USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 523 hydrogens (12 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 Set 1.1: A 49 HIS : no HD1:sc= -19.5! C(o=-20!,f=-28!) USER MOD Set 1.2: A1318 ATP O2' : rot -74:sc= 1.56 USER MOD Set 1.3: A1318 ATP O3' : rot 113:sc= -2.31! USER MOD Set 2.1: A 55 TYR OH : rot 71:sc= 0.0417 USER MOD Set 2.2: A 56 THR OG1 : rot 77:sc= -3.63! USER MOD Set 3.1: A 46 TYR OH : rot 106:sc= 0.919 USER MOD Set 3.2: A 47 HIS :FLIP no HE2:sc= -1.37 F(o=-4.1!,f=-0.45) USER MOD Set 4.1: A 30 MET CE :methyl 171:sc= -3.76! (180deg=-4.17) USER MOD Set 4.2: A 38 SER OG : rot 114:sc= 0.821 USER MOD Set 5.1: A 22 ASN : amide:sc= -16.4! C(o=-32!,f=-44!) USER MOD Set 5.2: A 24 HIS : no HD1:sc= -15.9! C(o=-32!,f=-35!) USER MOD Set 6.1: A 1 GLY N :NH3+ 167:sc=-0.00838 (180deg=-0.194) USER MOD Set 6.2: A 2 SER OG : rot 180:sc= -0.0111 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 140:sc= -0.0349! (180deg=-3!) USER MOD Single : A 28 TYR OH : rot 57:sc= 0.929 USER MOD Single : A 29 ASN : amide:sc= -0.843 K(o=-0.84,f=-2.7!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 ASN :FLIP amide:sc= -2.12 F(o=-4.4!,f=-2.1) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot -57:sc= -0.712! USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0.012 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.713 1.646 -23.139 1.00 0.00 N ATOM 2 CA GLY A 1 10.952 0.195 -22.895 1.00 0.00 C ATOM 3 C GLY A 1 10.420 -0.179 -21.517 1.00 0.00 C ATOM 4 O GLY A 1 11.036 -0.960 -20.794 1.00 0.00 O ATOM 0 H1 GLY A 1 11.261 1.954 -23.968 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.700 1.806 -23.314 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.011 2.192 -22.305 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.457 -0.401 -23.662 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.018 -0.025 -22.958 1.00 0.00 H new ATOM 10 N SER A 2 9.272 0.387 -21.162 1.00 0.00 N ATOM 11 CA SER A 2 8.664 0.110 -19.867 1.00 0.00 C ATOM 12 C SER A 2 7.160 0.362 -19.917 1.00 0.00 C ATOM 13 O SER A 2 6.599 0.623 -20.982 1.00 0.00 O ATOM 14 CB SER A 2 9.297 0.998 -18.796 1.00 0.00 C ATOM 15 OG SER A 2 10.149 1.949 -19.422 1.00 0.00 O ATOM 0 H SER A 2 8.747 1.036 -21.748 1.00 0.00 H new ATOM 0 HA SER A 2 8.837 -0.938 -19.620 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.522 1.507 -18.224 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.865 0.390 -18.092 1.00 0.00 H new ATOM 0 HG SER A 2 10.557 2.522 -18.740 1.00 0.00 H new ATOM 21 N PHE A 3 6.515 0.288 -18.758 1.00 0.00 N ATOM 22 CA PHE A 3 5.078 0.516 -18.678 1.00 0.00 C ATOM 23 C PHE A 3 4.779 1.685 -17.745 1.00 0.00 C ATOM 24 O PHE A 3 5.695 2.349 -17.258 1.00 0.00 O ATOM 25 CB PHE A 3 4.372 -0.747 -18.174 1.00 0.00 C ATOM 26 CG PHE A 3 4.642 -1.894 -19.123 1.00 0.00 C ATOM 27 CD1 PHE A 3 4.307 -1.778 -20.479 1.00 0.00 C ATOM 28 CD2 PHE A 3 5.228 -3.073 -18.647 1.00 0.00 C ATOM 29 CE1 PHE A 3 4.556 -2.840 -21.356 1.00 0.00 C ATOM 30 CE2 PHE A 3 5.477 -4.135 -19.525 1.00 0.00 C ATOM 31 CZ PHE A 3 5.143 -4.018 -20.879 1.00 0.00 C ATOM 0 H PHE A 3 6.962 0.073 -17.866 1.00 0.00 H new ATOM 0 HA PHE A 3 4.708 0.757 -19.674 1.00 0.00 H new ATOM 0 HB2 PHE A 3 4.725 -0.999 -17.174 1.00 0.00 H new ATOM 0 HB3 PHE A 3 3.299 -0.570 -18.098 1.00 0.00 H new ATOM 0 HD1 PHE A 3 3.856 -0.868 -20.847 1.00 0.00 H new ATOM 0 HD2 PHE A 3 5.488 -3.163 -17.603 1.00 0.00 H new ATOM 0 HE1 PHE A 3 4.295 -2.751 -22.400 1.00 0.00 H new ATOM 0 HE2 PHE A 3 5.927 -5.045 -19.157 1.00 0.00 H new ATOM 0 HZ PHE A 3 5.338 -4.837 -21.556 1.00 0.00 H new ATOM 41 N ARG A 4 3.498 1.936 -17.503 1.00 0.00 N ATOM 42 CA ARG A 4 3.099 3.034 -16.629 1.00 0.00 C ATOM 43 C ARG A 4 2.366 2.505 -15.402 1.00 0.00 C ATOM 44 O ARG A 4 2.176 3.222 -14.419 1.00 0.00 O ATOM 45 CB ARG A 4 2.192 4.003 -17.390 1.00 0.00 C ATOM 46 CG ARG A 4 2.122 5.335 -16.643 1.00 0.00 C ATOM 47 CD ARG A 4 1.224 6.305 -17.411 1.00 0.00 C ATOM 48 NE ARG A 4 1.022 7.530 -16.641 1.00 0.00 N ATOM 49 CZ ARG A 4 1.525 8.698 -17.041 1.00 0.00 C ATOM 50 NH1 ARG A 4 2.235 8.775 -18.135 1.00 0.00 N ATOM 51 NH2 ARG A 4 1.310 9.773 -16.333 1.00 0.00 N ATOM 0 H ARG A 4 2.724 1.400 -17.895 1.00 0.00 H new ATOM 0 HA ARG A 4 3.997 3.557 -16.302 1.00 0.00 H new ATOM 0 HB2 ARG A 4 2.575 4.160 -18.398 1.00 0.00 H new ATOM 0 HB3 ARG A 4 1.193 3.578 -17.491 1.00 0.00 H new ATOM 0 HG2 ARG A 4 1.731 5.180 -15.637 1.00 0.00 H new ATOM 0 HG3 ARG A 4 3.121 5.756 -16.535 1.00 0.00 H new ATOM 0 HD2 ARG A 4 1.675 6.543 -18.374 1.00 0.00 H new ATOM 0 HD3 ARG A 4 0.263 5.835 -17.617 1.00 0.00 H new ATOM 0 HE ARG A 4 0.483 7.491 -15.776 1.00 0.00 H new ATOM 0 HH11 ARG A 4 2.408 7.937 -18.691 1.00 0.00 H new ATOM 0 HH12 ARG A 4 2.616 9.673 -18.434 1.00 0.00 H new ATOM 0 HH21 ARG A 4 0.759 9.718 -15.477 1.00 0.00 H new ATOM 0 HH22 ARG A 4 1.693 10.668 -16.636 1.00 0.00 H new ATOM 65 N VAL A 5 1.956 1.244 -15.466 1.00 0.00 N ATOM 66 CA VAL A 5 1.245 0.624 -14.356 1.00 0.00 C ATOM 67 C VAL A 5 1.780 1.137 -13.022 1.00 0.00 C ATOM 68 O VAL A 5 2.742 0.596 -12.477 1.00 0.00 O ATOM 69 CB VAL A 5 1.402 -0.894 -14.423 1.00 0.00 C ATOM 70 CG1 VAL A 5 0.398 -1.465 -15.426 1.00 0.00 C ATOM 71 CG2 VAL A 5 2.822 -1.237 -14.877 1.00 0.00 C ATOM 0 H VAL A 5 2.103 0.634 -16.270 1.00 0.00 H new ATOM 0 HA VAL A 5 0.189 0.884 -14.433 1.00 0.00 H new ATOM 0 HB VAL A 5 1.219 -1.324 -13.438 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.509 -2.548 -15.475 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -0.615 -1.218 -15.108 1.00 0.00 H new ATOM 0 HG13 VAL A 5 0.584 -1.036 -16.411 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.937 -2.320 -14.926 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.002 -0.808 -15.863 1.00 0.00 H new ATOM 0 HG23 VAL A 5 3.540 -0.828 -14.166 1.00 0.00 H new ATOM 81 N LYS A 6 1.146 2.183 -12.502 1.00 0.00 N ATOM 82 CA LYS A 6 1.562 2.763 -11.231 1.00 0.00 C ATOM 83 C LYS A 6 0.710 2.219 -10.088 1.00 0.00 C ATOM 84 O LYS A 6 1.229 1.867 -9.028 1.00 0.00 O ATOM 85 CB LYS A 6 1.434 4.287 -11.285 1.00 0.00 C ATOM 86 CG LYS A 6 2.694 4.929 -10.698 1.00 0.00 C ATOM 87 CD LYS A 6 2.430 6.412 -10.428 1.00 0.00 C ATOM 88 CE LYS A 6 3.546 6.980 -9.547 1.00 0.00 C ATOM 89 NZ LYS A 6 4.645 7.501 -10.409 1.00 0.00 N ATOM 0 H LYS A 6 0.347 2.644 -12.938 1.00 0.00 H new ATOM 0 HA LYS A 6 2.603 2.492 -11.054 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.293 4.614 -12.315 1.00 0.00 H new ATOM 0 HB3 LYS A 6 0.555 4.608 -10.726 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.976 4.424 -9.774 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.529 4.817 -11.390 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.381 6.960 -11.369 1.00 0.00 H new ATOM 0 HD3 LYS A 6 1.465 6.536 -9.936 1.00 0.00 H new ATOM 0 HE2 LYS A 6 3.155 7.778 -8.916 1.00 0.00 H new ATOM 0 HE3 LYS A 6 3.928 6.206 -8.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 5.403 7.887 -9.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 5.024 6.728 -10.