USER MOD reduce.3.24.130724 H: found=0, std=0, add=372, rem=0, adj=11 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 -130:sc=-0.000151 USER MOD Set 1.2: A 408 GLN : amide:sc= -1.64 K(o=-1.6,f=-0.63) USER MOD Single : A 367 SER OG : rot 180:sc= 0 USER MOD Single : A 369 SER OG : rot 38:sc= 0.29 USER MOD Single : A 372 ASN : amide:sc= -0.826 X(o=-0.83,f=-0.83) 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 -159:sc= -0.106 (180deg=-1.15) USER MOD Single : A 381 TYR OH : rot 180:sc= -0.235 USER MOD Single : A 384 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 386 TYR OH : rot 180:sc= 0 USER MOD Single : A 388 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 389 ASN : amide:sc= 0 K(o=0,f=-2.6!) USER MOD Single : A 394 GLN : amide:sc= -1.79 K(o=-1.8,f=-2.3!) USER MOD Single : A 395 HIS : no HD1:sc= -0.0111 X(o=-0.011,f=0) USER MOD Single : A 397 SER OG : rot 163:sc= -0.495 USER MOD Single : A 402 SER OG : rot 180:sc= 0 USER MOD Single : A 404 TYR OH : rot 180:sc= 0 USER MOD Single : A 412 GLN : amide:sc= -2.31! C(o=-2.3!,f=-2.2!) USER MOD Single : A 415 THR OG1 : rot 180:sc= 0.0403 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 363 -18.357 3.007 -24.561 1.00 0.00 N ATOM 2 CA GLY A 363 -16.992 3.504 -24.898 1.00 0.00 C ATOM 3 C GLY A 363 -15.940 2.591 -24.253 1.00 0.00 C ATOM 4 O GLY A 363 -16.248 1.480 -23.871 1.00 0.00 O ATOM 0 HA2 GLY A 363 -16.858 3.524 -25.979 1.00 0.00 H new ATOM 0 HA3 GLY A 363 -16.868 4.527 -24.543 1.00 0.00 H new ATOM 10 N PRO A 364 -14.722 3.082 -24.149 1.00 0.00 N ATOM 11 CA PRO A 364 -13.638 2.272 -23.539 1.00 0.00 C ATOM 12 C PRO A 364 -13.835 2.172 -22.017 1.00 0.00 C ATOM 13 O PRO A 364 -13.285 2.957 -21.268 1.00 0.00 O ATOM 14 CB PRO A 364 -12.370 3.055 -23.872 1.00 0.00 C ATOM 15 CG PRO A 364 -12.825 4.466 -24.068 1.00 0.00 C ATOM 16 CD PRO A 364 -14.241 4.407 -24.577 1.00 0.00 C ATOM 0 HA PRO A 364 -13.609 1.248 -23.911 1.00 0.00 H new ATOM 0 HB2 PRO A 364 -11.640 2.984 -23.066 1.00 0.00 H new ATOM 0 HB3 PRO A 364 -11.891 2.667 -24.771 1.00 0.00 H new ATOM 0 HG2 PRO A 364 -12.775 5.021 -23.131 1.00 0.00 H new ATOM 0 HG3 PRO A 364 -12.181 4.983 -24.779 1.00 0.00 H new ATOM 0 HD2 PRO A 364 -14.850 5.207 -24.156 1.00 0.00 H new ATOM 0 HD3 PRO A 364 -14.280 4.514 -25.661 1.00 0.00 H new ATOM 24 N LEU A 365 -14.613 1.215 -21.553 1.00 0.00 N ATOM 25 CA LEU A 365 -14.835 1.078 -20.082 1.00 0.00 C ATOM 26 C LEU A 365 -14.300 -0.275 -19.589 1.00 0.00 C ATOM 27 O LEU A 365 -13.729 -1.033 -20.351 1.00 0.00 O ATOM 28 CB LEU A 365 -16.351 1.154 -19.901 1.00 0.00 C ATOM 29 CG LEU A 365 -16.758 2.596 -19.594 1.00 0.00 C ATOM 30 CD1 LEU A 365 -16.978 3.356 -20.903 1.00 0.00 C ATOM 31 CD2 LEU A 365 -18.054 2.596 -18.780 1.00 0.00 C ATOM 0 H LEU A 365 -15.099 0.529 -22.131 1.00 0.00 H new ATOM 0 HA LEU A 365 -14.318 1.850 -19.512 1.00 0.00 H new ATOM 0 HB2 LEU A 365 -16.853 0.808 -20.804 1.00 0.00 H new ATOM 0 HB3 LEU A 365 -16.664 0.496 -19.090 1.00 0.00 H new ATOM 0 HG LEU A 365 -15.968 3.082 -19.022 1.00 0.00 H new ATOM 0 HD11 LEU A 365 -17.268 4.383 -20.683 1.00 0.00 H new ATOM 0 HD12 LEU A 365 -16.055 3.356 -21.483 1.00 0.00 H new ATOM 0 HD13 LEU A 365 -17.768 2.871 -21.477 1.00 0.00 H new ATOM 0 HD21 LEU A 365 -18.346 3.623 -18.560 1.00 0.00 H new ATOM 0 HD22 LEU A 365 -18.843 2.109 -19.353 1.00 0.00 H new ATOM 0 HD23 LEU A 365 -17.897 2.056 -17.846 1.00 0.00 H new ATOM 43 N GLY A 366 -14.477 -0.588 -18.320 1.00 0.00 N ATOM 44 CA GLY A 366 -13.975 -1.891 -17.794 1.00 0.00 C ATOM 45 C GLY A 366 -12.614 -1.682 -17.116 1.00 0.00 C ATOM 46 O GLY A 366 -12.408 -0.701 -16.427 1.00 0.00 O ATOM 0 H GLY A 366 -14.946 0.004 -17.635 1.00 0.00 H new ATOM 0 HA2 GLY A 366 -14.688 -2.306 -17.081 1.00 0.00 H new ATOM 0 HA3 GLY A 366 -13.881 -2.611 -18.607 1.00 0.00 H new ATOM 50 N SER A 367 -11.675 -2.593 -17.302 1.00 0.00 N ATOM 51 CA SER A 367 -10.325 -2.441 -16.665 1.00 0.00 C ATOM 52 C SER A 367 -10.459 -2.200 -15.150 1.00 0.00 C ATOM 53 O SER A 367 -10.426 -1.070 -14.697 1.00 0.00 O ATOM 54 CB SER A 367 -9.688 -1.228 -17.347 1.00 0.00 C ATOM 55 OG SER A 367 -9.017 -1.651 -18.527 1.00 0.00 O ATOM 0 H SER A 367 -11.790 -3.433 -17.868 1.00 0.00 H new ATOM 0 HA SER A 367 -9.720 -3.340 -16.786 1.00 0.00 H new ATOM 0 HB2 SER A 367 -10.453 -0.492 -17.594 1.00 0.00 H new ATOM 0 HB3 SER A 367 -8.985 -0.743 -16.669 1.00 0.00 H new ATOM 0 HG SER A 367 -8.609 -0.876 -18.967 1.00 0.00 H new ATOM 61 N GLY A 368 -10.609 -3.247 -14.364 1.00 0.00 N ATOM 62 CA GLY A 368 -10.741 -3.062 -12.889 1.00 0.00 C ATOM 63 C GLY A 368 -9.349 -3.099 -12.244 1.00 0.00 C ATOM 64 O GLY A 368 -9.064 -3.957 -11.430 1.00 0.00 O ATOM 0 H GLY A 368 -10.645 -4.215 -14.685 1.00 0.00 H new ATOM 0 HA2 GLY A 368 -11.229 -2.112 -12.673 1.00 0.00 H new ATOM 0 HA3 GLY A 368 -11.370 -3.846 -12.468 1.00 0.00 H new ATOM 68 N SER A 369 -8.477 -2.175 -12.597 1.00 0.00 N ATOM 69 CA SER A 369 -7.109 -2.169 -11.997 1.00 0.00 C ATOM 70 C SER A 369 -6.746 -0.756 -11.517 1.00 0.00 C ATOM 71 O SER A 369 -6.891 0.205 -12.250 1.00 0.00 O ATOM 72 CB SER A 369 -6.179 -2.604 -13.128 1.00 0.00 C ATOM 73 OG SER A 369 -6.386 -1.763 -14.256 1.00 0.00 O ATOM 0 H SER A 369 -8.658 -1.431 -13.271 1.00 0.00 H new ATOM 0 HA SER A 369 -7.035 -2.828 -11.132 1.00 0.00 H new ATOM 0 HB2 SER A 369 -5.140 -2.546 -12.803 1.00 0.00 H new ATOM 0 HB3 SER A 369 -6.373 -3.643 -13.394 1.00 0.00 H new ATOM 0 HG SER A 369 -6.538 -0.843 -13.955 1.00 0.00 H new ATOM 79 N GLU A 370 -6.273 -0.618 -10.295 1.00 0.00 N ATOM 80 CA GLU A 370 -5.904 0.736 -9.783 1.00 0.00 C ATOM 81 C GLU A 370 -4.395 0.796 -9.497 1.00 0.00 C ATOM 82 O GLU A 370 -3.984 1.173 -8.417 1.00 0.00 O ATOM 83 CB GLU A 370 -6.707 0.906 -8.493 1.00 0.00 C ATOM 84 CG GLU A 370 -8.110 1.417 -8.826 1.00 0.00 C ATOM 85 CD GLU A 370 -9.004 1.300 -7.590 1.00 0.00 C ATOM 86 OE1 GLU A 370 -8.615 1.810 -6.552 1.00 0.00 O ATOM 87 OE2 GLU A 370 -10.061 0.701 -7.702 1.00 0.00 O ATOM 0 H GLU A 370 -6.129 -1.384 -9.637 1.00 0.00 H new ATOM 0 HA GLU A 370 -6.123 1.526 -10.501 1.00 0.00 H new ATOM 0 HB2 GLU A 370 -6.771 -0.045 -7.965 1.00 0.00 H new ATOM 0 HB3 GLU A 370 -6.202 1.607 -7.828 1.00 0.00 H new ATOM 0 HG2 GLU A 370 -8.062 2.455 -9.156 1.00 0.00 H new ATOM 0 HG3 GLU A 370 -8.532 0.841 -9.649 1.00 0.00 H new ATOM 94 N GLY A 371 -3.562 0.429 -10.450 1.00 0.00 N ATOM 95 CA GLY A 371 -2.089 0.471 -10.213 1.00 0.00 C ATOM 96 C GLY A 371 -1.386 1.088 -11.430 1.00 0.00 C ATOM 97 O GLY A 371 -0.354 0.607 -11.860 1.00 0.00 O ATOM 0 H GLY A 371 -3.843 0.105 -11.375 1.00 0.00 H new ATOM 0 HA2 GLY A 371 -1.871 1.057 -9.320 1.00 0.00 H new ATOM 0 HA3 GLY A 371 -1.711 -0.536 -10.034 1.00 0.00 H new ATOM 101 N ASN A 372 -1.932 2.148 -11.993 1.00 0.00 N ATOM 102 CA ASN A 372 -1.283 2.781 -13.181 1.00 0.00 C ATOM 103 C ASN A 372 -1.483 4.306 -13.153 1.00 0.00 C ATOM 104 O ASN A 372 -0.525 5.056 -13.133 1.00 0.00 O ATOM 105 CB ASN A 372 -1.988 2.169 -14.392 1.00 0.00 C ATOM 106 CG ASN A 372 -1.600 0.690 -14.515 1.00 0.00 C ATOM 107 OD1 ASN A 372 -2.405 -0.180 -14.249 1.00 0.00 O ATOM 108 ND2 ASN A 372 -0.394 0.363 -14.910 1.00 0.00 N ATOM 0 H ASN A 372 -2.793 2.595 -11.679 1.00 0.00 H new ATOM 0 HA ASN A 372 -0.207 2.605 -13.203 1.00 0.00 H new ATOM 0 HB2 ASN A 372 -3.068 2.265 -14.284 1.00 0.00 H new ATOM 0 HB3 ASN A 372 -1.709 2.706 -15.299 1.00 0.00 H new ATOM 0 HD21 ASN A 372 -0.134 -0.620 -14.993 1.00 0.00 H new ATOM 0 HD22 ASN A 372 0.284 1.091 -15.134 1.00 0.00 H new ATOM 115 N LYS A 373 -2.716 4.770 -13.153 1.00 0.00 N ATOM 116 CA LYS A 373 -2.961 6.245 -13.128 1.00 0.00 C ATOM 117 C LYS A 373 -4.163 6.563 -12.229 1.00 0.00 C ATOM 118 O LYS A 373 -5.094 7.227 -12.647 1.00 0.00 O ATOM 119 CB LYS A 373 -3.254 6.625 -14.582 1.00 0.00 C ATOM 120 CG LYS A 373 -2.523 7.923 -14.930 1.00 0.00 C ATOM 121 CD LYS A 373 -1.122 7.592 -15.449 1.00 0.00 C ATOM 122 CE LYS A 373 -0.195 8.790 -15.222 1.00 0.00 C ATOM 123 NZ LYS A 373 1.163 8.295 -15.582 1.00 0.00 N ATOM 0 H LYS A 373 -3.556 4.191 -13.169 1.00 0.00 H new ATOM 0 HA LYS A 373 -2.112 6.801 -12.730 1.00 0.00 H new ATOM 0 HB2 LYS A 373 -2.933 5.825 -15.249 1.00 0.00 H new ATOM 0 HB3 LYS A 373 -4.327 6.750 -14.727 1.00 0.00 H new ATOM 0 HG2 LYS A 373 -3.081 8.477 -15.685 1.00 0.00 H new ATOM 0 HG3 LYS A 373 -2.455 8.563 -14.050 1.00 0.00 H new ATOM 0 HD2 LYS A 373 -0.731 6.714 -14.935 1.00 0.00 H new ATOM 0 HD3 LYS A 373 -1.164 7.348 -16.510 1.00 0.00 H new ATOM 0 HE2 LYS A 373 -0.485 9.637 -15.843 1.00 0.00 H new ATOM 0 HE3 LYS A 373 -0.231 9.127 -14.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 373 1.857 9.059 -15.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 373 1.414 7.493 -14.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 373 1.168 7.987 -16.575 1.00 0.00 H new ATOM 137 N VAL A 374 -4.152 6.101 -10.996 1.00 0.00 N ATOM 138 CA VAL A 374 -5.296 6.385 -10.084 1.00 0.00 C ATOM 139 C VAL A 374 -4.786 6.582 -8.648 1.00 0.00 C ATOM 140 O VAL A 374 -3.690 6.170 -8.316 1.00 0.00 O ATOM 141 CB VAL A 374 -6.198 5.147 -10.172 1.00 0.00 C ATOM 142 CG1 VAL A 374 -7.430 5.343 -9.286 1.00 0.00 C ATOM 143 CG2 VAL A 374 -6.649 4.939 -11.621 1.00 0.00 C ATOM 0 H VAL A 374 -3.401 5.543 -10.590 1.00 0.00 H new ATOM 0 HA VAL A 374 -5.831 7.293 -10.361 1.00 0.00 H new ATOM 0 HB VAL A 374 -5.639 4.274 -9.834 1.00 0.00 H new ATOM 0 HG11 VAL A 374 -8.069 4.462 -9.351 1.00 0.00 H new ATOM 0 HG12 VAL A 374 -7.116 5.488 -8.252 1.00 0.00 H new ATOM 0 HG13 VAL A 374 -7.985 6.219 -9.623 1.00 0.00 H new ATOM 0 HG21 VAL A 374 -7.289 4.059 -11.680 1.00 0.00 H new ATOM 0 HG22 VAL A 374 -7.203 5.815 -11.959 1.00 0.00 H new ATOM 0 HG23 VAL A 374 -5.775 4.795 -12.257 1.00 0.00 H new ATOM 153 N LYS A 375 -5.571 7.200 -7.792 1.00 0.00 N ATOM 154 CA LYS A 375 -5.112 7.404 -6.374 1.00 0.00 C ATOM 155 C LYS A 375 -5.476 6.177 -5.531 1.00 0.00 C ATOM 156 O LYS A 375 -6.533 6.131 -4.931 1.00 0.00 O ATOM 157 CB LYS A 375 -5.852 8.640 -5.847 1.00 0.00 C ATOM 158 CG LYS A 375 -5.180 9.908 -6.373 1.00 0.00 C ATOM 159 CD LYS A 375 -5.603 10.144 -7.825 1.00 0.00 C ATOM 160 CE LYS A 375 -5.187 11.553 -8.260 1.00 0.00 C ATOM 161 NZ LYS A 375 -4.012 11.350 -9.154 1.00 0.00 N ATOM 0 H LYS A 375 -6.497 7.568 -8.008 1.00 0.00 H new ATOM 0 HA LYS A 375 -4.032 7.541 -6.322 1.00 0.00 H new ATOM 0 HB2 LYS A 375 -6.895 8.613 -6.162 1.00 0.00 H new ATOM 0 HB3 LYS A 375 -5.848 8.640 -4.757 1.00 0.00 H new ATOM 0 HG2 LYS A 375 -5.460 10.763 -5.758 1.00 0.00 H new ATOM 0 HG3 LYS A 375 -4.096 9.811 -6.310 1.00 0.00 H new ATOM 0 HD2 LYS A 375 -5.140 9.401 -8.474 1.00 0.00 H new ATOM 0 HD3 LYS A 375 -6.682 10.026 -7.924 1.00 0.00 H new ATOM 0 HE2 LYS A 375 -5.998 12.060 -8.783 1.00 0.00 H new ATOM 0 HE3 LYS A 375 -4.927 12.171 -7.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 375 -3.670 12.272 -9.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 375 -3.254 10.872 -8.