USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 601 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 34 HIS HE2 : A 34 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 39 HIS HE2 : A 39 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 61 ASN : amide:sc= -1.1 K(o=-1.1,f=-0.24) USER MOD Set 1.2: A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -113:sc= 0.0773 (180deg=0) USER MOD Single : A 2 SER OG : rot 16:sc= 1.05 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 48:sc= 1.13 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= -0.801 K(o=-0.8,f=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.045 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -0.37 K(o=-0.37,f=-1) USER MOD Single : A 23 LYS NZ :NH3+ 154:sc= -0.0852 (180deg=-0.574) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 33 MET CE :methyl -142:sc= -0.461 (180deg=-4.85!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.0502 X(o=-0.05,f=-0.44) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.672) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl -179:sc= 0 (180deg=-0.00358) USER MOD Single : A 66 HIS : no HE2:sc= -2.99! K(o=-3!,f=-1.8) USER MOD Single : A 69 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 80 ASN : amide:sc= -1.01 K(o=-1,f=-5.4!) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.753 -14.850 17.121 1.00 0.00 N ATOM 2 CA GLY A 1 -3.445 -15.739 16.206 1.00 0.00 C ATOM 3 C GLY A 1 -4.269 -14.988 15.179 1.00 0.00 C ATOM 4 O GLY A 1 -4.496 -13.786 15.315 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.727 -14.921 16.965 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.062 -13.871 16.954 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.973 -15.120 18.101 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.716 -16.367 15.694 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.096 -16.404 16.773 1.00 0.00 H new ATOM 8 N SER A 2 -4.717 -15.698 14.149 1.00 0.00 N ATOM 9 CA SER A 2 -5.516 -15.090 13.091 1.00 0.00 C ATOM 10 C SER A 2 -6.137 -16.158 12.197 1.00 0.00 C ATOM 11 O SER A 2 -5.433 -16.867 11.478 1.00 0.00 O ATOM 12 CB SER A 2 -4.655 -14.144 12.252 1.00 0.00 C ATOM 13 OG SER A 2 -3.751 -14.867 11.435 1.00 0.00 O ATOM 0 H SER A 2 -4.540 -16.695 14.024 1.00 0.00 H new ATOM 0 HA SER A 2 -6.319 -14.520 13.558 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.296 -13.521 11.628 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.100 -13.473 12.908 1.00 0.00 H new ATOM 0 HG SER A 2 -4.029 -15.806 11.391 1.00 0.00 H new ATOM 19 N SER A 3 -7.461 -16.267 12.248 1.00 0.00 N ATOM 20 CA SER A 3 -8.178 -17.251 11.446 1.00 0.00 C ATOM 21 C SER A 3 -9.439 -16.643 10.839 1.00 0.00 C ATOM 22 O SER A 3 -9.947 -15.631 11.320 1.00 0.00 O ATOM 23 CB SER A 3 -8.545 -18.467 12.299 1.00 0.00 C ATOM 24 OG SER A 3 -8.781 -19.606 11.490 1.00 0.00 O ATOM 0 H SER A 3 -8.058 -15.686 12.836 1.00 0.00 H new ATOM 0 HA SER A 3 -7.522 -17.569 10.636 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.740 -18.678 13.003 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.434 -18.246 12.889 1.00 0.00 H new ATOM 0 HG SER A 3 -9.012 -20.369 12.059 1.00 0.00 H new ATOM 30 N GLY A 4 -9.939 -17.268 9.777 1.00 0.00 N ATOM 31 CA GLY A 4 -11.135 -16.775 9.121 1.00 0.00 C ATOM 32 C GLY A 