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 4.276 8.252 -11.026 1.00 0.00 H new ATOM 103 N PRO A 7 -0.581 2.145 -10.284 1.00 0.00 N ATOM 104 CA PRO A 7 -1.525 1.636 -9.254 1.00 0.00 C ATOM 105 C PRO A 7 -1.610 0.110 -9.260 1.00 0.00 C ATOM 106 O PRO A 7 -0.780 -0.562 -9.870 1.00 0.00 O ATOM 107 CB PRO A 7 -2.856 2.264 -9.661 1.00 0.00 C ATOM 108 CG PRO A 7 -2.773 2.457 -11.143 1.00 0.00 C ATOM 109 CD PRO A 7 -1.286 2.542 -11.513 1.00 0.00 C ATOM 0 HA PRO A 7 -1.217 1.894 -8.241 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -3.692 1.617 -9.396 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -3.014 3.214 -9.150 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -3.252 1.628 -11.665 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -3.295 3.366 -11.441 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -1.044 1.877 -12.342 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -1.010 3.550 -11.822 1.00 0.00 H new ATOM 117 N CYS A 8 -2.618 -0.430 -8.580 1.00 0.00 N ATOM 118 CA CYS A 8 -2.790 -1.876 -8.523 1.00 0.00 C ATOM 119 C CYS A 8 -2.650 -2.478 -9.916 1.00 0.00 C ATOM 120 O CYS A 8 -2.630 -1.757 -10.911 1.00 0.00 O ATOM 121 CB CYS A 8 -4.161 -2.226 -7.947 1.00 0.00 C ATOM 122 SG CYS A 8 -4.520 -3.966 -8.285 1.00 0.00 S ATOM 0 H CYS A 8 -3.319 0.105 -8.067 1.00 0.00 H new ATOM 0 HA CYS A 8 -2.017 -2.290 -7.875 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -4.176 -2.041 -6.873 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -4.928 -1.591 -8.390 1.00 0.00 H new ATOM 127 N VAL A 9 -2.550 -3.799 -9.982 1.00 0.00 N ATOM 128 CA VAL A 9 -2.405 -4.476 -11.266 1.00 0.00 C ATOM 129 C VAL A 9 -3.288 -5.715 -11.334 1.00 0.00 C ATOM 130 O VAL A 9 -3.584 -6.215 -12.419 1.00 0.00 O ATOM 131 CB VAL A 9 -0.945 -4.875 -11.481 1.00 0.00 C ATOM 132 CG1 VAL A 9 -0.243 -3.811 -12.327 1.00 0.00 C ATOM 133 CG2 VAL A 9 -0.246 -4.994 -10.125 1.00 0.00 C ATOM 0 H VAL A 9 -2.566 -4.418 -9.172 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.717 -3.787 -12.051 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.902 -5.834 -11.998 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.798 -4.096 -12.480 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.742 -3.727 -13.293 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.284 -2.851 -11.812 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.795 -5.278 -10.276 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.289 -4.035 -9.608 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.746 -5.753 -9.523 1.00 0.00 H new ATOM 143 N VAL A 10 -3.709 -6.210 -10.178 1.00 0.00 N ATOM 144 CA VAL A 10 -4.561 -7.391 -10.143 1.00 0.00 C ATOM 145 C VAL A 10 -6.011 -6.994 -10.394 1.00 0.00 C ATOM 146 O VAL A 10 -6.860 -7.839 -10.677 1.00 0.00 O ATOM 147 CB VAL A 10 -4.437 -8.093 -8.790 1.00 0.00 C ATOM 148 CG1 VAL A 10 -3.901 -9.511 -8.993 1.00 0.00 C ATOM 149 CG2 VAL A 10 -3.475 -7.308 -7.896 1.00 0.00 C ATOM 0 H VAL A 10 -3.479 -5.819 -9.264 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.240 -8.079 -10.925 1.00 0.00 H new ATOM 0 HB VAL A 10 -5.418 -8.142 -8.317 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.814 -10.009 -8.027 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -4.586 -10.071 -9.629 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.921 -9.465 -9.467 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.386 -7.807 -6.931 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -2.495 -7.258 -8.371 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.858 -6.298 -7.748 1.00 0.00 H new ATOM 159 N CYS A 11 -6.274 -5.697 -10.309 1.00 0.00 N ATOM 160 CA CYS A 11 -7.609 -5.175 -10.548 1.00 0.00 C ATOM 161 C CYS A 11 -7.519 -4.081 -11.602 1.00 0.00 C ATOM 162 O CYS A 11 -8.457 -3.853 -12.363 1.00 0.00 O ATOM 163 CB CYS A 11 -8.212 -4.635 -9.247 1.00 0.00 C ATOM 164 SG CYS A 11 -7.745 -5.716 -7.871 1.00 0.00 S ATOM 0 H CYS A 11 -5.579 -4.988 -10.076 1.00 0.00 H new ATOM 0 HA CYS A 11 -8.262 -5.971 -10.907 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -7.858 -3.621 -9.063 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -9.298 -4.583 -9.331 1.00 0.00 H new ATOM 169 N LYS A 12 -6.359 -3.432 -11.658 1.00 0.00 N ATOM 170 CA LYS A 12 -6.112 -2.384 -12.638 1.00 0.00 C ATOM 171 C LYS A 12 -7.326 -1.485 -12.770 1.00 0.00 C ATOM 172 O LYS A 12 -7.405 -0.649 -13.671 1.00 0.00 O ATOM 173 CB LYS A 12 -5.769 -3.010 -13.991 1.00 0.00 C ATOM 174 CG LYS A 12 -5.810 -4.535 -13.879 1.00 0.00 C ATOM 175 CD LYS A 12 -5.266 -5.156 -15.168 1.00 0.00 C ATOM 176 CE LYS A 12 -4.778 -6.578 -14.884 1.00 0.00 C ATOM 177 NZ LYS A 12 -4.928 -7.408 -16.113 1.00 0.00 N ATOM 0 H LYS A 12 -5.574 -3.616 -11.033 1.00 0.00 H new ATOM 0 HA LYS A 12 -5.270 -1.779 -12.301 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.476 -2.672 -14.749 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.779 -2.686 -14.312 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.217 -4.864 -13.026 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -6.832 -4.870 -13.704 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.043 -5.173 -15.932 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.448 -4.551 -15.559 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -3.735 -6.560 -14.569 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.351 -7.014 -14.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -4.597 -8.375 -15.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.929 -7.434 -16.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -4.363 -6.995 -16.882 1.00 0.00 H new ATOM 191 N VAL A 13 -8.261 -1.658 -11.854 1.00 0.00 N ATOM 192 CA VAL A 13 -9.468 -0.854 -11.850 1.00 0.00 C ATOM 193 C VAL A 13 -9.449 0.067 -10.644 1.00 0.00 C ATOM 194 O VAL A 13 -10.231 1.012 -10.548 1.00 0.00 O ATOM 195 CB VAL A 13 -10.697 -1.753 -11.775 1.00 0.00 C ATOM 196 CG1 VAL A 13 -10.981 -2.351 -13.153 1.00 0.00 C ATOM 197 CG2 VAL A 13 -10.440 -2.876 -10.768 1.00 0.00 C ATOM 0 H VAL A 13 -8.208 -2.347 -11.104 1.00 0.00 H new ATOM 0 HA VAL A 13 -9.510 -0.268 -12.768 1.00 0.00 H new ATOM 0 HB VAL A 13 -11.559 -1.168 -11.455 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -11.860 -2.993 -13.097 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -11.163 -1.548 -13.867 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -10.123 -2.939 -13.479 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -11.317 -3.521 -10.711 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.578 -3.462 -11.088 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -10.242 -2.446 -9.786 1.00 0.00 H new ATOM 207 N ALA A 14 -8.542 -0.231 -9.724 1.00 0.00 N ATOM 208 CA ALA A 14 -8.412 0.562 -8.507 1.00 0.00 C ATOM 209 C ALA A 14 -7.033 1.201 -8.420 1.00 0.00 C ATOM 210 O ALA A 14 -6.078 0.735 -9.042 1.00 0.00 O ATOM 211 CB ALA A 14 -8.631 -0.321 -7.280 1.00 0.00 C ATOM 0 H ALA A 14 -7.888 -1.011 -9.795 1.00 0.00 H new ATOM 0 HA ALA A 14 -9.166 1.348 -8.536 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -8.532 0.281 -6.376 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -9.630 -0.756 -7.318 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -7.888 -1.118 -7.268 1.00 0.00 H new ATOM 217 N PRO A 15 -6.915 2.249 -7.652 1.00 0.00 N ATOM 218 CA PRO A 15 -5.624 2.965 -7.461 1.00 0.00 C ATOM 219 C PRO A 15 -4.653 2.154 -6.607 1.00 0.00 C ATOM 220 O PRO A 15 -3.770 1.474 -7.129 1.00 0.00 O ATOM 221 CB PRO A 15 -6.027 4.263 -6.756 1.00 0.00 C ATOM 222 CG PRO A 15 -7.311 3.955 -6.061 1.00 0.00 C ATOM 223 CD PRO A 15 -8.007 2.869 -6.882 1.00 0.00 C ATOM 0 HA PRO A 15 -5.102 3.139 -8.402 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -5.262 4.578 -6.046 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -6.153 5.076 -7.471 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -7.127 3.612 -5.043 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -7.935 4.846 -5.989 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -8.506 2.142 -6.241 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -8.768 3.291 -7.538 1.00 0.00 H new ATOM 231 N ARG A 16 -4.831 2.227 -5.291 1.00 0.00 N ATOM 232 CA ARG A 16 -3.976 1.494 -4.366 1.00 0.00 C ATOM 233 C ARG A 16 -4.286 1.894 -2.927 1.00 0.00 C ATOM 234 O ARG A 16 -3.962 2.999 -2.494 1.00 0.00 O ATOM 235 CB ARG A 16 -2.500 1.772 -4.670 1.00 0.00 C ATOM 236 CG ARG A 16 -2.359 3.130 -5.362 1.00 0.00 C ATOM 237 CD ARG A 16 -1.061 3.801 -4.914 1.00 0.00 C ATOM 238 NE ARG A 16 0.092 3.035 -5.375 1.00 0.00 N ATOM 239 CZ ARG A 16 1.248 3.634 -5.643 1.00 0.00 C ATOM 240 NH1 ARG A 16 1.355 4.928 -5.520 1.00 0.00 N ATOM 241 NH2 ARG A 16 2.275 2.929 -6.034 1.00 0.00 N ATOM 0 H ARG A 16 -5.558 2.785 -4.843 1.00 0.00 H new ATOM 0 HA ARG A 16 -4.171 0.429 -4.490 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.921 1.763 -3.746 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -2.096 0.985 -5.307 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.358 3.000 -6.444 