0 HA3 GLY A 406 -5.320 6.773 2.755 1.00 0.00 H new ATOM 635 N VAL A 407 -4.184 9.021 4.936 1.00 0.00 N ATOM 636 CA VAL A 407 -3.728 9.110 6.369 1.00 0.00 C ATOM 637 C VAL A 407 -4.943 9.054 7.317 1.00 0.00 C ATOM 638 O VAL A 407 -5.324 10.054 7.898 1.00 0.00 O ATOM 639 CB VAL A 407 -3.000 10.456 6.488 1.00 0.00 C ATOM 640 CG1 VAL A 407 -2.605 10.731 7.944 1.00 0.00 C ATOM 641 CG2 VAL A 407 -1.744 10.411 5.622 1.00 0.00 C ATOM 0 H VAL A 407 -4.126 9.888 4.402 1.00 0.00 H new ATOM 0 HA VAL A 407 -3.075 8.282 6.643 1.00 0.00 H new ATOM 0 HB VAL A 407 -3.664 11.253 6.154 1.00 0.00 H new ATOM 0 HG11 VAL A 407 -2.090 11.690 8.006 1.00 0.00 H new ATOM 0 HG12 VAL A 407 -3.500 10.759 8.565 1.00 0.00 H new ATOM 0 HG13 VAL A 407 -1.943 9.940 8.297 1.00 0.00 H new ATOM 0 HG21 VAL A 407 -1.216 11.362 5.697 1.00 0.00 H new ATOM 0 HG22 VAL A 407 -1.094 9.607 5.966 1.00 0.00 H new ATOM 0 HG23 VAL A 407 -2.024 10.232 4.584 1.00 0.00 H new ATOM 651 N GLN A 408 -5.548 7.895 7.486 1.00 0.00 N ATOM 652 CA GLN A 408 -6.725 7.793 8.408 1.00 0.00 C ATOM 653 C GLN A 408 -6.621 6.527 9.281 1.00 0.00 C ATOM 654 O GLN A 408 -7.233 5.515 8.996 1.00 0.00 O ATOM 655 CB GLN A 408 -7.965 7.745 7.501 1.00 0.00 C ATOM 656 CG GLN A 408 -7.927 6.506 6.593 1.00 0.00 C ATOM 657 CD GLN A 408 -8.033 6.929 5.122 1.00 0.00 C ATOM 658 OE1 GLN A 408 -8.768 7.839 4.797 1.00 0.00 O ATOM 659 NE2 GLN A 408 -7.323 6.310 4.214 1.00 0.00 N ATOM 0 H GLN A 408 -5.278 7.025 7.028 1.00 0.00 H new ATOM 0 HA GLN A 408 -6.775 8.637 9.096 1.00 0.00 H new ATOM 0 HB2 GLN A 408 -8.868 7.727 8.112 1.00 0.00 H new ATOM 0 HB3 GLN A 408 -8.011 8.647 6.891 1.00 0.00 H new ATOM 0 HG2 GLN A 408 -7.001 5.954 6.755 1.00 0.00 H new ATOM 0 HG3 GLN A 408 -8.747 5.834 6.847 1.00 0.00 H new ATOM 0 HE21 GLN A 408 -6.705 5.545 4.484 1.00 0.00 H new ATOM 0 HE22 GLN A 408 -7.388 6.592 3.236 1.00 0.00 H new ATOM 668 N ILE A 409 -5.855 6.575 10.353 1.00 0.00 N ATOM 669 CA ILE A 409 -5.728 5.371 11.234 1.00 0.00 C ATOM 670 C ILE A 409 -6.489 5.605 12.548 1.00 0.00 C ATOM 671 O ILE A 409 -5.891 5.812 13.588 1.00 0.00 O ATOM 672 CB ILE A 409 -4.222 5.206 11.488 1.00 0.00 C ATOM 673 CG1 ILE A 409 -3.497 4.998 10.150 1.00 0.00 C ATOM 674 CG2 ILE A 409 -3.982 3.993 12.391 