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 375 -4.291 10.765 -9.967 1.00 0.00 H new ATOM 175 N ARG A 376 -4.613 5.179 -5.475 1.00 0.00 N ATOM 176 CA ARG A 376 -4.930 3.954 -4.658 1.00 0.00 C ATOM 177 C ARG A 376 -5.349 4.345 -3.235 1.00 0.00 C ATOM 178 O ARG A 376 -4.882 5.327 -2.690 1.00 0.00 O ATOM 179 CB ARG A 376 -3.651 3.107 -4.598 1.00 0.00 C ATOM 180 CG ARG A 376 -3.706 2.020 -5.668 1.00 0.00 C ATOM 181 CD ARG A 376 -2.400 1.216 -5.637 1.00 0.00 C ATOM 182 NE ARG A 376 -1.315 2.208 -5.976 1.00 0.00 N ATOM 183 CZ ARG A 376 -0.142 2.200 -5.359 1.00 0.00 C ATOM 184 NH1 ARG A 376 0.173 1.280 -4.479 1.00 0.00 N ATOM 185 NH2 ARG A 376 0.745 3.116 -5.654 1.00 0.00 N ATOM 0 H ARG A 376 -3.713 5.160 -5.954 1.00 0.00 H new ATOM 0 HA ARG A 376 -5.753 3.402 -5.111 1.00 0.00 H new ATOM 0 HB2 ARG A 376 -2.777 3.739 -4.752 1.00 0.00 H new ATOM 0 HB3 ARG A 376 -3.548 2.655 -3.611 1.00 0.00 H new ATOM 0 HG2 ARG A 376 -4.557 1.362 -5.491 1.00 0.00 H new ATOM 0 HG3 ARG A 376 -3.848 2.468 -6.652 1.00 0.00 H new ATOM 0 HD2 ARG A 376 -2.234 0.772 -4.655 1.00 0.00 H new ATOM 0 HD3 ARG A 376 -2.424 0.398 -6.357 1.00 0.00 H new ATOM 0 HE ARG A 376 -1.489 2.905 -6.701 1.00 0.00 H new ATOM 0 HH11 ARG A 376 -0.494 0.542 -4.252 1.00 0.00 H new ATOM 0 HH12 ARG A 376 1.085 1.302 -4.022 1.00 0.00 H new ATOM 0 HH21 ARG A 376 0.531 3.827 -6.353 1.00 0.00 H new ATOM 0 HH22 ARG A 376 1.651 3.119 -5.185 1.00 0.00 H new ATOM 199 N THR A 377 -6.211 3.567 -2.629 1.00 0.00 N ATOM 200 CA THR A 377 -6.642 3.880 -1.230 1.00 0.00 C ATOM 201 C THR A 377 -5.514 3.435 -0.285 1.00 0.00 C ATOM 202 O THR A 377 -5.003 2.339 -0.417 1.00 0.00 O ATOM 203 CB THR A 377 -7.951 3.076 -1.020 1.00 0.00 C ATOM 204 OG1 THR A 377 -9.031 3.793 -1.602 1.00 0.00 O ATOM 205 CG2 THR A 377 -8.247 2.852 0.470 1.00 0.00 C ATOM 0 H THR A 377 -6.633 2.734 -3.039 1.00 0.00 H new ATOM 0 HA THR A 377 -6.826 4.937 -1.038 1.00 0.00 H new ATOM 0 HB THR A 377 -7.830 2.101 -1.493 1.00 0.00 H new ATOM 0 HG1 THR A 377 -9.863 3.291 -1.475 1.00 0.00 H new ATOM 0 HG21 THR A 377 -9.172 2.285 0.576 1.00 0.00 H new ATOM 0 HG22 THR A 377 -7.427 2.296 0.924 1.00 0.00 H new ATOM 0 HG23 THR A 377 -8.353 3.815 0.969 1.00 0.00 H new ATOM 213 N SER A 378 -5.098 4.272 0.651 1.00 0.00 N ATOM 214 CA SER A 378 -3.969 3.864 1.579 1.00 0.00 C ATOM 215 C SER A 378 -4.244 2.476 2.183 1.00 0.00 C ATOM 216 O SER A 378 -5.385 2.067 2.295 1.00 0.00 O ATOM 217 CB SER A 378 -3.913 4.917 2.695 1.00 0.00 C ATOM 218 OG SER A 378 -3.329 4.340 3.859 1.00 0.00 O ATOM 0 H SER A 378 -5.481 5.203 0.813 1.00 0.00 H new ATOM 0 HA SER A 378 -3.024 3.808 1.038 1.00 0.00 H new ATOM 0 HB2 SER A 378 -3.328 5.778 2.370 1.00 0.00 H new ATOM 0 HB3 SER A 378 -4.916 5.279 2.919 1.00 0.00 H new ATOM 0 HG SER A 378 -3.898 4.524 4.636 1.00 0.00 H new ATOM 224 N CYS A 379 -3.220 1.745 2.572 1.00 0.00 N ATOM 225 CA CYS A 379 -3.465 0.380 3.165 1.00 0.00 C ATOM 226 C CYS A 379 -3.890 0.500 4.639 1.00 0.00 C ATOM 227 O CYS A 379 -3.627 1.499 5.282 1.00 0.00 O ATOM 228 CB CYS A 379 -2.132 -0.374 3.061 1.00 0.00 C ATOM 229 SG CYS A 379 -2.439 -2.154 2.983 1.00 0.00 S ATOM 0 H CYS A 379 -2.241 2.026 2.507 1.00 0.00 H new ATOM 0 HA CYS A 379 -4.265 -0.141 2.638 1.00 0.00 H new ATOM 0 HB2 CYS A 379 -1.589 -0.050 2.173 1.00 0.00 H new ATOM 0 HB3 CYS A 379 -1.504 -0.141 3.921 1.00 0.00 H new ATOM 234 N MET A 380 -4.533 -0.516 5.185 1.00 0.00 N ATOM 235 CA MET A 380 -4.955 -0.442 6.633 1.00 0.00 C ATOM 236 C MET A 380 -3.729 -0.263 7.550 1.00 0.00 C ATOM 237 O MET A 380 -3.846 0.285 8.631 1.00 0.00 O ATOM 238 CB MET A 380 -5.655 -1.770 6.967 1.00 0.00 C ATOM 239 CG MET A 380 -6.893 -1.942 6.084 1.00 0.00 C ATOM 240 SD MET A 380 -7.976 -3.201 6.807 1.00 0.00 S ATOM 241 CE MET A 380 -6.758 -4.540 6.880 1.00 0.00 C ATOM 0 H MET A 380 -4.781 -1.379 4.701 1.00 0.00 H new ATOM 0 HA MET A 380 -5.617 0.409 6.790 1.00 0.00 H new ATOM 0 HB2 MET A 380 -4.968 -2.602 6.812 1.00 0.00 H new ATOM 0 HB3 MET A 380 -5.942 -1.785 8.018 1.00 0.00 H new ATOM 0 HG2 MET A 380 -7.425 -0.995 5.997 1.00 0.00 H new ATOM 0 HG3 MET A 380 -6.597 -2.236 5.077 1.00 0.00 H new ATOM 0 HE1 MET A 380 -7.274 -5.498 6.938 1.00 0.00 H new ATOM 0 HE2 MET A 380 -6.137 -4.516 5.985 1.00 0.00 H new ATOM 0 HE3 MET A 380 -6.129 -4.412 7.761 1.00 0.00 H new ATOM 251 N TYR A 381 -2.554 -0.707 7.136 1.00 0.00 N ATOM 252 CA TYR A 381 -1.349 -0.533 8.009 1.00 0.00 C ATOM 253 C TYR A 381 -0.667 0.822 7.751 1.00 0.00 C ATOM 254 O TYR A 381 0.079 1.296 8.589 1.00 0.00 O ATOM 255 CB TYR A 381 -0.402 -1.691 7.675 1.00 0.00 C ATOM 256 CG TYR A 381 -0.950 -2.960 8.282 1.00 0.00 C ATOM 257 CD1 TYR A 381 -0.684 -3.267 9.644 1.00 0.00 C ATOM 258 CD2 TYR A 381 -1.742 -3.839 7.497 1.00 0.00 C ATOM 259 CE1 TYR A 381 -1.211 -4.455 10.219 1.00 0.00 C ATOM 260 CE2 TYR A 381 -2.267 -5.028 8.071 1.00 0.00 C ATOM 261 CZ TYR A 381 -2.002 -5.334 9.433 1.00 0.00 C ATOM 262 OH TYR A 381 -2.514 -6.488 9.993 1.00 0.00 O ATOM 0 H TYR A 381 -2.385 -1.174 6.245 1.00 0.00 H new ATOM 0 HA TYR A 381 -1.628 -0.543 9.063 1.00 0.00 H new ATOM 0 HB2 TYR A 381 -0.306 -1.800 6.595 1.00 0.00 H new ATOM 0 HB3 TYR A 381 0.595 -1.487 8.064 1.00 0.00 H new ATOM 0 HD1 TYR A 381 -0.082 -2.598 10.241 1.00 0.00 H new ATOM 0 HD2 TYR A 381 -1.946 -3.604 6.463 1.00 0.00 H new ATOM 0 HE1 TYR A 381 -1.010 -4.689 11.254 1.00 0.00 H new ATOM 0 HE2 TYR A 381 -2.867 -5.698 7.473 1.00 0.00 H new ATOM 0 HH TYR A 381 -3.033 -6.976 9.320 1.00 0.00 H new ATOM 272 N GLY A 382 -0.906 1.466 6.618 1.00 0.00 N ATOM 273 CA GLY A 382 -0.259 2.783 6.363 1.00 0.00 C ATOM 274 C GLY A 382 1.257 2.598 6.235 1.00 0.00 C ATOM 275 O GLY A 382 1.765 2.382 5.155 1.00 0.00 O ATOM 0 H GLY A 382 -1.517 1.130 5.874 1.00 0.00 H new ATOM 0 HA2 GLY A 382 -0.659 3.225 5.451 1.00 0.00 H new ATOM 0 HA3 GLY A 382 -0.483 3.473 7.177 1.00 0.00 H new ATOM 279 N ALA A 383 1.982 2.668 7.329 1.00 0.00 N ATOM 280 CA ALA A 383 3.465 2.489 7.251 1.00 0.00 C ATOM 281 C ALA A 383 3.928 1.127 7.809 1.00 0.00 C ATOM 282 O ALA A 383 5.118 0.878 7.873 1.00 0.00 O ATOM 283 CB ALA A 383 