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -3.211 3.764 -5.118 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -1.013 4.816 -5.309 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -1.042 3.881 -3.827 1.00 0.00 H new ATOM 0 HE ARG A 16 0.010 2.025 -5.493 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.552 5.480 -5.218 1.00 0.00 H new ATOM 0 HH12 ARG A 16 2.242 5.388 -5.725 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.191 1.917 -6.134 1.00 0.00 H new ATOM 0 HH22 ARG A 16 3.161 3.390 -6.239 1.00 0.00 H new ATOM 255 N ASP A 17 -4.917 0.985 -2.193 1.00 0.00 N ATOM 256 CA ASP A 17 -5.271 1.247 -0.804 1.00 0.00 C ATOM 257 C ASP A 17 -4.239 2.159 -0.153 1.00 0.00 C ATOM 258 O ASP A 17 -3.035 1.923 -0.257 1.00 0.00 O ATOM 259 CB ASP A 17 -5.353 -0.071 -0.031 1.00 0.00 C ATOM 260 CG ASP A 17 -6.745 -0.676 -0.179 1.00 0.00 C ATOM 261 OD1 ASP A 17 -7.384 -0.403 -1.182 1.00 0.00 O ATOM 262 OD2 ASP A 17 -7.152 -1.401 0.713 1.00 0.00 O ATOM 0 H ASP A 17 -5.193 0.064 -2.535 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.242 1.742 -0.781 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -4.603 -0.768 -0.404 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -5.132 0.101 1.022 1.00 0.00 H new ATOM 267 N TRP A 18 -4.713 3.201 0.517 1.00 0.00 N ATOM 268 CA TRP A 18 -3.815 4.138 1.178 1.00 0.00 C ATOM 269 C TRP A 18 -4.374 4.563 2.526 1.00 0.00 C ATOM 270 O TRP A 18 -5.577 4.477 2.772 1.00 0.00 O ATOM 271 CB TRP A 18 -3.605 5.372 0.303 1.00 0.00 C ATOM 272 CG TRP A 18 -4.931 5.966 -0.047 1.00 0.00 C ATOM 273 CD1 TRP A 18 -5.899 5.343 -0.757 1.00 0.00 C ATOM 274 CD2 TRP A 18 -5.454 7.285 0.285 1.00 0.00 C ATOM 275 NE1 TRP A 18 -6.981 6.195 -0.883 1.00 0.00 N ATOM 276 CE2 TRP A 18 -6.755 7.404 -0.256 1.00 0.00 C ATOM 277 CE3 TRP A 18 -4.931 8.379 0.997 1.00 0.00 C ATOM 278 CZ2 TRP A 18 -7.510 8.566 -0.099 1.00 0.00 C ATOM 279 CZ3 TRP A 18 -5.688 9.551 1.158 1.00 0.00 C ATOM 280 CH2 TRP A 18 -6.975 9.644 0.611 1.00 0.00 C ATOM 0 H TRP A 18 -5.705 3.418 0.617 1.00 0.00 H new ATOM 0 HA TRP A 18 -2.860 3.637 1.336 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -2.994 6.105 0.830 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -3.065 5.100 -0.604 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -5.837 4.343 -1.160 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -7.841 5.959 -1.379 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -3.940 8.318 1.423 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -8.501 8.632 -0.523 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -5.276 10.385 1.706 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -7.553 10.548 0.738 1.00 0.00 H new ATOM 291 N ARG A 19 -3.482 5.016 3.393 1.00 0.00 N ATOM 292 CA ARG A 19 -3.871 5.453 4.722 1.00 0.00 C ATOM 293 C ARG A 19 -3.074 6.691 5.118 1.00 0.00 C ATOM 294 O ARG A 19 -2.021 6.969 4.541 1.00 0.00 O ATOM 295 CB ARG A 19 -3.611 4.322 5.712 1.00 0.00 C ATOM 296 CG ARG A 19 -4.240 4.659 7.065 1.00 0.00 C ATOM 297 CD ARG A 19 -5.097 3.481 7.531 1.00 0.00 C ATOM 298 NE ARG A 19 -4.428 2.224 7.220 1.00 0.00 N ATOM 299 CZ ARG A 19 -3.595 1.656 8.087 1.00 0.00 C ATOM 300 NH1 ARG A 19 -3.385 2.213 9.249 1.00 0.00 N ATOM 301 NH2 ARG A 19 -2.990 0.543 7.777 1.00 0.00 N ATOM 0 H ARG A 19 -2.483 5.090 3.199 1.00 0.00 H new ATOM 0 HA ARG A 19 -4.931 5.707 4.729 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -4.027 3.390 5.330 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -2.538 4.168 5.828 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.462 4.870 7.798 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.851 5.558 6.981 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -5.275 3.552 8.604 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -6.071 3.514 7.044 1.00 0.00 H new ATOM 0 HE ARG A 19 -4.602 1.772 6.322 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -3.860 3.083 9.491 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -2.746 1.778 9.915 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.156 0.108 6.869 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.351 0.107 8.442 1.00 0.00 H new ATOM 315 N VAL A 20 -3.573 7.434 6.099 1.00 0.00 N ATOM 316 CA VAL A 20 -2.883 8.638 6.547 1.00 0.00 C ATOM 317 C VAL A 20 -2.278 8.423 7.924 1.00 0.00 C ATOM 318 O VAL A 20 -2.926 7.887 8.822 1.00 0.00 O ATOM 319 CB VAL A 20 -3.852 9.818 6.599 1.00 0.00 C ATOM 320 CG1 VAL A 20 -5.188 9.360 7.186 1.00 0.00 C ATOM 321 CG2 VAL A 20 -3.262 10.923 7.479 1.00 0.00 C ATOM 0 H VAL A 20 -4.441 7.228 6.594 1.00 0.00 H new ATOM 0 HA VAL A 20 -2.086 8.857 5.836 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.011 10.200 5.591 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -5.878 10.203 7.222 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.610 8.573 6.561 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -5.030 8.977 8.194 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -3.952 11.766 7.517 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.102 10.539 8.487 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.311 11.252 7.061 1.00 0.00 H new ATOM 331 N LYS A 21 -1.029 8.840 8.080 1.00 0.00 N ATOM 332 CA LYS A 21 -0.347 8.681 9.353 1.00 0.00 C ATOM 333 C LYS A 21 0.471 9.923 9.691 1.00 0.00 C ATOM 334 O LYS A 21 1.311 10.360 8.903 1.00 0.00 O ATOM 335 CB LYS A 21 0.571 7.461 9.299 1.00 0.00 C ATOM 336 CG LYS A 21 0.951 7.044 10.722 1.00 0.00 C ATOM 337 CD LYS A 21 0.198 5.765 11.095 1.00 0.00 C ATOM 338 CE LYS A 21 0.971 4.550 10.580 1.00 0.00 C ATOM 339 NZ LYS A 21 0.025 3.424 10.339 1.00 0.00 N ATOM 0 H LYS A 21 -0.474 9.286 7.349 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.099 8.540 10.130 1.00 0.00 H new ATOM 0 HB2 LYS A 21 0.070 6.638 8.789 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.468 7.693 8.725 1.00 0.00 H new ATOM 0 HG2 LYS A 21 2.026 6.879 10.789 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.706 7.841 11.424 1.00 0.00 H new ATOM 0 HD2 LYS A 21 0.080 5.702 12.177 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.803 5.781 10.665 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.494 4.803 9.658 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.729 4.253 11.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.292 2.927 9.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.063 2.761 11.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.941 3.797 10.244 1.00 0.00 H new ATOM 353 N ASN A 22 0.221 10.483 10.869 1.00 0.00 N ATOM 354 CA ASN A 22 0.942 11.670 11.311 1.00 0.00 C ATOM 355 C ASN A 22 1.161 12.637 10.152 1.00 0.00 C ATOM 356 O ASN A 22 0.206 13.191 9.605 1.00 0.00 O ATOM 357 CB ASN A 22 2.295 11.264 11.898 1.00 0.00 C ATOM 358 CG ASN A 22 3.098 10.486 10.862 1.00 0.00 C ATOM 359 OD1 ASN A 22 3.989 11.041 10.219 1.00 0.00 O ATOM 360 ND2 ASN A 22 2.832 9.225 10.659 1.00 0.00 N ATOM 0 H ASN A 22 -0.472 10.136 11.532 1.00 0.00 H new ATOM 0 HA ASN A 22 0.344 12.170 12.073 1.00 0.00 H new ATOM 0 HB2 ASN A 22 2.848 12.151 12.208 1.00 0.00 H new ATOM 0 HB3 ASN A 22 2.146 10.654 12.789 1.00 0.00 H new ATOM 0 HD21 ASN A 22 3.363 8.697 9.966 1.00 0.00 H new ATOM 0 HD22 ASN A 22 2.093 8.767 11.193 1.00 0.00 H new ATOM 367 N ARG A 23 2.423 12.840 9.788 1.00 0.00 N ATOM 368 CA ARG A 23 2.760 13.751 8.699 1.00 0.00 C ATOM 369 C ARG A 23 3.132 12.980 7.434 1.00 0.00 C ATOM 370 O ARG A 23 3.632 13.561 6.471 1.00 0.00 O ATOM 371 CB ARG A 23 3.928 14.646 9.120 1.00 0.00 C ATOM 372 CG ARG A 23 3.868 14.884 10.630 1.00 0.00 C ATOM 373 CD ARG A 23 4.313 16.314 10.948 1.00 0.00 C ATOM 374 NE ARG A 23 3.430 17.278 10.301 1.00 0.00 N ATOM 375 CZ ARG A 23 3.875 18.475 9.933 1.00 0.00 C ATOM 376 NH1 ARG A 23 5.120 18.805 10.150 1.00 0.00 N ATOM 377 NH2 ARG A 23 3.067 19.321 9.354 1.00 0.00 N ATOM 0 H ARG A 23 3.225 12.389 10.228 1.00 0.00 H new ATOM 0 HA ARG A 23 1.886 14.364 8.481 1.00 0.00 H new ATOM 0 HB2 ARG A 23 4.875 14.177 8.852 1.00 0.00 H new ATOM 0 HB3 ARG A 23 3.882 15.597 