1.00 0.00 C ATOM 675 CD1 ILE A 409 -2.148 5.716 10.180 1.00 0.00 C ATOM 0 H ILE A 409 -5.319 7.390 10.650 1.00 0.00 H new ATOM 0 HA ILE A 409 -6.150 4.475 10.778 1.00 0.00 H new ATOM 0 HB ILE A 409 -3.838 6.102 11.976 1.00 0.00 H new ATOM 0 HG12 ILE A 409 -3.350 3.934 9.966 1.00 0.00 H new ATOM 0 HG13 ILE A 409 -4.106 5.381 9.331 1.00 0.00 H new ATOM 0 HG21 ILE A 409 -2.913 3.878 12.570 1.00 0.00 H new ATOM 0 HG22 ILE A 409 -4.495 4.140 13.341 1.00 0.00 H new ATOM 0 HG23 ILE A 409 -4.367 3.096 11.906 1.00 0.00 H new ATOM 0 HD11 ILE A 409 -1.635 5.567 9.230 1.00 0.00 H new ATOM 0 HD12 ILE A 409 -2.307 6.782 10.344 1.00 0.00 H new ATOM 0 HD13 ILE A 409 -1.539 5.312 10.988 1.00 0.00 H new ATOM 687 N VAL A 410 -7.805 5.567 12.509 1.00 0.00 N ATOM 688 CA VAL A 410 -8.602 5.775 13.754 1.00 0.00 C ATOM 689 C VAL A 410 -9.372 4.487 14.070 1.00 0.00 C ATOM 690 O VAL A 410 -10.545 4.373 13.762 1.00 0.00 O ATOM 691 CB VAL A 410 -9.572 6.918 13.434 1.00 0.00 C ATOM 692 CG1 VAL A 410 -10.378 7.263 14.687 1.00 0.00 C ATOM 693 CG2 VAL A 410 -8.791 8.157 12.977 1.00 0.00 C ATOM 0 H VAL A 410 -8.356 5.401 11.667 1.00 0.00 H new ATOM 0 HA VAL A 410 -7.982 6.016 14.617 1.00 0.00 H new ATOM 0 HB VAL A 410 -10.244 6.604 12.636 1.00 0.00 H new ATOM 0 HG11 VAL A 410 -11.069 8.076 14.463 1.00 0.00 H new ATOM 0 HG12 VAL A 410 -10.941 6.387 15.010 1.00 0.00 H new ATOM 0 HG13 VAL A 410 -9.700 7.572 15.482 1.00 0.00 H new ATOM 0 HG21 VAL A 410 -9.488 8.964 12.752 1.00 0.00 H new ATOM 0 HG22 VAL A 410 -8.114 8.473 13.770 1.00 0.00 H new ATOM 0 HG23 VAL A 410 -8.215 7.915 12.084 1.00 0.00 H new ATOM 703 N GLY A 411 -8.720 3.504 14.656 1.00 0.00 N ATOM 704 CA GLY A 411 -9.418 2.222 14.955 1.00 0.00 C ATOM 705 C GLY A 411 -9.507 1.410 13.657 1.00 0.00 C ATOM 706 O GLY A 411 -10.584 1.086 13.195 1.00 0.00 O ATOM 0 H GLY A 411 -7.740 3.541 14.936 1.00 0.00 H new ATOM 0 HA2 GLY A 411 -8.875 1.662 15.717 1.00 0.00 H new ATOM 0 HA3 GLY A 411 -10.415 2.415 15.351 1.00 0.00 H new ATOM 710 N GLN A 412 -8.375 1.096 13.052 1.00 0.00 N ATOM 711 CA GLN A 412 -8.386 0.316 11.757 1.00 0.00 C ATOM 712 C GLN A 412 -9.309 -0.915 11.859 1.00 0.00 C ATOM 713 O GLN A 412 -10.316 -0.993 11.181 1.00 0.00 O ATOM 714 CB GLN A 412 -6.937 -0.142 11.511 1.00 0.00 C ATOM 715 CG GLN A 412 -6.057 1.072 11.201 1.00 0.00 C ATOM 716 CD GLN A 412 -4.665 0.865 11.811 1.00 0.00 C ATOM 717 OE1 GLN A 412 -3.724 0.564 11.104 1.00 0.00 O ATOM 718 NE2 GLN A 412 -4.485 1.012 13.102 1.00 0.00 N ATOM 0 H GLN A 412 -7.448 1.344 13.396 1.00 0.00 H new ATOM 0 HA GLN A 412 -8.760 0.936 10.942 1.00 0.00 H new ATOM 0 HB2 GLN A 412 -6.557 -0.664 12.389 1.00 0.00 H new ATOM 0 HB3 GLN A 412 -6.905 -0.848 10.681 1.00 0.00 H new ATOM 0 HG2 GLN A 412 -5.976 1.210 10.123 1.00 0.00 H new ATOM 0 HG3 GLN A 412 -6.512 1.977 11.605 1.00 0.00 H new ATOM 0 HE21 GLN A 412 -5.271 1.265 13.701 1.00 0.00 H new ATOM 0 HE22 GLN A 412 -3.559 0.874 13.507 1.00 0.00 H new ATOM 727 N ASP A 413 -8.977 -1.876 12.700 1.00 0.00 N ATOM 728 CA ASP A 413 -9.844 -3.087 12.834 1.00 0.00 C ATOM 729 C ASP A 413 -9.739 -3.678 14.253 1.00 0.00 C ATOM 730 O ASP A 413 -9.789 -4.881 14.426 1.00 0.00 O ATOM 731 CB ASP A 413 -9.300 -4.076 11.802 1.00 0.00 C ATOM 732 CG ASP A 413 -9.533 -3.524 10.395 1.00 0.00 C ATOM 733 OD1 ASP A 413 -10.684 -3.350 10.030 1.00 0.00 O ATOM 734 OD2 ASP A 413 -8.555 -3.286 9.705 1.00 0.00 O ATOM 0 H ASP A 413 -8.147 -1.869 13.293 1.00 0.00 H new ATOM 0 HA ASP A 413 -10.896 -2.856 12.670 1.00 0.00 H new ATOM 0 HB2 ASP A 413 -8.235 -4.242 11.967 1.00 0.00 H new ATOM 0 HB3 ASP A 413 -9.794 -5.041 11.912 1.00 0.00 H new ATOM 739 N GLU A 414 -9.598 -2.848 15.270 1.00 0.00 N ATOM 740 CA GLU A 414 -9.495 -3.382 16.663 1.00 0.00 C ATOM 741 C GLU A 414 -10.252 -2.466 17.637 1.00 0.00 C ATOM 742 O GLU A 414 -9.700 -2.012 18.622 1.00 0.00 O ATOM 743 CB GLU A 414 -7.998 -3.384 16.975 1.00 0.00 C ATOM 744 CG GLU A 414 -7.384 -4.710 16.526 1.00 0.00 C ATOM 745 CD GLU A 414 -7.377 -5.694 17.698 1.00 0.00 C ATOM 746 OE1 GLU A 414 -8.388 -6.343 17.907 1.00 0.00 O ATOM 747 OE2 GLU A 414 -6.360 -5.781 18.366 1.00 0.00 O ATOM 0 H GLU A 414 -9.551 -1.832 15.190 1.00 0.00 H new ATOM 0 HA GLU A 414 -9.931 -4.376 16.761 1.00 0.00 H new ATOM 0 HB2 GLU A 414 -7.509 -2.554 16.466 1.00 0.00 H new ATOM 0 HB3 GLU A 414 -7.838 -3.241 18.044 1.00 0.00 H new ATOM 0 HG2 GLU A 414 -7.954 -5.123 15.694 1.00 0.00 H new ATOM 0 HG3 GLU A 414 -6.368 -4.549 16.167 1.00 0.00 H new ATOM 754 