4.048 3.630 8.085 1.00 0.00 C ATOM 0 H ALA A 383 1.612 2.840 8.264 1.00 0.00 H new ATOM 0 HA ALA A 383 3.800 2.507 6.214 1.00 0.00 H new ATOM 0 HB1 ALA A 383 5.136 3.567 8.077 1.00 0.00 H new ATOM 0 HB2 ALA A 383 3.736 4.585 7.663 1.00 0.00 H new ATOM 0 HB3 ALA A 383 3.688 3.552 9.111 1.00 0.00 H new ATOM 289 N ASN A 384 3.035 0.247 8.234 1.00 0.00 N ATOM 290 CA ASN A 384 3.501 -1.060 8.791 1.00 0.00 C ATOM 291 C ASN A 384 2.938 -2.271 8.014 1.00 0.00 C ATOM 292 O ASN A 384 2.854 -3.346 8.566 1.00 0.00 O ATOM 293 CB ASN A 384 2.976 -1.066 10.227 1.00 0.00 C ATOM 294 CG ASN A 384 3.963 -0.326 11.140 1.00 0.00 C ATOM 295 OD1 ASN A 384 4.954 -0.890 11.557 1.00 0.00 O ATOM 296 ND2 ASN A 384 3.737 0.923 11.470 1.00 0.00 N ATOM 0 H ASN A 384 2.024 0.381 8.217 1.00 0.00 H new ATOM 0 HA ASN A 384 4.585 -1.152 8.723 1.00 0.00 H new ATOM 0 HB2 ASN A 384 1.998 -0.587 10.269 1.00 0.00 H new ATOM 0 HB3 ASN A 384 2.844 -2.091 10.572 1.00 0.00 H new ATOM 0 HD21 ASN A 384 4.393 1.417 12.075 1.00 0.00 H new ATOM 0 HD22 ASN A 384 2.906 1.400 11.122 1.00 0.00 H new ATOM 303 N CYS A 385 2.533 -2.118 6.760 1.00 0.00 N ATOM 304 CA CYS A 385 1.966 -3.301 5.991 1.00 0.00 C ATOM 305 C CYS A 385 3.004 -4.449 5.910 1.00 0.00 C ATOM 306 O CYS A 385 3.690 -4.599 4.917 1.00 0.00 O ATOM 307 CB CYS A 385 1.641 -2.772 4.576 1.00 0.00 C ATOM 308 SG CYS A 385 0.785 -4.042 3.608 1.00 0.00 S ATOM 0 H CYS A 385 2.568 -1.241 6.241 1.00 0.00 H new ATOM 0 HA CYS A 385 1.081 -3.705 6.483 1.00 0.00 H new ATOM 0 HB2 CYS A 385 1.019 -1.880 4.648 1.00 0.00 H new ATOM 0 HB3 CYS A 385 2.561 -2.479 4.070 1.00 0.00 H new ATOM 313 N TYR A 386 3.139 -5.240 6.958 1.00 0.00 N ATOM 314 CA TYR A 386 4.154 -6.364 6.953 1.00 0.00 C ATOM 315 C TYR A 386 3.986 -7.298 5.736 1.00 0.00 C ATOM 316 O TYR A 386 4.953 -7.868 5.264 1.00 0.00 O ATOM 317 CB TYR A 386 3.940 -7.156 8.265 1.00 0.00 C ATOM 318 CG TYR A 386 2.594 -7.852 8.241 1.00 0.00 C ATOM 319 CD1 TYR A 386 2.470 -9.126 7.624 1.00 0.00 C ATOM 320 CD2 TYR A 386 1.456 -7.231 8.822 1.00 0.00 C ATOM 321 CE1 TYR A 386 1.210 -9.781 7.590 1.00 0.00 C ATOM 322 CE2 TYR A 386 0.194 -7.885 8.787 1.00 0.00 C ATOM 323 CZ TYR A 386 0.071 -9.160 8.171 1.00 0.00 C ATOM 324 OH TYR A 386 -1.154 -9.794 8.135 1.00 0.00 O ATOM 0 H TYR A 386 2.593 -5.159 7.816 1.00 0.00 H new ATOM 0 HA TYR A 386 5.161 -5.953 6.884 1.00 0.00 H new ATOM 0 HB2 TYR A 386 4.736 -7.891 8.389 1.00 0.00 H new ATOM 0 HB3 TYR A 386 3.994 -6.481 9.119 1.00 0.00 H new ATOM 0 HD1 TYR A 386 3.335 -9.597 7.180 1.00 0.00 H new ATOM 0 HD2 TYR A 386 1.549 -6.262 9.290 1.00 0.00 H new ATOM 0 HE1 TYR A 386 1.117 -10.750 7.123 1.00 0.00 H new ATOM 0 HE2 TYR A 386 -0.671 -7.413 9.229 1.00 0.00 H new ATOM 0 HH TYR A 386 -1.825 -9.234 8.577 1.00 0.00 H new ATOM 334 N ARG A 387 2.782 -7.468 5.224 1.00 0.00 N ATOM 335 CA ARG A 387 2.612 -8.381 4.039 1.00 0.00 C ATOM 336 C ARG A 387 3.090 -7.663 2.769 1.00 0.00 C ATOM 337 O ARG A 387 3.235 -6.454 2.763 1.00 0.00 O ATOM 338 CB ARG A 387 1.116 -8.749 3.954 1.00 0.00 C ATOM 339 CG ARG A 387 0.261 -7.500 3.688 1.00 0.00 C ATOM 340 CD ARG A 387 -0.776 -7.796 2.595 1.00 0.00 C ATOM 341 NE ARG A 387 -2.107 -7.620 3.256 1.00 0.00 N ATOM 342 CZ ARG A 387 -2.623 -8.559 4.036 1.00 0.00 C ATOM 343 NH1 ARG A 387 -1.994 -9.691 4.255 1.00 0.00 N ATOM 344 NH2 ARG A 387 -3.786 -8.362 4.600 1.00 0.00 N ATOM 0 H ARG A 387 1.929 -7.026 5.566 1.00 0.00 H new ATOM 0 HA ARG A 387 3.205 -9.290 4.143 1.00 0.00 H new ATOM 0 HB2 ARG A 387 0.961 -9.478 3.158 1.00 0.00 H new ATOM 0 HB3 ARG A 387 0.799 -9.221 4.884 1.00 0.00 H new ATOM 0 HG2 ARG A 387 -0.242 -7.192 4.604 1.00 0.00 H new ATOM 0 HG3 ARG A 387 0.899 -6.671 3.381 1.00 0.00 H new ATOM 0 HD2 ARG A 387 -0.663 -7.116 1.751 1.00 0.00 H new ATOM 0 HD3 ARG A 387 -0.660 -8.808 2.207 1.00 0.00 H new ATOM 0 HE ARG A 387 -2.629 -6.757 3.103 1.00 0.00 H new ATOM 0 HH11 ARG A 387 -1.087 -9.863 3.821 1.00 0.00 H new ATOM 0 HH12 ARG A 387 -2.412 -10.398 4.860 1.00 0.00 H new ATOM 0 HH21 ARG A 387 -4.290 -7.490 4.438 1.00 0.00 H new ATOM 0 HH22 ARG A 387 -4.189 -9.080 5.202 1.00 0.00 H new ATOM 358 N LYS A 388 3.348 -8.387 1.700 1.00 0.00 N ATOM 359 CA LYS A 388 3.829 -7.713 0.455 1.00 0.00 C ATOM 360 C LYS A 388 3.463 -8.530 -0.797 1.00 0.00 C ATOM 361 O LYS A 388 4.193 -9.415 -1.203 1.00 0.00 O ATOM 362 CB LYS A 388 5.354 -7.603 0.613 1.00 0.00 C ATOM 363 CG LYS A 388 5.980 -8.989 0.825 1.00 0.00 C ATOM 364 CD LYS A 388 7.334 -8.834 1.518 1.00 0.00 C ATOM 365 CE LYS A 388 8.310 -8.120 0.579 1.00 0.00 C ATOM 366 NZ LYS A 388 9.664 -8.475 1.091 1.00 0.00 N ATOM 0 H LYS A 388 3.247 -9.400 1.639 1.00 0.00 H new ATOM 0 HA LYS A 388 3.364 -6.736 0.324 1.00 0.00 H new ATOM 0 HB2 LYS A 388 5.784 -7.136 -0.274 1.00 0.00 H new ATOM 0 HB3 LYS A 388 5.591 -6.958 1.459 1.00 0.00 H new ATOM 0 HG2 LYS A 388 5.319 -9.610 1.429 1.00 0.00 H new ATOM 0 HG3 LYS A 388 6.105 -9.494 -0.133 1.00 0.00 H new ATOM 0 HD2 LYS A 388 7.219 -8.266 2.441 1.00 0.00 H new ATOM 0 HD3 LYS A 388 7.728 -9.812 1.793 1.00 0.00 H new ATOM 0 HE2 LYS A 388 8.179 -8.449 -0.452 1.00 0.00 H new ATOM 0 HE3 LYS A 388 8.153 -7.041 0.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 10.389 -8.022 0.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 9.762 -8.143 2.