8.589 1.00 0.00 H new ATOM 0 HG2 ARG A 23 2.853 14.720 10.993 1.00 0.00 H new ATOM 0 HG3 ARG A 23 4.511 14.170 11.146 1.00 0.00 H new ATOM 0 HD2 ARG A 23 4.306 16.472 12.026 1.00 0.00 H new ATOM 0 HD3 ARG A 23 5.338 16.466 10.610 1.00 0.00 H new ATOM 0 HE ARG A 23 2.456 17.030 10.128 1.00 0.00 H new ATOM 0 HH11 ARG A 23 5.751 18.144 10.602 1.00 0.00 H new ATOM 0 HH12 ARG A 23 5.461 19.724 9.867 1.00 0.00 H new ATOM 0 HH21 ARG A 23 2.095 19.063 9.184 1.00 0.00 H new ATOM 0 HH22 ARG A 23 3.408 20.240 9.071 1.00 0.00 H new ATOM 391 N HIS A 24 2.890 11.672 7.441 1.00 0.00 N ATOM 392 CA HIS A 24 3.210 10.844 6.284 1.00 0.00 C ATOM 393 C HIS A 24 1.965 10.160 5.738 1.00 0.00 C ATOM 394 O HIS A 24 0.989 9.945 6.456 1.00 0.00 O ATOM 395 CB HIS A 24 4.229 9.770 6.669 1.00 0.00 C ATOM 396 CG HIS A 24 5.129 10.302 7.748 1.00 0.00 C ATOM 397 ND1 HIS A 24 5.497 11.636 7.810 1.00 0.00 N ATOM 398 CD2 HIS A 24 5.733 9.695 8.821 1.00 0.00 C ATOM 399 CE1 HIS A 24 6.289 11.789 8.887 1.00 0.00 C ATOM 400 NE2 HIS A 24 6.465 10.637 9.539 1.00 0.00 N ATOM 0 H HIS A 24 2.478 11.168 8.226 1.00 0.00 H new ATOM 0 HA HIS A 24 3.625 11.497 5.516 1.00 0.00 H new ATOM 0 HB2 HIS A 24 3.716 8.874 7.017 1.00 0.00 H new ATOM 0 HB3 HIS A 24 4.818 9.482 5.798 1.00 0.00 H new ATOM 0 HD2 HIS A 24 5.653 8.647 9.070 1.00 0.00 H new ATOM 0 HE1 HIS A 24 6.729 12.729 9.187 1.00 0.00 H new ATOM 0 HE2 HIS A 24 7.017 10.481 10.382 1.00 0.00 H new ATOM 409 N LEU A 25 2.029 9.792 4.466 1.00 0.00 N ATOM 410 CA LEU A 25 0.929 9.096 3.819 1.00 0.00 C ATOM 411 C LEU A 25 1.354 7.662 3.572 1.00 0.00 C ATOM 412 O LEU A 25 2.467 7.418 3.116 1.00 0.00 O ATOM 413 CB LEU A 25 0.587 9.755 2.483 1.00 0.00 C ATOM 414 CG LEU A 25 -0.464 10.845 2.700 1.00 0.00 C ATOM 415 CD1 LEU A 25 -1.793 10.205 3.107 1.00 0.00 C ATOM 416 CD2 LEU A 25 0.007 11.793 3.807 1.00 0.00 C ATOM 0 H LEU A 25 2.833 9.965 3.862 1.00 0.00 H new ATOM 0 HA LEU A 25 0.048 9.135 4.460 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.484 10.185 2.038 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.211 9.008 1.784 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.602 11.404 1.775 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.540 10.984 3.261 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.129 9.531 2.319 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.658 9.644 4.032 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.741 12.570 3.963 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.146 11.232 4.731 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.952 12.252 3.516 1.00 0.00 H new ATOM 428 N ARG A 26 0.490 6.713 3.884 1.00 0.00 N ATOM 429 CA ARG A 26 0.847 5.319 3.691 1.00 0.00 C ATOM 430 C ARG A 26 0.068 4.702 2.541 1.00 0.00 C ATOM 431 O ARG A 26 -1.158 4.602 2.584 1.00 0.00 O ATOM 432 CB ARG A 26 0.587 4.530 4.972 1.00 0.00 C ATOM 433 CG ARG A 26 1.182 3.128 4.846 1.00 0.00 C ATOM 434 CD ARG A 26 1.569 2.616 6.233 1.00 0.00 C ATOM 435 NE ARG A 26 2.026 1.234 6.154 1.00 0.00 N ATOM 436 CZ ARG A 26 2.924 0.759 7.010 1.00 0.00 C ATOM 437 NH1 ARG A 26 3.415 1.538 7.936 1.00 0.00 N ATOM 438 NH2 ARG A 26 3.317 -0.483 6.924 1.00 0.00 N ATOM 0 H ARG A 26 -0.443 6.875 4.263 1.00 0.00 H new ATOM 0 HA ARG A 26 1.908 5.276 3.445 1.00 0.00 H new ATOM 0 HB2 ARG A 26 1.028 5.047 5.824 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -0.485 4.465 5.159 1.00 0.00 H new ATOM 0 HG2 ARG A 26 0.459 2.454 4.386 1.00 0.00 H new ATOM 0 HG3 ARG A 26 2.057 3.149 4.196 1.00 0.00 H new ATOM 0 HD2 ARG A 26 2.356 3.243 6.653 1.00 0.00 H new ATOM 0 HD3 ARG A 26 0.714 2.685 6.905 1.00 0.00 H new ATOM 0 HE ARG A 26 1.650 0.622 5.430 1.00 0.00 H new ATOM 0 HH11 ARG A 26 3.109 2.509 8.001 1.00 0.00 H new ATOM 0 HH12 ARG A 26 4.105 1.176 8.594 1.00 0.00 H new ATOM 0 HH21 ARG A 26 2.935 -1.090 6.199 1.00 0.00 H new ATOM 0 HH22 ARG A 26 4.007 -0.846 7.582 1.00 0.00 H new ATOM 452 N ILE A 27 0.801 4.277 1.520 1.00 0.00 N ATOM 453 CA ILE A 27 0.190 3.651 0.359 1.00 0.00 C ATOM 454 C ILE A 27 0.525 2.164 0.347 1.00 0.00 C ATOM 455 O ILE A 27 1.540 1.740 0.902 1.00 0.00 O ATOM 456 CB ILE A 27 0.687 4.318 -0.932 1.00 0.00 C ATOM 457 CG1 ILE A 27 -0.349 5.342 -1.406 1.00 0.00 C ATOM 458 CG2 ILE A 27 0.884 3.265 -2.028 1.00 0.00 C ATOM 459 CD1 ILE A 27 0.278 6.254 -2.464 1.00 0.00 C ATOM 0 H ILE A 27 1.817 4.355 1.474 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.891 3.775 0.415 1.00 0.00 H new ATOM 0 HB ILE A 27 1.638 4.812 -0.731 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.218 4.830 -1.821 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.701 5.935 -0.562 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.236 3.749 -2.939 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.620 2.531 -1.699 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.064 2.765 -2.227 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.460 6.982 -2.800 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.133 6.776 -2.034 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.608 5.654 -3.312 1.00 0.00 H new ATOM 471 N TYR A 28 -0.332 1.378 -0.284 1.00 0.00 N ATOM 472 CA TYR A 28 -0.120 -0.060 -0.359 1.00 0.00 C ATOM 473 C TYR A 28 0.197 -0.478 -1.791 1.00 0.00 C ATOM 474 O TYR A 28 -0.085 0.257 -2.737 1.00 0.00 O ATOM 475 CB TYR A 28 -1.366 -0.789 0.130 1.00 0.00 C ATOM 476 CG TYR A 28 -1.416 -0.728 1.637 1.00 0.00 C ATOM 477 CD1 TYR A 28 -0.475 -1.435 2.394 1.00 0.00 C ATOM 478 CD2 TYR A 28 -2.396 0.039 2.279 1.00 0.00 C ATOM 479 CE1 TYR A 28 -0.514 -1.376 3.792 1.00 0.00 C ATOM 480 CE2 TYR A 28 -2.436 0.097 3.677 1.00 0.00 C ATOM 481 CZ TYR A 28 -1.495 -0.611 4.434 1.00 0.00 C ATOM 482 OH TYR A 28 -1.533 -0.553 5.812 1.00 0.00 O ATOM 0 H TYR A 28 -1.177 1.708 -0.750 1.00 0.00 H new ATOM 0 HA TYR A 28 0.726 -0.324 0.276 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -2.260 -0.332 -0.294 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.350 -1.827 -0.204 1.00 0.00 H new ATOM 0 HD1 TYR A 28 0.281 -2.026 1.899 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -3.121 0.586 1.695 1.00 0.00 H new ATOM 0 HE1 TYR A 28 0.213 -1.921 4.376 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -3.193 0.688 4.172 1.00 0.00 H new ATOM 0 HH TYR A 28 -0.672 -0.228 6.150 1.00 0.00 H new ATOM 492 N ASN A 29 0.798 -1.653 -1.945 1.00 0.00 N ATOM 493 CA ASN A 29 1.159 -2.139 -3.271 1.00 0.00 C ATOM 494 C ASN A 29 -0.074 -2.634 -4.021 1.00 0.00 C ATOM 495 O ASN A 29 -0.031 -2.847 -5.232 1.00 0.00 O ATOM 496 CB ASN A 29 2.183 -3.268 -3.155 1.00 0.00 C ATOM 497 CG ASN A 29 2.572 -3.766 -4.541 1.00 0.00 C ATOM 498 OD1 ASN A 29 2.475 -3.025 -5.519 1.00 0.00 O ATOM 499 ND2 ASN A 29 3.012 -4.986 -4.684 1.00 0.00 N ATOM 0 H ASN A 29 1.043 -2.280 -1.178 1.00 0.00 H new ATOM 0 HA ASN A 29 1.596 -1.312 -3.831 1.00 0.00 H new ATOM 0 HB2 ASN A 29 3.068 -2.914 -2.626 1.00 0.00 H new ATOM 0 HB3 ASN A 29 1.767 -4.088 -2.569 1.00 0.00 H new ATOM 0 HD21 ASN A 29 3.277 -5.328 -5.608 1.00 0.00 H new ATOM 0 HD22 ASN A 29 3.091 -5.598 -3.872 1.00 0.00 H new ATOM 506 N MET A 30 -1.173 -2.813 -3.295 1.00 0.00 N ATOM 507 CA MET A 30 -2.413 -3.280 -3.906 1.00 0.00 C ATOM 508 C MET A 30 -3.618 -2.819 -3.093 1.00 0.00 C ATOM 509 O MET A 30 -3.490 -2.475 -1.921 1.00 0.00 O ATOM 510 CB MET A 30 -2.415 -4.809 -3.988 1.00 0.00 C ATOM 511 CG MET A 30 -0.976 -5.322 -4.056 1.00 0.00 C ATOM 512 SD MET A 30 -0.980 -7.130 -3.990 1.00 0.00 S ATOM 513 CE MET A 30 -1.121 -7.289 -2.192 1.00 0.00 C ATOM 0 H MET A 30 -1.231 -2.643 -2.291 1.00 0.00 H new ATOM 0 HA MET A 30 -2.478 -2.860 -4.910 1.00 0.00 H new ATOM 0 HB2 MET A 30 -2.921 -5.229 -3.118 1.00 0.00 H new ATOM 0 HB3 MET A 30 -2.970 -5.135 -4.868 1.00 0.00 H new ATOM 0 HG2 MET A 30 -0.500 -4.982 -4.975 1.00 0.00 H new ATOM 0 HG3 MET A 30 -0.394 -4.918 -3.227 1.00 0.00 H new ATOM 0 HE1 MET A 30 -1.302 -8.332 -1.932 1.00 0.00 H new ATOM 0 HE2 MET A 30 -0.196 -6.953 -1.723 1.00 0.00 H new ATOM 0 HE3 MET A 30 -1.950 -6.677 -1.837 1.00 0.00 H