N THR A 415 -11.515 -2.196 17.376 1.00 0.00 N ATOM 755 CA THR A 415 -12.297 -1.316 18.296 1.00 0.00 C ATOM 756 C THR A 415 -13.657 -1.954 18.611 1.00 0.00 C ATOM 757 O THR A 415 -14.695 -1.399 18.298 1.00 0.00 O ATOM 758 CB THR A 415 -12.480 0.009 17.549 1.00 0.00 C ATOM 759 OG1 THR A 415 -13.276 0.885 18.335 1.00 0.00 O ATOM 760 CG2 THR A 415 -13.169 -0.232 16.202 1.00 0.00 C ATOM 0 H THR A 415 -12.030 -2.547 16.569 1.00 0.00 H new ATOM 0 HA THR A 415 -11.786 -1.168 19.247 1.00 0.00 H new ATOM 0 HB THR A 415 -11.501 0.455 17.371 1.00 0.00 H new ATOM 0 HG1 THR A 415 -14.087 0.418 18.626 1.00 0.00 H new ATOM 0 HG21 THR A 415 -13.293 0.718 15.682 1.00 0.00 H new ATOM 0 HG22 THR A 415 -12.559 -0.901 15.596 1.00 0.00 H new ATOM 0 HG23 THR A 415 -14.147 -0.684 16.369 1.00 0.00 H new ATOM 768 N ASP A 416 -13.665 -3.111 19.241 1.00 0.00 N ATOM 769 CA ASP A 416 -14.970 -3.763 19.582 1.00 0.00 C ATOM 770 C ASP A 416 -15.277 -3.569 21.075 1.00 0.00 C ATOM 771 O ASP A 416 -15.774 -4.469 21.728 1.00 0.00 O ATOM 772 CB ASP A 416 -14.789 -5.251 19.257 1.00 0.00 C ATOM 773 CG ASP A 416 -16.161 -5.916 19.129 1.00 0.00 C ATOM 774 OD1 ASP A 416 -16.852 -5.620 18.169 1.00 0.00 O ATOM 775 OD2 ASP A 416 -16.496 -6.708 19.993 1.00 0.00 O ATOM 0 H ASP A 416 -12.832 -3.625 19.530 1.00 0.00 H new ATOM 0 HA ASP A 416 -15.800 -3.333 19.022 1.00 0.00 H new ATOM 0 HB2 ASP A 416 -14.229 -5.366 18.329 1.00 0.00 H new ATOM 0 HB3 ASP A 416 -14.209 -5.738 20.041 1.00 0.00 H new ATOM 780 N ASP A 417 -14.988 -2.404 21.625 1.00 0.00 N ATOM 781 CA ASP A 417 -15.270 -2.170 23.074 1.00 0.00 C ATOM 782 C ASP A 417 -15.875 -0.777 23.278 1.00 0.00 C ATOM 783 O ASP A 417 -15.799 -0.278 24.389 1.00 0.00 O ATOM 784 CB ASP A 417 -13.910 -2.282 23.773 1.00 0.00 C ATOM 785 CG ASP A 417 -12.934 -1.252 23.191 1.00 0.00 C ATOM 786 OD1 ASP A 417 -12.469 -1.466 22.083 1.00 0.00 O ATOM 787 OD2 ASP A 417 -12.669 -0.269 23.864 1.00 0.00 O ATOM 0 H ASP A 417 -14.572 -1.615 21.131 1.00 0.00 H new ATOM 0 HA ASP A 417 -15.987 -2.886 23.475 1.00 0.00 H new ATOM 0 HB2 ASP A 417 -14.028 -2.118 24.844 1.00 0.00 H new ATOM 0 HB3 ASP A 417 -13.509 -3.287 23.646 1.00 0.00 H new TER 792 ASP A 417 HETATM 793 ZN ZN A1001 -0.619 -3.031 2.012 1.00 0.00 ZN