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 9.787 -9.507 1.061 1.00 0.00 H new ATOM 380 N ASN A 389 2.345 -8.229 -1.422 1.00 0.00 N ATOM 381 CA ASN A 389 1.950 -8.972 -2.653 1.00 0.00 C ATOM 382 C ASN A 389 1.915 -8.002 -3.838 1.00 0.00 C ATOM 383 O ASN A 389 1.691 -6.823 -3.648 1.00 0.00 O ATOM 384 CB ASN A 389 0.550 -9.514 -2.367 1.00 0.00 C ATOM 385 CG ASN A 389 0.659 -10.874 -1.668 1.00 0.00 C ATOM 386 OD1 ASN A 389 1.518 -11.066 -0.830 1.00 0.00 O ATOM 387 ND2 ASN A 389 -0.177 -11.837 -1.974 1.00 0.00 N ATOM 0 H ASN A 389 1.694 -7.501 -1.129 1.00 0.00 H new ATOM 0 HA ASN A 389 2.646 -9.774 -2.900 1.00 0.00 H new ATOM 0 HB2 ASN A 389 -0.001 -8.814 -1.739 1.00 0.00 H new ATOM 0 HB3 ASN A 389 -0.009 -9.615 -3.297 1.00 0.00 H new ATOM 0 HD21 ASN A 389 -0.105 -12.742 -1.509 1.00 0.00 H new ATOM 0 HD22 ASN A 389 -0.900 -11.681 -2.677 1.00 0.00 H new ATOM 394 N PRO A 390 2.126 -8.514 -5.030 1.00 0.00 N ATOM 395 CA PRO A 390 2.104 -7.638 -6.222 1.00 0.00 C ATOM 396 C PRO A 390 0.688 -7.068 -6.456 1.00 0.00 C ATOM 397 O PRO A 390 0.457 -5.900 -6.214 1.00 0.00 O ATOM 398 CB PRO A 390 2.593 -8.548 -7.355 1.00 0.00 C ATOM 399 CG PRO A 390 2.338 -9.949 -6.887 1.00 0.00 C ATOM 400 CD PRO A 390 2.392 -9.922 -5.381 1.00 0.00 C ATOM 0 HA PRO A 390 2.735 -6.754 -6.130 1.00 0.00 H new ATOM 0 HB2 PRO A 390 2.058 -8.341 -8.282 1.00 0.00 H new ATOM 0 HB3 PRO A 390 3.652 -8.389 -7.556 1.00 0.00 H new ATOM 0 HG2 PRO A 390 1.366 -10.301 -7.233 1.00 0.00 H new ATOM 0 HG3 PRO A 390 3.086 -10.633 -7.288 1.00 0.00 H new ATOM 0 HD2 PRO A 390 1.647 -10.588 -4.945 1.00 0.00 H new ATOM 0 HD3 PRO A 390 3.365 -10.247 -5.012 1.00 0.00 H new ATOM 408 N VAL A 391 -0.261 -7.863 -6.916 1.00 0.00 N ATOM 409 CA VAL A 391 -1.665 -7.337 -7.154 1.00 0.00 C ATOM 410 C VAL A 391 -2.165 -6.513 -5.942 1.00 0.00 C ATOM 411 O VAL A 391 -2.939 -5.589 -6.107 1.00 0.00 O ATOM 412 CB VAL A 391 -2.555 -8.577 -7.378 1.00 0.00 C ATOM 413 CG1 VAL A 391 -4.032 -8.170 -7.485 1.00 0.00 C ATOM 414 CG2 VAL A 391 -2.133 -9.275 -8.675 1.00 0.00 C ATOM 0 H VAL A 391 -0.130 -8.850 -7.138 1.00 0.00 H new ATOM 0 HA VAL A 391 -1.692 -6.668 -8.014 1.00 0.00 H new ATOM 0 HB VAL A 391 -2.435 -9.251 -6.530 1.00 0.00 H new ATOM 0 HG11 VAL A 391 -4.644 -9.058 -7.643 1.00 0.00 H new ATOM 0 HG12 VAL A 391 -4.341 -7.676 -6.564 1.00 0.00 H new ATOM 0 HG13 VAL A 391 -4.161 -7.487 -8.324 1.00 0.00 H new ATOM 0 HG21 VAL A 391 -2.760 -10.152 -8.837 1.00 0.00 H new ATOM 0 HG22 VAL A 391 -2.248 -8.587 -9.513 1.00 0.00 H new ATOM 0 HG23 VAL A 391 -1.090 -9.583 -8.600 1.00 0.00 H new ATOM 424 N HIS A 392 -1.711 -6.808 -4.737 1.00 0.00 N ATOM 425 CA HIS A 392 -2.148 -5.995 -3.544 1.00 0.00 C ATOM 426 C HIS A 392 -1.602 -4.555 -3.678 1.00 0.00 C ATOM 427 O HIS A 392 -2.269 -3.604 -3.318 1.00 0.00 O ATOM 428 CB HIS A 392 -1.525 -6.707 -2.318 1.00 0.00 C ATOM 429 CG HIS A 392 -1.642 -5.866 -1.073 1.00 0.00 C ATOM 430 ND1 HIS A 392 -2.704 -5.987 -0.191 1.00 0.00 N ATOM 431 CD2 HIS A 392 -0.821 -4.904 -0.544 1.00 0.00 C ATOM 432 CE1 HIS A 392 -2.492 -5.121 0.817 1.00 0.00 C ATOM 433 NE2 HIS A 392 -1.357 -4.436 0.651 1.00 0.00 N ATOM 0 H HIS A 392 -1.064 -7.568 -4.530 1.00 0.00 H new ATOM 0 HA HIS A 392 -3.232 -5.925 -3.455 1.00 0.00 H new ATOM 0 HB2 HIS A 392 -2.022 -7.664 -2.160 1.00 0.00 H new ATOM 0 HB3 HIS A 392 -0.475 -6.922 -2.516 1.00 0.00 H new ATOM 0 HD1 HIS A 392 -3.500 -6.617 -0.288 1.00 0.00 H new ATOM 0 HD2 HIS A 392 0.102 -4.561 -0.988 1.00 0.00 H new ATOM 0 HE1 HIS A 392 -3.158 -4.995 1.658 1.00 0.00 H new ATOM 441 N PHE A 393 -0.407 -4.390 -4.217 1.00 0.00 N ATOM 442 CA PHE A 393 0.145 -2.999 -4.389 1.00 0.00 C ATOM 443 C PHE A 393 -0.761 -2.190 -5.331 1.00 0.00 C ATOM 444 O PHE A 393 -0.786 -0.977 -5.266 1.00 0.00 O ATOM 445 CB PHE A 393 1.553 -3.137 -4.999 1.00 0.00 C ATOM 446 CG PHE A 393 2.583 -3.099 -3.896 1.00 0.00 C ATOM 447 CD1 PHE A 393 2.823 -1.888 -3.195 1.00 0.00 C ATOM 448 CD2 PHE A 393 3.306 -4.273 -3.554 1.00 0.00 C ATOM 449 CE1 PHE A 393 3.788 -1.850 -2.152 1.00 0.00 C ATOM 450 CE2 PHE A 393 4.271 -4.236 -2.512 1.00 0.00 C ATOM 451 CZ PHE A 393 4.512 -3.023 -1.811 1.00 0.00 C ATOM 0 H PHE A 393 0.199 -5.144 -4.539 1.00 0.00 H new ATOM 0 HA PHE A 393 0.190 -2.479 -3.432 1.00 0.00 H new ATOM 0 HB2 PHE A 393 1.631 -4.073 -5.553 1.00 0.00 H new ATOM 0 HB3 PHE A 393 1.734 -2.330 -5.709 1.00 0.00 H new ATOM 0 HD1 PHE A 393 2.272 -0.996 -3.454 1.00 0.00 H new ATOM 0 HD2 PHE A 393 3.122 -5.194 -4.087 1.00 0.00 H new ATOM 0 HE1 PHE A 393 3.971 -0.929 -1.619 1.00 0.00 H new ATOM 0 HE2 PHE A 393 4.821 -5.129 -2.253 1.00 0.00 H new ATOM 0 HZ PHE A 393 5.246 -2.994 -1.019 1.00 0.00 H new ATOM 461 N GLN A 394 -1.511 -2.841 -6.204 1.00 0.00 N ATOM 462 CA GLN A 394 -2.408 -2.061 -7.130 1.00 0.00 C ATOM 463 C GLN A 394 -3.717 -1.660 -6.425 1.00 0.00 C ATOM 464 O GLN A 394 -4.335 -0.678 -6.795 1.00 0.00 O ATOM 465 CB GLN A 394 -2.723 -2.980 -8.322 1.00 0.00 C ATOM 466 CG GLN A 394 -1.537 -3.001 -9.288 1.00 0.00 C ATOM 467 CD GLN A 394 -0.689 -4.247 -9.023 1.00 0.00 C ATOM 468 OE1 GLN A 394 -0.910 -5.281 -9.621 1.00 0.00 O ATOM 469 NE2 GLN A 394 0.282 -4.199 -8.147 1.00 0.00 N ATOM 0 H GLN A 394 -1.540 -3.855 -6.313 1.00 0.00 H new ATOM 0 HA GLN A 394 -1.914 -1.143 -7.449 1.00 0.00 H new ATOM 0 HB2 GLN A 394 -2.934 -3.989 -7.969 1.00 0.00 H new ATOM 0 HB3 GLN A 394 -3.617 -2.629 -8.837 1.00 0.00 H new ATOM 0 HG2 GLN A 394 -1.893 -3.002 -10.318 1.00 0.00 H new ATOM 0 HG3 GLN A 394 -0.933 -2.103 -9.160 1.00 0.00 H new ATOM 0 HE21 GLN A 394 0.471 -3.333 -7.642 1.00 0.00 H new ATOM 0 HE22 GLN A 394 0.850 -5.028 -7.969 1.00 0.00 H new ATOM 478 N HIS A 395 -4.161 -2.404 -5.432 1.00 0.00 N ATOM 479 CA HIS A 395 -5.450 -2.033 -4.750 1.00 0.00 C ATOM 480 C HIS A 395 -5.207 -1.111 -3.546 1.00 0.00 C ATOM 481 O HIS A 395 -5.981 -0.202 -3.302 1.00 0.00 O ATOM 482 CB HIS A 395 -6.064 -3.348 -4.274 1.00 0.00 C ATOM 483 CG HIS A 395 -6.823 -3.996 -5.401 1.00 0.00 C ATOM 484 ND1 HIS A 395 -8.022 -4.666 -5.200 1.00 0.00 N ATOM 485 CD2 HIS A 395 -6.565 -4.089 -6.746 1.00 0.00 C ATOM 486 CE1 HIS A 395 -8.433 -5.130 -6.396 1.00 0.00 C ATOM 487 NE2 HIS A 395 -7.582 -4.805 -7.371 1.00 0.00 N ATOM 0 H HIS A 395 -3.697 -3.237 -5.070 1.00 0.00 H new ATOM 0 HA HIS A 395 -6.103 -1.492 -5.435 1.00 0.00 H new ATOM 0 HB2 HIS A 395 -5.281 -4.018 -3.919 1.00 0.00 H new ATOM 0 HB3 HIS A 395 -6.732 -3.164 -3.432 1.00 0.00 H new ATOM 0 HD2 HIS A 395 -5.703 -3.670 -7.244 1.00 0.00 H new ATOM 0 HE1 HIS A 395 -9.340 -5.696 -6.547 1.00 0.00 H new ATOM 0 HE2 HIS A 395 -7.660 -5.033 -8.362 1.00 0.00 H new ATOM 496 N PHE A 396 -4.158 -1.332 -2.780 1.00 0.00 N ATOM 497 CA PHE A 396 -3.914 -0.453 -1.591 1.00 0.00 C ATOM 498 C PHE A 396 -2.629 0.362 -1.777 1.00 0.00 C ATOM 499 O PHE A 396 -1.616 -0.166 -2.200 1.00 0.00 O ATOM 500 CB PHE A 396 -3.756 -1.410 -0.405 1.00 0.00 C ATOM 501 CG PHE A 396 -5.012 -2.231 -0.222 1.00 0.00 C ATOM 502 CD1 PHE A 396 -5.268 -3.341 -1.070 1.00 0.00 C ATOM 503 CD2 PHE A 396 -5.933 -1.899 0.810 1.00 0.00 C ATOM 504 CE1 PHE A 396 -6.444 -4.119 -0.890 1.00 0.00 C ATOM 505 CE2 PHE A 396 -7.108 -2.677 0.991 1.00 0.00 C ATOM 506 CZ PHE A 396 -7.363 -3.787 0.140 1.00 0.00 C ATOM 0 H PHE A 396 -3.472 -2.072 -2.926 1.00 0.00 H new ATOM 0 HA PHE A 396 -4.728 0.257 -1.444 1.00 0.00 H new ATOM 0 HB2 PHE A 396 -2.904 -2.069 -0.572 1.00 0.00 H new ATOM 0 HB3 PHE A 396 -3.548 -0.844 0.503 1.00 0.00 H new ATOM 0 HD1 PHE A 396 -4.568 -3.594 -1.853 1.00 0.00 H new ATOM 0 HD2 PHE A 396 -5.739 -1.055 1.456 1.00 0.00 H new ATOM 0 HE1 PHE A 396 -6.638 -4.962 -1.536 1.00 0.00 H new ATOM 0 HE2 PHE A 396 -7.807 -2.425 1.775 1.00 0.00 H new ATOM 0 HZ PHE A 396 -8.256 -4.378 0.277 1.00 0.00 H new ATOM 516 N SER A 397 -2.654 1.643 -1.468 1.00 0.00 N ATOM 517 CA SER A 397 -1.421 2.467 -1.637 1.00 0.00 C ATOM 518 C SER A 397 -0.583 2.458 -0.354 1.00 0.00 C ATOM 519 O SER A 397 -1.042 2.056 0.699 1.00 0.00 O ATOM 520 CB SER A 397 -1.884 3.892 -1.975 1.00 0.00 C ATOM 521 OG SER A 397 -1.201 4.340 -3.139 1.00 0.00 O ATOM 0 H SER A 397 -3.468 2.143 -1.111 1.00 0.00 H new ATOM 0 HA SER A 397 -0.790 2.065 -2.430 1.00 0.00 H new ATOM 0 HB2 SER A 397 -2.961 3.908 -2.142 1.00 0.00 H new ATOM 0 HB3 SER A 397 -1.681 4.561 -1.139 1.00 0.00 H new ATOM 0 HG SER A 397 -1.671 5.112 -3.517 1.00 0.00 H new ATOM 527 N HIS A 398 0.651 2.891 -0.447 1.00 0.00 N ATOM 528 CA HIS A 398 1.540 2.902 0.746 1.00 0.00 C ATOM 529 C HIS A 398 2.419 4.156 0.724 1.00 0.00 C ATOM 530 O HIS A 398 2.608 4.745 -0.320 1.00 0.00 O ATOM 531 CB HIS A 398 2.409 1.638 0.631 1.00 0.00 C ATOM 532 CG HIS A 398 1.549 0.398 0.543 1.00 0.00 C ATOM 533 ND1 HIS A 398 1.115 -0.118 -0.671 1.00 0.00 N ATOM 534 CD2 HIS A 398 1.063 -0.454 1.506 1.00 0.00 C ATOM 535 CE1 HIS A 398 0.403 -1.235 -0.411 1.00 0.00 C ATOM 536 NE2 HIS A 398 0.342 -1.484 0.905 1.00 0.00 N ATOM 0 H HIS A 398 1.079 3.238 -1.305 1.00 0.00 H new ATOM 0 HA HIS A 398 0.974 2.913 1.677 1.00 0.00 H new ATOM 0 HB2 HIS A 398 3.045 1.708 -0.252 1.00 0.00 H new ATOM 0 HB3 HIS A 398 3.070 1.566 1.495 1.00 0.00 H new ATOM 0 HD1 HIS A 398 1.301 0.276 -1.593 1.00 0.00 H new ATOM 0 HD2 HIS A 398 1.217 -0.342 2.569 1.00 0.00 H new ATOM 0 HE1 HIS A 398 -0.060 -1.851 -1.168 1.00 0.00 H new ATOM 544 N PRO A 399 2.945 4.530 1.871 1.00 0.00 N ATOM 545 CA PRO A 399 3.817 5.731 1.944 1.00 0.00 C ATOM 546 C PRO A 399 5.033 5.515 1.034 1.00 0.00 C ATOM 547 O PRO A 399 5.551 4.417 0.947 1.00 0.00 O ATOM 548 CB PRO A 399 4.197 5.807 3.426 1.00 0.00 C ATOM 549 CG PRO A 399 4.020 4.412 3.915 1.00 0.00 C ATOM 550 CD PRO A 399 2.819 3.886 3.181 1.00 0.00 C ATOM 0 HA PRO A 399 3.350 6.657 1.609 1.00 0.00 H new ATOM 0 HB2 PRO A 399 5.224 6.149 3.558 1.00 0.00 H new ATOM 0 HB3 PRO A 399 3.557 6.504 3.967 1.00 0.00 H new ATOM 0 HG2 PRO A 399 4.903 3.808 3.709 1.00 0.00 H new ATOM 0 HG3 PRO A 399 3.863 4.390 4.993 1.00 0.00 H new ATOM 0 HD2 PRO A 399 2.835 2.799 3.103 1.00 0.00 H new ATOM 0 HD3 PRO A 399 1.888 4.156 3.679 1.00 0.00 H new ATOM 558 N GLY A 400 5.470 6.532 0.327 1.00 0.00 N ATOM 559 CA GLY A 400 6.618 6.344 -0.602 1.00 0.00 C ATOM 560 C GLY A 400 6.111 6.048 -2.034 1.00 0.00 C ATOM 561 O GLY A 400 6.907 5.896 -2.942 1.00 0.00 O ATOM 0 H GLY A 400 5.081 7.475 0.356 1.00 0.00 H new ATOM 0 HA2 GLY A 400 7.240 7.239 -0.607 1.00 0.00 H new ATOM 0 HA3 GLY A 400 7.245 5.523 -0.254 1.00 0.00 H new ATOM 565 N ASP A 401 4.802 5.990 -2.267 1.00 0.00 N ATOM 566 CA ASP A 401 4.303 5.737 -3.649 1.00 0.00 C ATOM 567 C ASP A 401 3.742 7.044 -4.208 1.00 0.00 C ATOM 568 O ASP A 401 3.213 7.854 -3.469 1.00 0.00 O ATOM 569 CB ASP A 401 3.197 4.688 -3.517 1.00 0.00 C ATOM 570 CG ASP A 401 3.819 3.290 -3.485 1.00 0.00 C ATOM 571 OD1 ASP A 401 4.498 2.945 -4.438 1.00 0.00 O ATOM 572 OD2 ASP A 401 3.607 2.590 -2.508 1.00 0.00 O ATOM 0 H ASP A 401 4.078 6.108 -1.558 1.00 0.00 H new ATOM 0 HA ASP A 401 5.086 5.385 -4.320 1.00 0.00 H new ATOM 0 HB2 ASP A 401 2.622 4.863 -2.607 1.00 0.00 H new ATOM 0 HB3 ASP A 401 2.503 4.769 -4.353 1.00 0.00 H new ATOM 577 N SER A 402 3.860 7.273 -5.494 1.00 0.00 N ATOM 578 CA SER A 402 3.334 8.562 -6.065 1.00 0.00 C ATOM 579 C SER A 402 1.845 8.772 -5.733 1.00 0.00 C ATOM 580 O SER A 402 1.379 9.898 -5.734 1.00 0.00 O ATOM 581 CB SER A 402 3.530 8.486 -7.586 1.00 0.00 C ATOM 582 OG SER A 402 4.873 8.831 -7.900 1.00 0.00 O ATOM 0 H SER A 402 4.290 6.638 -6.166 1.00 0.00 H new ATOM 0 HA SER A 402 3.871 9.406 -5.631 1.00 0.00 H new ATOM 0 HB2 SER A 402 3.306 7.481 -7.944 1.00 0.00 H new ATOM 0 HB3 SER A 402 2.840 9.164 -8.088 1.00 0.00 H new ATOM 0 HG SER A 402 5.005 8.783 -8.870 1.00 0.00 H new ATOM 588 N ASP A 403 1.076 7.726 -5.476 1.00 0.00 N ATOM 589 CA ASP A 403 -0.385 7.941 -5.187 1.00 0.00 C ATOM 590 C ASP A 403 -0.747 7.725 -3.703 1.00 0.00 C ATOM 591 O ASP A 403 -1.918 7.672 -3.376 1.00 0.00 O ATOM 592 CB ASP A 403 -1.124 6.910 -6.047 1.00 0.00 C ATOM 593 CG ASP A 403 -0.786 7.130 -7.523 1.00 0.00 C ATOM 594 OD1 ASP A 403 -0.886 8.259 -7.972 1.00 0.00 O ATOM 595 OD2 ASP A 403 -0.430 6.164 -8.178 1.00 0.00 O ATOM 0 H ASP A 403 1.391 6.756 -5.455 1.00 0.00 H new ATOM 0 HA ASP A 403 -0.659 8.972 -5.412 1.00 0.00 H new ATOM 0 HB2 ASP A 403 -0.841 5.901 -5.746 1.00 0.00 H new ATOM 0 HB3 ASP A 403 -2.200 6.998 -5.893 1.00 0.00 H new ATOM 600 N TYR A 404 0.209 7.606 -2.793 1.00 0.00 N ATOM 601 CA TYR A 404 -0.172 7.402 -1.344 1.00 0.00 C ATOM 602 C TYR A 404 -1.127 8.521 -0.902 1.00 0.00 C ATOM 603 O TYR A 404 -0.935 9.672 -1.251 1.00 0.00 O ATOM 604 CB TYR A 404 1.121 7.468 -0.516 1.00 0.00 C ATOM 605 CG TYR A 404 0.794 7.176 0.933 1.00 0.00 C ATOM 606 CD1 TYR A 404 0.104 5.982 1.279 1.00 0.00 C ATOM 607 CD2 TYR A 404 1.159 8.103 1.946 1.00 0.00 C ATOM 608 CE1 TYR A 404 -0.221 5.715 2.637 1.00 0.00 C ATOM 609 CE2 TYR A 404 0.837 7.835 3.305 1.00 0.00 C ATOM 610 CZ TYR A 404 0.146 6.642 3.649 1.00 0.00 C ATOM 611 OH TYR A 404 -0.172 6.384 4.968 1.00 0.00 O ATOM 0 H TYR A 404 1.210 7.640 -2.984 1.00 0.00 H new ATOM 0 HA TYR A 404 -0.671 6.443 -1.205 1.00 0.00 H new ATOM 0 HB2 TYR A 404 1.846 6.745 -0.891 1.00 0.00 H new ATOM 0 HB3 TYR A 404 1.577 8.454 -0.608 1.00 0.00 H new ATOM 0 HD1 TYR A 404 -0.174 5.277 0.509 1.00 0.00 H new ATOM 0 HD2 TYR A 404 1.681 9.011 1.684 1.00 0.00 H new ATOM 0 HE1 TYR A 404 -0.746 4.808 2.899 1.00 0.00 H new ATOM 0 HE2 TYR A 404 1.118 8.538 4.075 1.00 0.00 H new ATOM 0 HH TYR A 404 0.151 7.117 5.532 1.00 0.00 H new ATOM 621 N GLY A 405 -2.153 8.196 -0.150 1.00 0.00 N ATOM 622 CA GLY A 405 -3.110 9.264 0.289 1.00 0.00 C ATOM 623 C GLY A 405 -3.838 8.842 1.566 1.00 0.00 C ATOM 624 O GLY A 405 -5.025 9.075 1.706 1.00 0.00 O ATOM 0 H GLY A 405 -2.368 7.253 0.175 1.00 0.00 H new ATOM 0 HA2 GLY A 405 -2.570 10.195 0.462 1.00 0.00 H new ATOM 0 HA3 GLY A 405 -3.834 9.458 -0.502 1.00 0.00 H new ATOM 628 N GLY A 406 -3.147 8.231 2.500 1.00 0.00 N ATOM 629 CA GLY A 406 -3.818 7.809 3.754 1.00 0.00 C ATOM 630 C GLY A 406 -3.663 8.901 4.810 1.00 0.00 C ATOM 631 O GLY A 406 -4.643 9.422 5.305 1.00 0.00 O ATOM 0 H GLY A 406 -2.153 8.011 2.442 1.00 0.00 H new ATOM 0 HA2 GLY A 406 -4.875 7.618 3.566 1.00 0.00 H new ATOM 0 HA3 GLY A 406 -3.384 6.876 4.114 1.00 0.00 H new ATOM 635 N VAL A 407 -2.431 9.258 5.143 1.00 0.00 N ATOM 636 CA VAL A 407 -2.146 10.324 6.163 1.00 0.00 C ATOM 637 C VAL A 407 -3.209 10.373 7.282 1.00 0.00 C ATOM 638 O VAL A 407 -3.864 11.381 7.477 1.00 0.00 O ATOM 639 CB VAL A 407 -2.126 11.636 5.372 1.00 0.00 C ATOM 640 CG1 VAL A 407 -1.774 12.800 6.309 1.00 0.00 C ATOM 641 CG2 VAL A 407 -1.082 11.544 4.250 1.00 0.00 C ATOM 0 H VAL A 407 -1.595 8.840 4.736 1.00 0.00 H new ATOM 0 HA VAL A 407 -1.204 10.129 6.675 1.00 0.00 H new ATOM 0 HB VAL A 407 -3.110 11.810 4.937 1.00 0.00 H new ATOM 0 HG11 VAL A 407 -1.761 13.731 5.743 1.00 0.00 H new ATOM 0 HG12 VAL A 407 -2.519 12.867 7.101 1.00 0.00 H new ATOM 0 HG13 VAL A 407 -0.792 12.629 6.749 1.00 0.00 H new ATOM 0 HG21 VAL A 407 -1.069 12.478 3.688 1.00 0.00 H new ATOM 0 HG22 VAL A 407 -0.097 11.367 4.683 1.00 0.00 H new ATOM 0 HG23 VAL A 407 -1.338 10.722 3.582 1.00 0.00 H new ATOM 651 N GLN A 408 -3.385 9.293 8.013 1.00 0.00 N ATOM 652 CA GLN A 408 -4.404 9.297 9.105 1.00 0.00 C ATOM 653 C GLN A 408 -3.918 8.494 10.321 1.00 0.00 C ATOM 654 O GLN A 408 -4.336 7.372 10.541 1.00 0.00 O ATOM 655 CB GLN A 408 -5.671 8.675 8.498 1.00 0.00 C ATOM 656 CG GLN A 408 -5.413 7.227 8.056 1.00 0.00 C ATOM 657 CD GLN A 408 -6.010 6.995 6.662 1.00 0.00 C ATOM 658 OE1 GLN A 408 -7.120 7.410 6.392 1.00 0.00 O ATOM 659 NE2 GLN A 408 -5.320 6.349 5.754 1.00 0.00 N ATOM 0 H GLN A 408 -2.871 8.420 7.899 1.00 0.00 H new ATOM 0 HA GLN A 408 -4.593 10.307 9.468 1.00 0.00 H new ATOM 0 HB2 GLN A 408 -6.479 8.698 9.230 1.00 0.00 H new ATOM 0 HB3 GLN A 408 -5.998 9.267 7.644 1.00 0.00 H new ATOM 0 HG2 GLN A 408 -4.342 7.027 8.041 1.00 0.00 H new ATOM 0 HG3 GLN A 408 -5.856 6.534 8.771 1.00 0.00 H new ATOM 0 HE21 GLN A 408 -4.388 5.999 5.975 1.00 0.00 H new ATOM 0 HE22 GLN A 408 -5.715 6.197 4.826 1.00 0.00 H new ATOM 668 N ILE A 409 -3.055 9.071 11.132 1.00 0.00 N ATOM 669 CA ILE A 409 -2.576 8.339 12.346 1.00 0.00 C ATOM 670 C ILE A 409 -3.324 8.872 13.572 1.00 0.00 C ATOM 671 O ILE A 409 -2.732 9.418 14.484 1.00 0.00 O ATOM 672 CB ILE A 409 -1.072 8.620 12.452 1.00 0.00 C ATOM 673 CG1 ILE A 409 -0.370 8.147 11.175 1.00 0.00 C ATOM 674 CG2 ILE A 409 -0.495 7.871 13.654 1.00 0.00 C ATOM 675 CD1 ILE A 409 1.081 8.633 11.178 1.00 0.00 C ATOM 0 H ILE A 409 -2.668 10.006 11.005 1.00 0.00 H new ATOM 0 HA ILE A 409 -2.757 7.266 12.285 1.00 0.00 H new ATOM 0 HB ILE A 409 -0.914 9.691 12.579 1.00 0.00 H new ATOM 0 HG12 ILE A 409 -0.400 7.059 11.113 1.00 0.00 H new ATOM 0 HG13 ILE A 409 -0.891 8.531 10.298 1.00 0.00 H new ATOM 0 HG21 ILE A 409 0.574 8.071 13.729 1.00 0.00 H new ATOM 0 HG22 ILE A 409 -0.991 8.207 14.564 1.00 0.00 H new ATOM 0 HG23 ILE A 409 -0.656 6.800 13.527 1.00 0.00 H new ATOM 0 HD11 ILE A 409 1.579 8.296 10.269 1.00 0.00 H new ATOM 0 HD12 ILE A 409 1.100 9.722 11.220 1.00 0.00 H new ATOM 0 HD13 ILE A 409 1.599 8.228 12.047 1.00 0.00 H new ATOM 687 N VAL A 410 -4.629 8.713 13.595 1.00 0.00 N ATOM 688 CA VAL A 410 -5.431 9.201 14.756 1.00 0.00 C ATOM 689 C VAL A 410 -6.031 7.997 15.492 1.00 0.00 C ATOM 690 O VAL A 410 -7.199 7.692 15.338 1.00 0.00 O ATOM 691 CB VAL A 410 -6.539 10.069 14.148 1.00 