new ATOM 523 N CYS A 31 -4.788 -2.813 -3.722 1.00 0.00 N ATOM 524 CA CYS A 31 -6.006 -2.398 -3.037 1.00 0.00 C ATOM 525 C CYS A 31 -6.357 -3.389 -1.929 1.00 0.00 C ATOM 526 O CYS A 31 -5.676 -4.399 -1.747 1.00 0.00 O ATOM 527 CB CYS A 31 -7.167 -2.303 -4.030 1.00 0.00 C ATOM 528 SG CYS A 31 -6.532 -1.837 -5.660 1.00 0.00 S ATOM 0 H CYS A 31 -4.919 -3.088 -4.696 1.00 0.00 H new ATOM 0 HA CYS A 31 -5.834 -1.417 -2.594 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -7.687 -3.259 -4.090 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -7.893 -1.566 -3.687 1.00 0.00 H new ATOM 533 N LYS A 32 -7.422 -3.093 -1.191 1.00 0.00 N ATOM 534 CA LYS A 32 -7.853 -3.962 -0.101 1.00 0.00 C ATOM 535 C LYS A 32 -8.320 -5.317 -0.632 1.00 0.00 C ATOM 536 O LYS A 32 -8.139 -6.343 0.023 1.00 0.00 O ATOM 537 CB LYS A 32 -8.992 -3.291 0.671 1.00 0.00 C ATOM 538 CG LYS A 32 -8.644 -3.228 2.162 1.00 0.00 C ATOM 539 CD LYS A 32 -9.601 -2.268 2.872 1.00 0.00 C ATOM 540 CE LYS A 32 -11.026 -2.823 2.801 1.00 0.00 C ATOM 541 NZ LYS A 32 -11.699 -2.638 4.117 1.00 0.00 N ATOM 0 H LYS A 32 -8.000 -2.263 -1.326 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.005 -4.128 0.563 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -9.162 -2.286 0.285 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.918 -3.848 0.528 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -8.715 -4.222 2.605 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -7.615 -2.894 2.292 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -9.300 -2.141 3.912 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.559 -1.284 2.405 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -11.588 -2.312 2.019 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.003 -3.881 2.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.667 -3.015 4.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.167 -3.144 4.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -11.734 -1.625 4.350 1.00 0.00 H new ATOM 555 N THR A 33 -8.920 -5.317 -1.820 1.00 0.00 N ATOM 556 CA THR A 33 -9.398 -6.558 -2.419 1.00 0.00 C ATOM 557 C THR A 33 -8.220 -7.456 -2.772 1.00 0.00 C ATOM 558 O THR A 33 -7.987 -8.482 -2.133 1.00 0.00 O ATOM 559 CB THR A 33 -10.207 -6.253 -3.680 1.00 0.00 C ATOM 560 OG1 THR A 33 -11.452 -5.675 -3.316 1.00 0.00 O ATOM 561 CG2 THR A 33 -10.448 -7.549 -4.454 1.00 0.00 C ATOM 0 H THR A 33 -9.085 -4.481 -2.381 1.00 0.00 H new ATOM 0 HA THR A 33 -10.036 -7.071 -1.699 1.00 0.00 H new ATOM 0 HB THR A 33 -9.655 -5.554 -4.308 1.00 0.00 H new ATOM 0 HG1 THR A 33 -11.970 -5.478 -4.124 1.00 0.00 H new ATOM 0 HG21 THR A 33 -11.025 -7.334 -5.354 1.00 0.00 H new ATOM 0 HG22 THR A 33 -9.491 -7.989 -4.733 1.00 0.00 H new ATOM 0 HG23 THR A 33 -11.001 -8.249 -3.828 1.00 0.00 H new ATOM 569 N CYS A 34 -7.474 -7.046 -3.792 1.00 0.00 N ATOM 570 CA CYS A 34 -6.310 -7.796 -4.237 1.00 0.00 C ATOM 571 C CYS A 34 -5.475 -8.235 -3.041 1.00 0.00 C ATOM 572 O CYS A 34 -4.796 -9.258 -3.088 1.00 0.00 O ATOM 573 CB CYS A 34 -5.463 -6.930 -5.171 1.00 0.00 C ATOM 574 SG CYS A 34 -5.611 -5.193 -4.685 1.00 0.00 S ATOM 0 H CYS A 34 -7.657 -6.196 -4.326 1.00 0.00 H new ATOM 0 HA CYS A 34 -6.647 -8.683 -4.774 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -4.420 -7.243 -5.128 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -5.792 -7.059 -6.202 1.00 0.00 H new ATOM 579 N PHE A 35 -5.539 -7.456 -1.965 1.00 0.00 N ATOM 580 CA PHE A 35 -4.793 -7.776 -0.756 1.00 0.00 C ATOM 581 C PHE A 35 -5.268 -9.117 -0.220 1.00 0.00 C ATOM 582 O PHE A 35 -4.469 -10.002 0.086 1.00 0.00 O ATOM 583 CB PHE A 35 -5.000 -6.676 0.293 1.00 0.00 C ATOM 584 CG PHE A 35 -4.985 -7.275 1.680 1.00 0.00 C ATOM 585 CD1 PHE A 35 -3.876 -8.011 2.112 1.00 0.00 C ATOM 586 CD2 PHE A 35 -6.081 -7.096 2.531 1.00 0.00 C ATOM 587 CE1 PHE A 35 -3.862 -8.568 3.396 1.00 0.00 C ATOM 588 CE2 PHE A 35 -6.069 -7.652 3.816 1.00 0.00 C ATOM 589 CZ PHE A 35 -4.959 -8.387 4.248 1.00 0.00 C ATOM 0 H PHE A 35 -6.097 -6.604 -1.907 1.00 0.00 H new ATOM 0 HA PHE A 35 -3.729 -7.837 -0.985 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.215 -5.925 0.204 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -5.949 -6.168 0.117 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -3.031 -8.149 1.454 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -6.937 -6.529 2.197 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -3.006 -9.137 3.729 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -6.915 -7.514 4.473 1.00 0.00 H new ATOM 0 HZ PHE A 35 -4.948 -8.815 5.239 1.00 0.00 H new ATOM 599 N ASN A 36 -6.582 -9.259 -0.136 1.00 0.00 N ATOM 600 CA ASN A 36 -7.180 -10.495 0.331 1.00 0.00 C ATOM 601 C ASN A 36 -6.885 -11.605 -0.667 1.00 0.00 C ATOM 602 O ASN A 36 -6.553 -12.729 -0.292 1.00 0.00 O ATOM 603 CB ASN A 36 -8.690 -10.312 0.471 1.00 0.00 C ATOM 604 CG ASN A 36 -8.994 -9.442 1.685 1.00 0.00 C ATOM 605 OD1 ASN A 36 -8.469 -8.249 1.768 1.00 0.00 O flip ATOM 606 ND2 ASN A 36 -9.728 -9.859 2.581 1.00 0.00 N flip ATOM 0 H ASN A 36 -7.253 -8.532 -0.386 1.00 0.00 H new ATOM 0 HA ASN A 36 -6.761 -10.761 1.302 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -9.095 -9.850 -0.430 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -9.175 -11.282 0.577 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -10.137 -10.791 2.513 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -9.928 -9.272 3.391 1.00 0.00 H new ATOM 613 N ASN A 37 -7.000 -11.264 -1.947 1.00 0.00 N ATOM 614 CA ASN A 37 -6.733 -12.220 -3.014 1.00 0.00 C ATOM 615 C ASN A 37 -5.254 -12.573 -3.039 1.00 0.00 C ATOM 616 O ASN A 37 -4.874 -13.682 -3.412 1.00 0.00 O ATOM 617 CB ASN A 37 -7.163 -11.645 -4.367 1.00 0.00 C ATOM 618 CG ASN A 37 -8.073 -12.633 -5.088 1.00 0.00 C ATOM 619 OD1 ASN A 37 -9.181 -12.907 -4.628 1.00 0.00 O ATOM 620 ND2 ASN A 37 -7.670 -13.190 -6.198 1.00 0.00 N ATOM 0 H ASN A 37 -7.275 -10.336 -2.269 1.00 0.00 H new ATOM 0 HA ASN A 37 -7.309 -13.126 -2.824 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -7.684 -10.699 -4.220 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -6.285 -11.434 -4.978 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -8.274 -13.853 -6.685 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -6.751 -12.962 -6.579 1.00 0.00 H new ATOM 627 N SER A 38 -4.423 -11.623 -2.618 1.00 0.00 N ATOM 628 CA SER A 38 -2.986 -11.851 -2.579 1.00 0.00 C ATOM 629 C SER A 38 -2.695 -12.951 -1.585 1.00 0.00 C ATOM 630 O SER A 38 -1.725 -13.696 -1.725 1.00 0.00 O ATOM 631 CB SER A 38 -2.242 -10.583 -2.166 1.00 0.00 C ATOM 632 OG SER A 38 -2.246 -10.475 -0.748 1.00 0.00 O ATOM 0 H SER A 38 -4.718 -10.699 -2.303 1.00 0.00 H new ATOM 0 HA SER A 38 -2.646 -12.137 -3.575 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.217 -10.612 -2.537 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.717 -9.708 -2.610 1.00 0.00 H new ATOM 0 HG SER A 38 -1.330 -10.562 -0.411 1.00 0.00 H new ATOM 638 N ILE A 39 -3.559 -13.063 -0.587 1.00 0.00 N ATOM 639 CA ILE A 39 -3.389 -14.098 0.410 1.00 0.00 C ATOM 640 C ILE A 39 -3.545 -15.435 -0.276 1.00 0.00 C ATOM 641 O ILE A 39 -2.931 -16.429 0.108 1.00 0.00 O ATOM 642 CB ILE A 39 -4.430 -13.952 1.520 1.00 0.00 C ATOM 643 CG1 ILE A 39 -4.486 -12.492 1.969 1.00 0.00 C ATOM 644 CG2 ILE A 39 -4.045 -14.840 2.706 1.00 0.00 C ATOM 645 CD1 ILE A 39 -5.392 -12.367 3.194 1.00 0.00 C ATOM 0 H ILE A 39 -4.370 -12.459 -0.450 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.402 -14.017 0.866 1.00 0.00 H new ATOM 0 HB ILE A 39 -5.407 -14.257 1.146 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -3.484 -12.136 2.207 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.863 -11.866 1.160 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.788 -14.734 3.496 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -4.004 -15.880 2.383 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.068 -14.539 3.084 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.431 -11.325 3.513 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -6.396 -12.707 2.940 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.996 -12.980 4.004 1.00 0.00 H new ATOM 657 N LYS A 40 -4.356 -15.433 -1.323 1.00 0.00 N ATOM 658 CA LYS A 40 -4.571 -16.639 -2.099 1.00 0.00 C ATOM 659 C LYS A 40 -3.389 -16.859 -3.033 1.00 0.00 C ATOM 660 O LYS A 40 -2.591 -17.777 -2.847 1.00 0.00 O ATOM 661 CB LYS A 40 -5.871 -16.534 -2.906 1.00 0.00 C ATOM 662 CG LYS A 40 -6.854 -17.605 -2.432 1.00 0.00 C ATOM 663 CD LYS A 40 -6.320 -18.988 -2.813 1.00 0.00 C ATOM 664 CE LYS A 40 -7.483 -19.893 -3.223 1.00 0.00 C ATOM 665 NZ LYS A 40 -7.834 -19.640 -4.651 1.00 0.00 N ATOM 0 H LYS A 40 -4.871 -14.616 -1.651 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.657 -17.487 -1.420 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -6.309 -15.543 -2.783 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.663 -16.661 -3.968 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.988 -17.539 -1.352 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.832 -17.443 -2.885 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -5.608 -18.900 -3.633 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -5.784 -19.427 -1.971 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -7.209 -20.939 -3.085 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.347 -19.703 -2.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.625 -20.256 -4.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -8.112 -18.645 -4.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -7.010 -19.843 -5.252 1.00 0.00 H new ATOM 679 N SER A 41 -3.286 -15.993 -4.037 1.00 0.00 N ATOM 680 CA SER A 41 -2.208 -16.065 -5.008 1.00 0.00 C ATOM 681 C SER A 41 -0.875 -15.677 -4.378 1.00 0.00 C ATOM 682 O SER A 41 0.122 -16.389 -4.508 1.00 0.00 O ATOM 683 CB SER A 41 -2.503 -15.136 -6.186 1.00 0.00 C ATOM 684 OG SER A 41 -3.614 -15.641 -6.915 1.00 0.00 O ATOM 0 H SER A 41 -3.943 -15.229 -4.197 1.00 0.00 H new ATOM 0 HA SER A 41 -2.139 -17.095 -5.359 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.717 -14.130 -5.826 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.630 -15.064 -6.835 1.00 0.00 H new ATOM 0 HG SER A 41 -3.807 -15.047 -7.670 1.00 0.00 H new ATOM 690 N GLY A 42 -0.871 -14.527 -3.711 1.00 0.00 N ATOM 691 CA GLY A 42 0.338 -14.016 -3.075 1.00 0.00 C ATOM 692 C GLY A 42 0.783 -14.919 -1.937 1.00 0.00 C ATOM 693 O GLY A 42 1.965 -15.232 -1.804 1.00 0.00 O ATOM 0 H GLY A 42 -1.691 -13.932 -3.597 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.136 -13.938 -3.814 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.155 -13.011 -2.695 1.00 0.00 H new ATOM 697 N ASP A 43 -0.172 -15.334 -1.120 1.00 0.00 N ATOM 698 CA ASP A 43 0.131 -16.204 0.007 1.00 0.00 C ATOM 699 C ASP A 43 1.133 -15.543 0.947 1.00 0.00 C ATOM 700 O ASP A 43 0.826 -15.272 2.108 1.00 0.00 O ATOM 701 CB ASP A 43 0.700 -17.524 -0.508 1.00 0.00 C ATOM 702 CG ASP A 43 1.107 -18.412 0.662 1.00 0.00 C ATOM 703 OD1 ASP A 43 1.485 -17.871 1.688 1.00 0.00 O ATOM 704 OD2 ASP A 43 1.034 -19.621 0.515 1.00 0.00 O ATOM 0 H ASP A 43 -1.157 -15.085 -1.214 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.789 -16.391 0.561 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.043 -18.035 -1.121 1.00 0.00 H new ATOM 0 HB3 ASP A 43 1.563 -17.333 -1.146 1.00 0.00 H new ATOM 709 N ASP A 44 2.328 -15.287 0.436 1.00 0.00 N ATOM 710 CA ASP A 44 3.375 -14.657 1.234 1.00 0.00 C ATOM 711 C ASP A 44 4.459 -14.080 0.332 1.00 0.00 C ATOM 712 O ASP A 44 5.631 -14.442 0.443 1.00 0.00 O ATOM 713 CB ASP A 44 3.994 -15.678 2.189 1.00 0.00 C ATOM 714 CG ASP A 44 4.795 -16.707 1.399 1.00 0.00 C ATOM 715 OD1 ASP A 44 4.451 -16.939 0.251 1.00 0.00 O ATOM 716 OD2 ASP A 44 5.740 -17.246 1.950 1.00 0.00 O ATOM 0 H ASP A 44 2.598 -15.504 -0.523 1.00 0.00 H new ATOM 0 HA ASP A 44 2.927 -13.848 1.811 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.641 -15.173 2.906 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.211 -16.175 2.761 1.00 0.00 H new ATOM 721 N THR A 45 4.059 -13.181 -0.560 1.00 0.00 N ATOM 722 CA THR A 45 5.002 -12.556 -1.481 1.00 0.00 C ATOM 723 C THR A 45 4.348 -11.369 -2.180 1.00 0.00 C ATOM 724 O THR A 45 4.512 -11.174 -3.383 1.00 0.00 O ATOM 725 CB THR A 45 5.470 -13.568 -2.527 1.00 0.00 C ATOM 726 OG1 THR A 45 5.249 -14.885 -2.042 1.00 0.00 O ATOM 727 CG2 THR A 45 6.962 -13.366 -2.801 1.00 0.00 C ATOM 0 H THR A 45 3.093 -12.870 -0.665 1.00 0.00 H new ATOM 0 HA THR A 45 5.862 -12.207 -0.909 1.00 0.00 H new ATOM 0 HB THR A 45 4.910 -13.423 -3.451 1.00 0.00 H new ATOM 0 HG1 THR A 45 5.712 -15.000 -1.186 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.296 -14.087 -3.547 1.00 0.00 H new ATOM 0 HG22 THR A 45 7.130 -12.355 -3.173 1.00 0.00 H new ATOM 0 HG23 THR A 45 7.524 -13.511 -1.879 1.00 0.00 H new ATOM 735 N TYR A 46 3.604 -10.581 -1.414 1.00 0.00 N ATOM 736 CA TYR A 46 2.921 -9.416 -1.960 1.00 0.00 C ATOM 737 C TYR A 46 3.090 -8.220 -1.032 1.00 0.00 C ATOM 738 O TYR A 46 3.046 -7.068 -1.466 1.00 0.00 O ATOM 739 CB TYR A 46 1.433 -9.724 -2.122 1.00 0.00 C ATOM 740 CG TYR A 46 0.895 -10.255 -0.814 1.00 0.00 C ATOM 741 CD1 TYR A 46 1.046 -11.609 -0.496 1.00 0.00 C ATOM 742 CD2 TYR A 46 0.250 -9.394 0.081 1.00 0.00 C ATOM 743 CE1 TYR A 46 0.551 -12.103 0.716 1.00 0.00 C ATOM 744 CE2 TYR A 46 -0.246 -9.887 1.294 1.00 0.00 C ATOM 745 CZ TYR A 46 -0.096 -11.243 1.611 1.00 0.00 C ATOM 746 OH TYR A 46 -0.584 -11.733 2.806 1.00 0.00 O ATOM 0 H TYR A 46 3.459 -10.727 -0.415 1.00 0.00 H new ATOM 0 HA TYR A 46 3.356 -9.177 -2.930 1.00 0.00 H new ATOM 0 HB2 TYR A 46 0.892 -8.824 -2.414 1.00 0.00 H new ATOM 0 HB3 TYR A 46 1.284 -10.457 -2.915 1.00 0.00 H new ATOM 0 HD1 TYR A 46 1.545 -12.273 -1.186 1.00 0.00 H new ATOM 0 HD2 TYR A 46 0.135 -8.349 -0.164 1.00 0.00 H new ATOM 0 HE1 TYR A 46 0.668 -13.148 0.961 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -0.744 -9.222 1.985 1.00 0.00 H new ATOM 0 HH TYR A 46 -0.001 -11.446 3.540 1.00 0.00 H new ATOM 756 N HIS A 47 3.277 -8.507 0.252 1.00 0.00 N ATOM 757 CA HIS A 47 3.448 -7.456 1.247 1.00 0.00 C ATOM 758 C HIS A 47 4.331 -6.339 0.711 1.00 0.00 C ATOM 759 O HIS A 47 5.401 -6.588 0.158 1.00 0.00 O ATOM 760 CB HIS A 47 4.075 -8.036 2.516 1.00 0.00 C ATOM 761 CG HIS A 47 3.329 -9.278 2.921 1.00 0.00 C ATOM 762 ND1 HIS A 47 3.567 -10.609 2.684 1.00 0.00 N flip ATOM 763 CD2 HIS A 47 2.167 -9.229 3.673 1.00 0.00 C flip ATOM 764 CE1 HIS A 47 2.571 -11.376 3.281 1.00 0.00 C flip ATOM 765 NE2 HIS A 47 1.753 -10.495 3.863 1.00 0.00 N flip ATOM 0 H HIS A 47 3.314 -9.455 0.626 1.00 0.00 H new ATOM 0 HA HIS A 47 2.466 -7.044 1.478 1.00 0.00 H new ATOM 0 HB2 HIS A 47 5.125 -8.270 2.341 1.00 0.00 H new ATOM 0 HB3 HIS A 47 4.042 -7.301 3.320 1.00 0.00 H new ATOM 0 HD1 HIS A 47 4.354 -10.979 2.151 1.00 0.00 H new ATOM 0 HD2 HIS A 47 1.682 -8.337 4.040 1.00 0.00 H new ATOM 0 HE1 HIS A 47 2.479 -12.452 3.275 1.00 0.00 H new ATOM 774 N GLY A 48 3.876 -5.104 0.885 1.00 0.00 N ATOM 775 CA GLY A 48 4.634 -3.954 0.420 1.00 0.00 C ATOM 776 C GLY A 48 3.798 -2.684 0.467 1.00 0.00 C ATOM 777 O GLY A 48 2.704 -2.626 -0.094 1.00 0.00 O ATOM 0 H GLY A 48 2.993 -4.876 1.341 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.524 -3.829 1.037 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.975 -4.129 -0.600 1.00 0.00 H new ATOM 781 N HIS A 49 4.329 -1.664 1.129 1.00 0.00 N ATOM 782 CA HIS A 49 3.634 -0.389 1.230 1.00 0.00 C ATOM 783 C HIS A 49 4.617 0.762 1.064 1.00 0.00 C ATOM 784 O HIS A 49 5.796 0.649 1.401 1.00 0.00 O ATOM 785 CB HIS A 49 2.912 -0.267 2.576 1.00 0.00 C ATOM 786 CG HIS A 49 3.900 -0.404 3.700 1.00 0.00 C ATOM 787 ND1 HIS A 49 4.478 -1.618 4.036 1.00 0.00 N ATOM 788 CD2 HIS A 49 4.422 0.513 4.579 1.00 0.00 C ATOM 789 CE1 HIS A 49 5.306 -1.402 5.075 1.00 0.00 C ATOM 790 NE2 HIS A 49 5.308 -0.118 5.445 1.00 0.00 N ATOM 0 H HIS A 49 5.233 -1.695 1.601 1.00 0.00 H new ATOM 0 HA HIS A 49 2.892 -0.343 0.433 1.00 0.00 H new ATOM 0 HB2 