0.00 C ATOM 692 CG1 VAL A 410 -7.407 10.647 15.266 1.00 0.00 C ATOM 693 CG2 VAL A 410 -5.917 11.217 13.345 1.00 0.00 C ATOM 0 H VAL A 410 -5.170 8.265 12.856 1.00 0.00 H new ATOM 0 HA VAL A 410 -4.835 9.765 15.473 1.00 0.00 H new ATOM 0 HB VAL A 410 -7.152 9.456 13.488 1.00 0.00 H new ATOM 0 HG11 VAL A 410 -8.194 11.264 14.833 1.00 0.00 H new ATOM 0 HG12 VAL A 410 -7.855 9.833 15.836 1.00 0.00 H new ATOM 0 HG13 VAL A 410 -6.791 11.256 15.927 1.00 0.00 H new ATOM 0 HG21 VAL A 410 -6.708 11.831 12.915 1.00 0.00 H new ATOM 0 HG22 VAL A 410 -5.300 11.829 14.003 1.00 0.00 H new ATOM 0 HG23 VAL A 410 -5.299 10.809 12.545 1.00 0.00 H new ATOM 703 N GLY A 411 -5.237 7.294 16.272 1.00 0.00 N ATOM 704 CA GLY A 411 -5.764 6.099 16.988 1.00 0.00 C ATOM 705 C GLY A 411 -5.717 4.905 16.026 1.00 0.00 C ATOM 706 O GLY A 411 -6.727 4.290 15.743 1.00 0.00 O ATOM 0 H GLY A 411 -4.252 7.501 16.439 1.00 0.00 H new ATOM 0 HA2 GLY A 411 -5.167 5.895 17.877 1.00 0.00 H new ATOM 0 HA3 GLY A 411 -6.786 6.277 17.324 1.00 0.00 H new ATOM 710 N GLN A 412 -4.547 4.584 15.507 1.00 0.00 N ATOM 711 CA GLN A 412 -4.427 3.432 14.536 1.00 0.00 C ATOM 712 C GLN A 412 -5.135 2.178 15.083 1.00 0.00 C ATOM 713 O GLN A 412 -6.096 1.706 14.504 1.00 0.00 O ATOM 714 CB GLN A 412 -2.922 3.149 14.378 1.00 0.00 C ATOM 715 CG GLN A 412 -2.247 4.323 13.662 1.00 0.00 C ATOM 716 CD GLN A 412 -0.845 4.547 14.247 1.00 0.00 C ATOM 717 OE1 GLN A 412 0.139 4.183 13.635 1.00 0.00 O ATOM 718 NE2 GLN A 412 -0.705 5.135 15.411 1.00 0.00 N ATOM 0 H GLN A 412 -3.672 5.067 15.712 1.00 0.00 H new ATOM 0 HA GLN A 412 -4.894 3.683 13.583 1.00 0.00 H new ATOM 0 HB2 GLN A 412 -2.466 2.997 15.356 1.00 0.00 H new ATOM 0 HB3 GLN A 412 -2.773 2.230 13.811 1.00 0.00 H new ATOM 0 HG2 GLN A 412 -2.178 4.119 12.594 1.00 0.00 H new ATOM 0 HG3 GLN A 412 -2.848 5.225 13.776 1.00 0.00 H new ATOM 0 HE21 GLN A 412 -1.528 5.443 15.929 1.00 0.00 H new ATOM 0 HE22 GLN A 412 0.227 5.285 15.798 1.00 0.00 H new ATOM 727 N ASP A 413 -4.674 1.639 16.193 1.00 0.00 N ATOM 728 CA ASP A 413 -5.333 0.425 16.766 1.00 0.00 C ATOM 729 C ASP A 413 -5.199 0.406 18.300 1.00 0.00 C ATOM 730 O ASP A 413 -5.061 -0.645 18.895 1.00 0.00 O ATOM 731 CB ASP A 413 -4.584 -0.757 16.148 1.00 0.00 C ATOM 732 CG ASP A 413 -5.146 -1.045 14.755 1.00 0.00 C ATOM 733 OD1 ASP A 413 -6.172 -1.702 14.676 1.00 0.00 O ATOM 734 OD2 ASP A 413 -4.541 -0.606 13.790 1.00 0.00 O ATOM 0 H ASP A 413 -3.874 1.988 16.721 1.00 0.00 H new ATOM 0 HA ASP A 413 -6.400 0.397 16.547 1.00 0.00 H new ATOM 0 HB2 ASP A 413 -3.519 -0.533 16.083 1.00 0.00 H new ATOM 0 HB3 ASP A 413 -4.686 -1.638 16.782 1.00 0.00 H new ATOM 739 N GLU A 414 -5.238 1.557 18.951 1.00 0.00 N ATOM 740 CA GLU A 414 -5.113 1.591 20.447 1.00 0.00 C ATOM 741 C GLU A 414 -3.868 0.816 20.909 1.00 0.00 C ATOM 742 O GLU A 414 -3.910 0.105 21.895 1.00 0.00 O ATOM 743 CB GLU A 414 -6.387 0.927 20.975 1.00 0.00 C ATOM 744 CG GLU A 414 -7.509 1.963 21.048 1.00 0.00 C ATOM 745 CD GLU A 414 -8.812 1.278 21.464 1.00 0.00 C ATOM 746 OE1 GLU A 414 -9.460 0.707 20.602 1.00 0.00 O ATOM 747 OE2 GLU A 414 -9.139 1.335 22.638 1.00 0.00 O ATOM 0 H GLU A 414 -5.351 2.469 18.508 1.00 0.00 H new ATOM 0 HA GLU A 414 -5.001 2.609 20.819 1.00 0.00 H new ATOM 0 HB2 GLU A 414 -6.679 0.105 20.322 1.00 0.00 H new ATOM 0 HB3 GLU A 414 -6.206 0.501 21.962 1.00 0.00 H new ATOM 0 HG2 GLU A 414 -7.252 2.743 21.764 1.00 0.00 H new ATOM 0 HG3 GLU A 414 -7.634 2.448 20.080 1.00 0.00 H new ATOM 754 N THR A 415 -2.761 0.946 20.207 1.00 0.00 N ATOM 755 CA THR A 415 -1.527 0.216 20.616 1.00 0.00 C ATOM 756 C THR A 415 -0.433 1.216 21.018 1.00 0.00 C ATOM 757 O THR A 415 0.581 1.334 20.355 1.00 0.00 O ATOM 758 CB THR A 415 -1.112 -0.583 19.380 1.00 0.00 C ATOM 759 OG1 THR A 415 -1.605 0.055 18.210 1.00 0.00 O ATOM 760 CG2 THR A 415 -1.687 -1.995 19.478 1.00 0.00 C ATOM 0 H THR A 415 -2.666 1.525 19.373 1.00 0.00 H new ATOM 0 HA THR A 415 -1.691 -0.432 21.477 1.00 0.00 H new ATOM 0 HB THR A 415 -0.025 -0.635 19.326 1.00 0.00 H new ATOM 0 HG1 THR A 415 -1.336 -0.458 17.420 1.00 0.00 H new ATOM 0 HG21 THR A 415 -1.394 -2.569 18.599 1.00 0.00 H new ATOM 0 HG22 THR A 415 -1.303 -2.483 20.374 1.00 0.00 H new ATOM 0 HG23 THR A 415 -2.774 -1.942 19.531 1.00 0.00 H new ATOM 768 N ASP A 416 -0.630 1.937 22.101 1.00 0.00 N ATOM 769 CA ASP A 416 0.401 2.925 22.542 1.00 0.00 C ATOM 770 C ASP A 416 0.987 2.509 23.901 1.00 0.00 C ATOM 771 O ASP A 416 0.508 2.929 24.938 1.00 0.00 O ATOM 772 CB ASP A 416 -0.347 4.253 22.665 1.00 0.00 C ATOM 773 CG ASP A 416 -0.468 4.900 21.283 1.00 0.00 C ATOM 774 OD1 ASP A 416 -1.356 4.509 20.543 1.00 0.00 O ATOM 775 OD2 ASP A 416 0.330 5.777 20.990 1.00 0.00 O ATOM 0 H ASP A 416 -1.458 1.881 22.694 1.00 0.00 H new ATOM 0 HA ASP A 416 1.235 2.991 21.843 1.00 0.00 H new ATOM 0 HB2 ASP A 416 -1.337 4.087 23.089 1.00 0.00 H new ATOM 0 HB3 ASP A 416 0.183 4.920 23.345 1.00 0.00 H new ATOM 780 N ASP A 417 2.019 1.690 23.908 1.00 0.00 N ATOM 781 CA ASP A 417 2.624 1.258 25.204 1.00 0.00 C ATOM 782 C ASP A 417 4.150 1.202 25.083 1.00 0.00 C ATOM 783 O ASP A 417 4.800 1.076 26.107 1.00 0.00 O ATOM 784 CB ASP A 417 2.055 -0.137 25.460 1.00 0.00 C ATOM 785 CG ASP A 417 1.819 -0.325 26.960 1.00 0.00 C ATOM 786 OD1 ASP A 417 2.790 -0.511 27.674 1.00 0.00 O ATOM 787 OD2 ASP A 417 0.669 -0.279 27.369 1.00 0.00 O ATOM 0 H ASP A 417 2.463 1.307 23.073 1.00 0.00 H new ATOM 0 HA ASP A 417 2.395 1.947 26.017 1.00 0.00 H new ATOM 0 HB2 ASP A 417 1.120 -0.265 24.915 1.00 0.00 H new ATOM 0 HB3 ASP A 417 2.745 -0.896 25.092 1.00 0.00 H new TER 792 ASP A 417 HETATM 793 ZN ZN A1001 -0.625 -3.042 1.924 1.00 0.00 ZN