HIS A 49 2.405 0.696 2.641 1.00 0.00 H new ATOM 0 HB3 HIS A 49 2.145 -1.037 2.658 1.00 0.00 H new ATOM 0 HD2 HIS A 49 4.181 1.566 4.595 1.00 0.00 H new ATOM 0 HE1 HIS A 49 5.896 -2.171 5.551 1.00 0.00 H new ATOM 0 HE2 HIS A 49 5.845 0.308 6.201 1.00 0.00 H new ATOM 799 N VAL A 50 4.115 1.868 0.532 1.00 0.00 N ATOM 800 CA VAL A 50 4.938 3.051 0.302 1.00 0.00 C ATOM 801 C VAL A 50 4.549 4.177 1.265 1.00 0.00 C ATOM 802 O VAL A 50 3.380 4.318 1.625 1.00 0.00 O ATOM 803 CB VAL A 50 4.757 3.510 -1.155 1.00 0.00 C ATOM 804 CG1 VAL A 50 4.703 5.036 -1.229 1.00 0.00 C ATOM 805 CG2 VAL A 50 5.929 3.007 -1.998 1.00 0.00 C ATOM 0 H VAL A 50 3.140 1.972 0.251 1.00 0.00 H new ATOM 0 HA VAL A 50 5.984 2.802 0.482 1.00 0.00 H new ATOM 0 HB VAL A 50 3.822 3.101 -1.538 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.575 5.346 -2.266 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.864 5.400 -0.635 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.632 5.452 -0.838 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.801 3.332 -3.030 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.861 3.411 -1.603 1.00 0.00 H new ATOM 0 HG23 VAL A 50 5.962 1.918 -1.962 1.00 0.00 H new ATOM 815 N ASP A 51 5.535 4.979 1.669 1.00 0.00 N ATOM 816 CA ASP A 51 5.277 6.093 2.582 1.00 0.00 C ATOM 817 C ASP A 51 5.968 7.366 2.097 1.00 0.00 C ATOM 818 O ASP A 51 7.117 7.334 1.657 1.00 0.00 O ATOM 819 CB ASP A 51 5.765 5.760 3.995 1.00 0.00 C ATOM 820 CG ASP A 51 5.318 4.356 4.388 1.00 0.00 C ATOM 821 OD1 ASP A 51 4.133 4.083 4.285 1.00 0.00 O ATOM 822 OD2 ASP A 51 6.166 3.575 4.787 1.00 0.00 O ATOM 0 H ASP A 51 6.509 4.880 1.382 1.00 0.00 H new ATOM 0 HA ASP A 51 4.200 6.258 2.603 1.00 0.00 H new ATOM 0 HB2 ASP A 51 6.852 5.829 4.038 1.00 0.00 H new ATOM 0 HB3 ASP A 51 5.371 6.487 4.705 1.00 0.00 H new ATOM 827 N TRP A 52 5.256 8.487 2.189 1.00 0.00 N ATOM 828 CA TRP A 52 5.803 9.774 1.768 1.00 0.00 C ATOM 829 C TRP A 52 5.963 10.696 2.972 1.00 0.00 C ATOM 830 O TRP A 52 5.116 10.711 3.865 1.00 0.00 O ATOM 831 CB TRP A 52 4.872 10.428 0.744 1.00 0.00 C ATOM 832 CG TRP A 52 5.210 9.942 -0.630 1.00 0.00 C ATOM 833 CD1 TRP A 52 5.422 8.649 -0.968 1.00 0.00 C ATOM 834 CD2 TRP A 52 5.376 10.718 -1.852 1.00 0.00 C ATOM 835 NE1 TRP A 52 5.710 8.583 -2.320 1.00 0.00 N ATOM 836 CE2 TRP A 52 5.694 9.832 -2.908 1.00 0.00 C ATOM 837 CE3 TRP A 52 5.283 12.091 -2.145 1.00 0.00 C ATOM 838 CZ2 TRP A 52 5.910 10.291 -4.209 1.00 0.00 C ATOM 839 CZ3 TRP A 52 5.501 12.556 -3.453 1.00 0.00 C ATOM 840 CH2 TRP A 52 5.815 11.657 -4.482 1.00 0.00 C ATOM 0 H TRP A 52 4.303 8.530 2.550 1.00 0.00 H new ATOM 0 HA TRP A 52 6.779 9.606 1.313 1.00 0.00 H new ATOM 0 HB2 TRP A 52 3.834 10.191 0.979 1.00 0.00 H new ATOM 0 HB3 TRP A 52 4.970 11.513 0.790 1.00 0.00 H new ATOM 0 HD1 TRP A 52 5.374 7.807 -0.293 1.00 0.00 H new ATOM 0 HE1 TRP A 52 5.910 7.717 -2.821 1.00 0.00 H new ATOM 0 HE3 TRP A 52 5.042 12.792 -1.359 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 6.149 9.594 -4.999 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 5.426 13.612 -3.667 1.00 0.00 H new ATOM 0 HH2 TRP A 52 5.983 12.021 -5.485 1.00 0.00 H new ATOM 851 N LEU A 53 7.049 11.466 2.997 1.00 0.00 N ATOM 852 CA LEU A 53 7.287 12.380 4.111 1.00 0.00 C ATOM 853 C LEU A 53 7.110 13.829 3.666 1.00 0.00 C ATOM 854 O LEU A 53 8.084 14.549 3.463 1.00 0.00 O ATOM 855 CB LEU A 53 8.708 12.197 4.647 1.00 0.00 C ATOM 856 CG LEU A 53 8.783 10.961 5.549 1.00 0.00 C ATOM 857 CD1 LEU A 53 8.154 11.275 6.907 1.00 0.00 C ATOM 858 CD2 LEU A 53 8.034 9.795 4.898 1.00 0.00 C ATOM 0 H LEU A 53 7.767 11.476 2.272 1.00 0.00 H new ATOM 0 HA LEU A 53 6.564 12.153 4.894 1.00 0.00 H new ATOM 0 HB2 LEU A 53 9.406 12.092 3.817 1.00 0.00 H new ATOM 0 HB3 LEU A 53 9.009 13.082 5.207 1.00 0.00 H new ATOM 0 HG LEU A 53 9.828 10.685 5.688 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.209 10.394 7.546 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.693 12.098 7.376 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.111 11.558 6.768 1.00 0.00 H new ATOM 0 HD21 LEU A 53 8.091 8.919 5.545 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.990 10.070 4.751 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.487 9.564 3.934 1.00 0.00 H new ATOM 870 N MET A 54 5.855 14.242 3.539 1.00 0.00 N ATOM 871 CA MET A 54 5.516 15.604 3.132 1.00 0.00 C ATOM 872 C MET A 54 6.599 16.222 2.253 1.00 0.00 C ATOM 873 O MET A 54 6.732 17.444 2.195 1.00 0.00 O ATOM 874 CB MET A 54 5.296 16.477 4.371 1.00 0.00 C ATOM 875 CG MET A 54 6.627 17.087 4.820 1.00 0.00 C ATOM 876 SD MET A 54 6.584 17.371 6.607 1.00 0.00 S ATOM 877 CE MET A 54 8.367 17.559 6.854 1.00 0.00 C ATOM 0 H MET A 54 5.045 13.647 3.714 1.00 0.00 H new ATOM 0 HA MET A 54 4.599 15.554 2.545 1.00 0.00 H new ATOM 0 HB2 MET A 54 4.580 17.268 4.147 1.00 0.00 H new ATOM 0 HB3 MET A 54 4.869 15.880 5.177 1.00 0.00 H new ATOM 0 HG2 MET A 54 7.450 16.419 4.566 1.00 0.00 H new ATOM 0 HG3 MET A 54 6.805 18.026 4.295 1.00 0.00 H new ATOM 0 HE1 MET A 54 8.571 17.746 7.908 1.00 0.00 H new ATOM 0 HE2 MET A 54 8.876 16.647 6.542 1.00 0.00 H new ATOM 0 HE3 MET A 54 8.730 18.398 6.260 1.00 0.00 H new ATOM 887 N TYR A 55 7.364 15.384 1.559 1.00 0.00 N ATOM 888 CA TYR A 55 8.417 15.894 0.690 1.00 0.00 C ATOM 889 C TYR A 55 9.252 14.755 0.101 1.00 0.00 C ATOM 890 O TYR A 55 9.667 14.816 -1.055 1.00 0.00 O ATOM 891 CB TYR A 55 9.311 16.872 1.471 1.00 0.00 C ATOM 892 CG TYR A 55 10.708 16.313 1.634 1.00 0.00 C ATOM 893 CD1 TYR A 55 10.982 15.398 2.658 1.00 0.00 C ATOM 894 CD2 TYR A 55 11.727 16.713 0.762 1.00 0.00 C ATOM 895 CE1 TYR A 55 12.275 14.883 2.808 1.00 0.00 C ATOM 896 CE2 TYR A 55 13.020 16.198 0.913 1.00 0.00 C ATOM 897 CZ TYR A 55 13.295 15.284 1.937 1.00 0.00 C ATOM 898 OH TYR A 55 14.569 14.777 2.086 1.00 0.00 O ATOM 0 H TYR A 55 7.277 14.368 1.580 1.00 0.00 H new ATOM 0 HA TYR A 55 7.950 16.423 -0.140 1.00 0.00 H new ATOM 0 HB2 TYR A 55 9.356 17.827 0.948 1.00 0.00 H new ATOM 0 HB3 TYR A 55 8.876 17.066 2.451 1.00 0.00 H new ATOM 0 HD1 TYR A 55 10.196 15.090 3.332 1.00 0.00 H new ATOM 0 HD2 TYR A 55 11.516 17.419 -0.027 1.00 0.00 H new ATOM 0 HE1 TYR A 55 12.486 14.176 3.596 1.00 0.00 H new ATOM 0 HE2 TYR A 55 13.806 16.506 0.239 1.00 0.00 H new ATOM 0 HH TYR A 55 14.578 13.832 1.825 1.00 0.00 H new ATOM 908 N THR A 56 9.499 13.720 0.900 1.00 0.00 N ATOM 909 CA THR A 56 10.290 12.586 0.433 1.00 0.00 C ATOM 910 C THR A 56 9.408 11.357 0.247 1.00 0.00 C ATOM 911 O THR A 56 8.351 11.237 0.867 1.00 0.00 O ATOM 912 CB THR A 56 11.408 12.274 1.433 1.00 0.00 C ATOM 913 OG1 THR A 56 12.533 13.092 1.150 1.00 0.00 O ATOM 914 CG2 THR A 56 11.809 10.803 1.315 1.00 0.00 C ATOM 0 H THR A 56 9.168 13.643 1.862 1.00 0.00 H new ATOM 0 HA THR A 56 10.732 12.849 -0.528 1.00 0.00 H new ATOM 0 HB THR A 56 11.054 12.472 2.445 1.00 0.00 H new ATOM 0 HG1 THR A 56 12.368 14.000 1.480 1.00 0.00 H new ATOM 0 HG21 THR A 56 12.604 10.584 2.028 1.00 0.00 H new ATOM 0 HG22 THR A 56 10.946 10.172 1.529 1.00 0.00 H new ATOM 0 HG23 THR A 56 12.163 10.602 0.304 1.00 0.00 H new ATOM 922 N ASP A 57 9.851 10.450 -0.618 1.00 0.00 N ATOM 923 CA ASP A 57 9.097 9.233 -0.890 1.00 0.00 C ATOM 924 C ASP A 57 9.861 8.005 -0.406 1.00 0.00 C ATOM 925 O ASP A 57 11.078 7.915 -0.561 1.00 0.00 O ATOM 926 CB ASP A 57 8.830 9.111 -2.392 1.00 0.00 C ATOM 927 CG ASP A 57 10.139 8.882 -3.139 1.00 0.00 C ATOM 928 OD1 ASP A 57 11.000 9.743 -3.064 1.00 0.00 O ATOM 929 OD2 ASP A 57 10.262 7.849 -3.775 1.00 0.00 O ATOM 0 H ASP A 57 10.723 10.534 -1.140 1.00 0.00 H new ATOM 0 HA ASP A 57 8.150 9.289 -0.354 1.00 0.00 H new ATOM 0 HB2 ASP A 57 8.145 8.285 -2.582 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.347 10.017 -2.758 1.00 0.00 H new ATOM 934 N ALA A 58 9.133 7.058 0.177 1.00 0.00 N ATOM 935 CA ALA A 58 9.745 5.833 0.678 1.00 0.00 C ATOM 936 C ALA A 58 9.106 4.615 0.019 1.00 0.00 C ATOM 937 O ALA A 58 7.966 4.675 -0.441 1.00 0.00 O ATOM 938 CB ALA A 58 9.573 5.747 2.197 1.00 0.00 C ATOM 0 H ALA A 58 8.124 7.115 0.314 1.00 0.00 H new ATOM 0 HA ALA A 58 10.808 5.849 0.436 1.00 0.00 H new ATOM 0 HB1 ALA A 58 10.033 4.829 2.564 1.00 0.00 H new ATOM 0 HB2 ALA A 58 10.052 6.606 2.667 1.00 0.00 H new ATOM 0 HB3 ALA A 58 8.511 5.745 2.443 1.00 0.00 H new ATOM 944 N LYS A 59 9.842 3.509 -0.019 1.00 0.00 N ATOM 945 CA LYS A 59 9.328 2.286 -0.621 1.00 0.00 C ATOM 946 C LYS A 59 9.746 1.074 0.190 1.00 0.00 C ATOM 947 O LYS A 59 10.902 0.953 0.596 1.00 0.00 O ATOM 948 CB LYS A 59 9.851 2.129 -2.047 1.00 0.00 C ATOM 949 CG LYS A 59 8.976 2.934 -3.005 1.00 0.00 C ATOM 950 CD LYS A 59 9.671 3.045 -4.360 1.00 0.00 C ATOM 951 CE LYS A 59 8.635 3.388 -5.429 1.00 0.00 C ATOM 952 NZ LYS A 59 9.325 3.624 -6.728 1.00 0.00 N ATOM 0 H LYS A 59 10.788 3.435 0.356 1.00 0.00 H new ATOM 0 HA LYS A 59 8.240 2.356 -0.637 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.884 2.472 -2.106 1.00 0.00 H new ATOM 0 HB3 LYS A 59 9.848 1.077 -2.332 1.00 0.00 H new ATOM 0 HG2 LYS A 59 8.006 2.451 -3.121 1.00 0.00 H new ATOM 0 HG3 LYS A 59 8.791 3.928 -2.597 1.00 0.00 H new ATOM 0 HD2 LYS A 59 10.443 3.814 -4.324 1.00 0.00 H new ATOM 0 HD3 LYS A 59 10.167 2.106 -4.606 1.00 0.00 H new ATOM 0 HE2 LYS A 59 7.916 2.575 -5.529 1.00 0.00 H new ATOM 0 HE3 LYS A 59 8.074 4.275 -5.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 8.621 3.858 -7.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 9.994 4.413 -6.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 9.842 2.766 -7.008 1.00 0.00 H new ATOM 966 N GLU A 60 8.807 0.167 0.411 1.00 0.00 N ATOM 967 CA GLU A 60 9.109 -1.039 1.162 1.00 0.00 C ATOM 968 C GLU A 60 8.388 -2.236 0.555 1.00 0.00 C ATOM 969 O GLU A 60 7.367 -2.684 1.070 1.00 0.00 O ATOM 970 CB GLU A 60 8.692 -0.859 2.624 1.00 0.00 C ATOM 971 CG GLU A 60 8.735 -2.212 3.342 1.00 0.00 C ATOM 972 CD GLU A 60 7.323 -2.753 3.551 1.00 0.00 C ATOM 973 OE1 GLU A 60 6.401 -2.182 2.995 1.00 0.00 O ATOM 974 OE2 GLU A 60 7.187 -3.732 4.265 1.00 0.00 O ATOM 0 H GLU A 60 7.843 0.241 0.086 1.00 0.00 H new ATOM 0 HA GLU A 60 10.183 -1.222 1.118 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.359 -0.152 3.118 1.00 0.00 H new ATOM 0 HB3 GLU A 60 7.687 -0.440 2.677 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.320 -2.922 2.757 1.00 0.00 H new ATOM 0 HG3 GLU A 60 9.235 -2.104 4.304 1.00 0.00 H new ATOM 981 N PHE A 61 8.932 -2.750 -0.542 1.00 0.00 N ATOM 982 CA PHE A 61 8.337 -3.900 -1.212 1.00 0.00 C ATOM 983 C PHE A 61 9.283 -5.097 -1.159 1.00 0.00 C ATOM 984 O PHE A 61 8.939 -6.150 -0.624 1.00 0.00 O ATOM 985 CB PHE A 61 8.027 -3.559 -2.671 1.00 0.00 C ATOM 986 CG PHE A 61 7.821 -4.834 -3.452 1.00 0.00 C ATOM 987 CD1 PHE A 61 6.985 -5.838 -2.946 1.00 0.00 C ATOM 988 CD2 PHE A 61 8.468 -5.016 -4.680 1.00 0.00 C ATOM 989 CE1 PHE A 61 6.796 -7.021 -3.671 1.00 0.00 C ATOM 990 CE2 PHE A 61 8.278 -6.199 -5.403 1.00 0.00 C ATOM 991 CZ PHE A 61 7.442 -7.201 -4.899 1.00 0.00 C ATOM 0 H PHE A 61 9.778 -2.392 -0.984 1.00 0.00 H new ATOM 0 HA PHE A 61 7.411 -4.155 -0.697 1.00 0.00 H new ATOM 0 HB2 PHE A 61 7.134 -2.936 -2.728 1.00 0.00 H new ATOM 0 HB3 PHE A 61 8.846 -2.983 -3.103 1.00 0.00 H new ATOM 0 HD1 PHE A 61 6.487 -5.700 -1.998 1.00 0.00 H new ATOM 0 HD2 PHE A 61 9.114 -4.243 -5.070 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.151 -7.795 -3.282 1.00 0.00 H new ATOM 0 HE2 PHE A 61 8.777 -6.338 -6.351 1.00 0.00 H new ATOM 0 HZ PHE A 61 7.295 -8.113 -5.458 1.00 0.00 H new ATOM 1001 N SER A 62 10.476 -4.924 -1.719 1.00 0.00 N ATOM 1002 CA SER A 62 11.466 -5.995 -1.728 1.00 0.00 C ATOM 1003 C SER A 62 12.095 -6.154 -0.348 1.00 0.00 C ATOM 1004 O SER A 62 11.642 -5.551 0.625 1.00 0.00 O ATOM 1005 CB SER A 62 12.556 -5.689 -2.755 1.00 0.00 C ATOM 1006 OG SER A 62 12.186 -6.241 -4.012 1.00 0.00 O ATOM 0 H SER A 62 10.779 -4.060 -2.169 1.00 0.00 H new ATOM 0 HA SER A 62 10.965 -6.925 -1.996 1.00 0.00 H new ATOM 0 HB2 SER A 62 12.695 -4.612 -2.845 1.00 0.00 H new ATOM 0 HB3 SER A 62 13.508 -6.107 -2.427 1.00 0.00 H new ATOM 0 HG SER A 62 12.882 -6.045 -4.673 1.00 0.00 H new ATOM 1012 N SER A 63 13.144 -6.968 -0.271 1.00 0.00 N ATOM 1013 CA SER A 63 13.829 -7.196 0.996 1.00 0.00 C ATOM 1014 C SER A 63 14.834 -6.081 1.270 1.00 0.00 C ATOM 1015 O SER A 63 14.933 -5.122 0.504 1.00 0.00 O ATOM 1016 CB SER A 63 14.556 -8.541 0.962 1.00 0.00 C ATOM 1017 OG SER A 63 15.374 -8.603 -0.197 1.00 0.00 O ATOM 0 H SER A 63 13.535 -7.477 -1.064 1.00 0.00 H new ATOM 0 HA SER A 63 13.085 -7.204 1.793 1.00 0.00 H new ATOM 0 HB2 SER A 63 15.165 -8.661 1.858 1.00 0.00 H new ATOM 0 HB3 SER A 63 13.834 -9.358 0.956 1.00 0.00 H new ATOM 0 HG SER A 63 15.843 -9.463 -0.221 1.00 0.00 H new ATOM 1023 N THR A 64 15.577 -6.212 2.364 1.00 0.00 N ATOM 1024 CA THR A 64 16.570 -5.207 2.723 1.00 0.00 C ATOM 1025 C THR A 64 17.855 -5.417 1.930 1.00 0.00 C ATOM 1026 CB THR A 64 16.872 -5.282 4.221 1.00 0.00 C ATOM 1027 OG1 THR A 64 17.633 -4.145 4.605 1.00 0.00 O ATOM 1028 CG2 THR A 64 17.666 -6.555 4.520 1.00 0.00 C ATOM 0 H THR A 64 15.511 -6.997 3.012 1.00 0.00 H new ATOM 0 HA THR A 64 16.167 -4.223 2.484 1.00 0.00 H new ATOM 0 HB THR A 64 15.937 -5.301 4.781 1.00 0.00 H new ATOM 0 HG1 THR A 64 17.826 -4.190 5.565 1.00 0.00 H new ATOM 0 HG21 THR A 64 17.881 -6.608 5.587 1.00 0.00 H new ATOM 0 HG22 THR A 64 17.082 -7.426 4.224 1.00 0.00 H new ATOM 0 HG23 THR A 64 18.602 -6.539 3.962 1.00 0.00 H new TER 1036 THR A 64 HETATM 1037 ZN ZN A1319 -6.396 -4.162 -6.851 1.00 0.00 ZN HETATM 1038 PG ATP A1318 3.052 0.814 11.129 1.00 0.00 P HETATM 1039 O1G ATP A1318 2.883 -0.366 12.008 1.00 0.00 O HETATM 1040 O2G ATP A1318 4.615 1.024 10.806 1.00 0.00 O HETATM 1041 O3G ATP A1318 2.465 2.123 11.859 1.00 0.00 O HETATM 1042 PB ATP A1318 0.699 0.391 10.136 1.00 0.00 P HETATM 1043 O1B ATP A1318 0.469 0.832 11.532 1.00 0.00 O HETATM 1044 O2B ATP A1318 -0.210 1.273 9.141 1.00 0.00 O HETATM 1045 O3B ATP A1318 2.252 0.570 9.752 1.00 0.00 O HETATM 1046 PA ATP A1318 0.810 -1.640 8.550 1.00 0.00 P HETATM 1047 O1A ATP A1318 2.265 -1.902 8.602 1.00 0.00 O HETATM 1048 O2A ATP A1318 0.509 -0.494 7.457 1.00 0.00 O HETATM 1049 O3A ATP A1318 0.292 -1.159 9.994 1.00 0.00 O HETATM 1050 O5' ATP A1318 0.042 -2.990 8.133 1.00 0.00 O HETATM 1051 C5' ATP A1318 0.219 -3.152 6.728 1.00 0.00 C HETATM 1052 C4' ATP A1318 1.489 -3.959 6.463 1.00 0.00 C HETATM 1053 O4' ATP A1318 1.192 -5.194 5.754 1.00 0.00 O HETATM 1054 C3' ATP A1318 2.488 -3.169 5.602 1.00 0.00 C HETATM 1055 O3' ATP A1318 3.809 -3.262 6.141 1.00 0.00 O HETATM 1056 C2' ATP A1318 2.391 -3.784 4.200 1.00 0.00 C HETATM 1057 O2' ATP A1318 3.684 -4.181 3.736 1.00 0.00 O HETATM 1058 C1' ATP A1318 1.434 -4.985 4.334 1.00 0.00 C HETATM 1059 N9 ATP A1318 0.169 -4.720 3.630 1.00 0.00 N HETATM 1060 C8 ATP A1318 -1.045 -4.484 4.212 1.00 0.00 C HETATM 1061 N7 ATP A1318 -1.916 -4.144 3.307 1.00 0.00 N HETATM 1062 C5 ATP A1318 -1.372 -4.318 2.082 1.00 0.00 C HETATM 1063 C6 ATP A1318 -1.836 -4.226 0.744 1.00 0.00 C HETATM 1064 N6 ATP A1318 -3.164 -3.944 0.487 1.00 0.00 N HETATM 1065 N1 ATP A1318 -0.959 -4.415 -0.274 1.00 0.00 N HETATM 1066 C2 ATP A1318 0.303 -4.808 -0.058 1.00 0.00 C HETATM 1067 N3 ATP A1318 0.780 -4.897 1.188 1.00 0.00 N HETATM 1068 C4 ATP A1318 -0.012 -4.677 2.269 1.00 0.00 C HETATM 0 HO3' ATP A1318 4.376 -3.777 5.530 1.00 0.00 H new HETATM 0 HO2' ATP A1318 4.203 -3.386 3.494 1.00 0.00 H new HETATM 0 HN62 ATP A1318 -3.494 -3.879 -0.476 1.00 0.00 H new HETATM 0 HN61 ATP A1318 -3.814 -3.801 1.260 1.00 0.00 H new HETATM 0 H5'2 ATP A1318 -0.644 -3.661 6.298 1.00 0.00 H new HETATM 0 H5'1 ATP A1318 0.287 -2.177 6.245 1.00 0.00 H new HETATM 0 H8 ATP A1318 -1.253 -4.568 5.279 1.00 0.00 H new HETATM 0 H4' ATP A1318 1.920 -4.175 7.441 1.00 0.00 H new HETATM 0 H3' ATP A1318 2.259 -2.104 5.577 1.00 0.00 H new HETATM 0 H2' ATP A1318 2.015 -3.072 3.466 1.00 0.00 H new HETATM 0 H2 ATP A1318 0.945 -5.057 -0.903 1.00 0.00 H new HETATM 0 H1' ATP A1318 1.876 -5.875 3.886 1.00 0.00 H new