4 -12.121 -17.882 8.805 1.00 0.00 C ATOM 33 O GLY A 4 -11.896 -18.683 7.897 1.00 0.00 O ATOM 0 H GLY A 4 -9.536 -18.107 9.360 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.617 -16.035 9.760 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.856 -16.267 8.198 1.00 0.00 H new ATOM 37 N SER A 5 -13.217 -17.929 9.556 1.00 0.00 N ATOM 38 CA SER A 5 -14.238 -18.950 9.354 1.00 0.00 C ATOM 39 C SER A 5 -15.597 -18.312 9.079 1.00 0.00 C ATOM 40 O SER A 5 -16.392 -18.099 9.994 1.00 0.00 O ATOM 41 CB SER A 5 -14.329 -19.860 10.581 1.00 0.00 C ATOM 42 OG SER A 5 -14.751 -19.135 11.723 1.00 0.00 O ATOM 0 H SER A 5 -13.420 -17.272 10.309 1.00 0.00 H new ATOM 0 HA SER A 5 -13.954 -19.547 8.487 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.028 -20.673 10.384 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.357 -20.315 10.773 1.00 0.00 H new ATOM 0 HG SER A 5 -15.538 -18.597 11.496 1.00 0.00 H new ATOM 48 N SER A 6 -15.855 -18.010 7.810 1.00 0.00 N ATOM 49 CA SER A 6 -17.115 -17.393 7.413 1.00 0.00 C ATOM 50 C SER A 6 -17.409 -17.658 5.939 1.00 0.00 C ATOM 51 O SER A 6 -16.572 -18.195 5.215 1.00 0.00 O ATOM 52 CB SER A 6 -17.074 -15.886 7.673 1.00 0.00 C ATOM 53 OG SER A 6 -16.018 -15.273 6.953 1.00 0.00 O ATOM 0 H SER A 6 -15.209 -18.183 7.040 1.00 0.00 H new ATOM 0 HA SER A 6 -17.912 -17.836 8.010 1.00 0.00 H new ATOM 0 HB2 SER A 6 -18.024 -15.438 7.383 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.947 -15.701 8.740 1.00 0.00 H new ATOM 0 HG SER A 6 -16.014 -14.310 7.135 1.00 0.00 H new ATOM 59 N GLY A 7 -18.605 -17.277 5.503 1.00 0.00 N ATOM 60 CA GLY A 7 -18.990 -17.481 4.118 1.00 0.00 C ATOM 61 C GLY A 7 -18.436 -16.411 3.199 1.00 0.00 C ATOM 62 O GLY A 7 -18.148 -15.297 3.635 1.00 0.00 O ATOM 0 H GLY A 7 -19.315 -16.831 6.084 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -18.638 -18.458 3.786 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -20.077 -17.492 4.044 1.00 0.00 H new ATOM 66 N ARG A 8 -18.284 -16.751 1.923 1.00 0.00 N ATOM 67 CA ARG A 8 -17.758 -15.811 0.940 1.00 0.00 C ATOM 68 C ARG A 8 -18.462 -14.462 1.046 1.00 0.00 C ATOM 69 O ARG A 8 -17.817 -13.419 1.163 1.00 0.00 O ATOM 70 CB ARG A 8 -17.921 -16.374 -0.474 1.00 0.00 C ATOM 71 CG ARG A 8 -16.920 -17.465 -0.814 1.00 0.00 C ATOM 72 CD ARG A 8 -16.662 -17.537 -2.311 1.00 0.00 C ATOM 73 NE ARG A 8 -17.652 -18.362 -2.998 1.00 0.00 N ATOM 74 CZ ARG A 8 -17.584 -19.687 -3.066 1.00 0.00 C ATOM 75 NH1 ARG A 8 -16.579 -20.334 -2.492 1.00 0.00 N ATOM 76 NH2 ARG A 8 -18.524 -20.368 -3.710 1.00 0.00 N ATOM 0 H ARG A 8 -18.517 -17.670 1.546 1.00 0.00 H new ATOM 0 HA ARG A 8 -16.698 -15.665 1.146 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -18.930 -16.771 -0.584 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -17.819 -15.562 -1.193 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -15.983 -17.276 -0.291 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -17.294 -18.426 -0.461 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -16.675 -16.531 -2.730 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -15.666 -17.943 -2.488 1.00 0.00 H new ATOM 0 HE ARG A 8 -18.438 -17.896 -3.450 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -15.855 -19.814 -1.996 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -16.530 -21.351 -2.546 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -19.299 -19.874 -4.153 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -18.472 -21.385 -3.762 1.00 0.00 H new ATOM 90 N THR A 9 -19.791 -14.488 1.004 1.00 0.00 N ATOM 91 CA THR A 9 -20.582 -13.268 1.094 1.00 0.00 C ATOM 92 C THR A 9 -20.196 -12.451 2.321 1.00 0.00 C ATOM 93 O THR A 9 -19.641 -12.982 3.283 1.00 0.00 O ATOM 94 CB THR A 9 -22.090 -13.580 1.152 1.00 0.00 C ATOM 95 OG1 THR A 9 -22.360 -14.493 2.222 1.00 0.00 O ATOM 96 CG2 THR A 9 -22.571 -14.175 -0.163 1.00 0.00 C ATOM 0 H THR A 9 -20.341 -15.341 0.908 1.00 0.00 H new ATOM 0 HA THR A 9 -20.372 -12.688 0.195 1.00 0.00 H new ATOM 0 HB THR A 9 -22.625 -12.647 1.327 1.00 0.00 H new ATOM 0 HG1 THR A 9 -23.320 -14.685 2.254 1.00 0.00 H new ATOM 0 HG21 THR A 9 -23.638 -14.387 -0.098 1.00 0.00 H new ATOM 0 HG22 THR A 9 -22.391 -13.466 -0.971 1.00 0.00 H new ATOM 0 HG23 THR A 9 -22.029 -15.099 -0.364 1.00 0.00 H new ATOM 104 N HIS A 10 -20.493 -11.156 2.281 1.00 0.00 N ATOM 105 CA HIS A 10 -20.178 -10.265 3.392 1.00 0.00 C ATOM 106 C HIS A 10 -21.431 -9.550 3.888 1.00 0.00 C ATOM 107 O HIS A 10 -22.480 -9.594 3.245 1.00 0.00 O ATOM 108 CB HIS A 10 -19.126 -9.239 2.968 1.00 0.00 C ATOM 109 CG HIS A 10 -17.720 -9.743 3.079 1.00 0.00 C ATOM 110 ND1 HIS A 10 -16.643 -8.919 3.333 1.00 0.00 N ATOM 111 CD2 HIS A 10 -17.216 -10.995 2.971 1.00 0.00 C ATOM 112 CE1 HIS A 10 -15.538 -9.643 3.375 1.00 0.00 C ATOM 113 NE2 HIS A 10 -15.859 -10.906 3.159 1.00 0.00 N ATOM 0 H HIS A 10 -20.951 -10.700 1.492 1.00 0.00 H new ATOM 0 HA HIS A 10 -19.779 -10.869 4.207 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -19.316 -8.941 1.937 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -19.233 -8.346 3.583 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -17.777 -11.896 2.774 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -14.542 -9.266 3.555 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -15.205 -11.688 3.136 1.00 0.00 H new ATOM 121 N THR A 11 -21.315 -8.891 5.038 1.00 0.00 N ATOM 122 CA THR A 11 -22.438 -8.169 5.621 1.00 0.00 C ATOM 123 C THR A 11 -21.992 -6.831 6.198 1.00 0.00 C ATOM 124 O THR A 11 -20.810 -6.624 6.469 1.00 0.00 O ATOM 125 CB THR A 11 -23.120 -8.992 6.731 1.00 0.00 C ATOM 126 OG1 THR A 11 -24.319 -8.337 7.159 1.00 0.00 O ATOM 127 CG2 THR A 11 -22.186 -9.178 7.917 1.00 0.00 C ATOM 0 H THR A 11 -20.454 -8.843 5.583 1.00 0.00 H new ATOM 0 HA THR A 11 -23.153 -7.994 4.817 1.00 0.00 H new ATOM 0 HB THR A 11 -23.367 -9.973 6.326 1.00 0.00 H new ATOM 0 HG1 THR A 11 -24.748 -8.867 7.863 1.00 0.00 H new ATOM 0 HG21 THR A 11 -22.689 -9.762 8.688 1.00 0.00 H new ATOM 0 HG22 THR A 11 -21.287 -9.702 7.593 1.00 0.00 H new ATOM 0 HG23 THR A 11 -21.912 -8.203 8.321 1.00 0.00 H new ATOM 135 N GLY A 12 -22.945 -5.923 6.384 1.00 0.00 N ATOM 136 CA GLY A 12 -22.630 -4.616 6.928 1.00 0.00 C ATOM 137 C GLY A 12 -22.836 -3.503 5.920 1.00 0.00 C ATOM 138 O GLY A 12 -23.558 -3.672 4.939 1.00 0.00 O ATOM 0 H GLY A 12 -23.931 -6.070 6.167 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -23.254 -4.430 7.802 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -21.594 -4.607 7.268 1.00 0.00 H new ATOM 142 N GLU A 13 -22.200 -2.361 6.163 1.00 0.00 N ATOM 143 CA GLU A 13 -22.320 -1.215 5.269 1.00 0.00 C ATOM 144 C GLU A 13 -20.961 -0.561 5.037 1.00 0.00 C ATOM 145 O GLU A 13 -20.079 -0.614 5.894 1.00 0.00 O ATOM 146 CB GLU A 13 -23.299 -0.190 5.846 1.00 0.00 C ATOM 147 CG GLU A 13 -22.768 0.537 7.070 1.00 0.00 C ATOM 148 CD GLU A 13 -23.868 1.194 7.881 1.00 0.00 C ATOM 149 OE1 GLU A 13 -24.533 0.485 8.665 1.00 0.00 O ATOM 150 OE2 GLU A 13 -24.063 2.419 7.732 1.00 0.00 O ATOM 0 H GLU A 13 -21.597 -2.205 6.971 1.00 0.00 H new ATOM 0 HA GLU A 13 -22.700 -1.572 4.312 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -23.541 0.542 5.076 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -24.228 -0.696 6.109 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -22.228 -0.169 7.701 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -22.051 1.296 6.755 1.00 0.00 H new ATOM 157 N LYS A 14 -20.799 0.055 3.871 1.00 0.00 N ATOM 158 CA LYS A 14 -19.549 0.720 3.524 1.00 0.00 C ATOM 159 C LYS A 14 -19.722 2.236 3.517 1.00 0.00 C ATOM 160 O LYS A 14 -20.247 2.820 2.568 1.00 0.00 O ATOM 161 CB LYS A 14 -19.058 0.246 2.154 1.00 0.00 C ATOM 162 CG LYS A 14 -18.609 -1.205 2.137 1.00 0.00 C ATOM 163 CD LYS A 14 -18.568 -1.760 0.724 1.00 0.00 C ATOM 164 CE LYS A 14 -17.733 -3.029 0.647 1.00 0.00 C ATOM 165 NZ LYS A 14 -18.218 -3.948 -0.419 1.00 0.00 N ATOM 0 H LYS A 14 -21.518 0.107 3.150 1.00 0.00 H new ATOM 0 HA LYS A 14 -18.807 0.460 4.279 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -19.857 0.379 1.425 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -18.229 0.878 1.836 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -17.621 -1.286 2.589 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -19.288 -1.804 2.744 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -19.582 -1.970 0.385 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -18.155 -1.010 0.049 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -16.692 -2.768 0.455 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -17.761 -3.541 1.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -17.623 -4.801 -0.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -19.203 -4.218 -0.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -18.167 -3.468 -1.340 1.00 0.00 H new ATOM 179 N PRO A 15 -19.271 2.889 4.598 1.00 0.00 N ATOM 180 CA PRO A 15 -19.364 4.345 4.739 1.00 0.00 C ATOM 181 C PRO A 15 -18.431 5.081 3.783 1.00 0.00 C ATOM 182 O PRO A 15 -18.730 6.188 3.337 1.00 0.00 O ATOM 183 CB PRO A 15 -18.944 4.588 6.190 1.00 0.00 C ATOM 184 CG PRO A 15 -18.081 3.423 6.535 1.00 0.00 C ATOM 185 CD PRO A 15 -18.635 2.256 5.765 1.00 0.00 C ATOM 0 HA PRO A 15 -20.362 4.715 4.502 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -18.401 5.527 6.293 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -19.811 4.647 6.848 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -17.043 3.612 6.263 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -18.099 3.227 7.607 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -17.849 1.562 5.467 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -19.354 1.689 6.356 1.00 0.00 H new ATOM 193 N TYR A 16 -17.299 4.458 3.472 1.00 0.00 N ATOM 194 CA TYR A 16 -16.321 5.055 2.571 1.00 0.00 C ATOM 195 C TYR A 16 -16.789 4.965 1.122 1.00 0.00 C ATOM 196 O TYR A 16 -16.648 3.928 0.475 1.00 0.00 O ATOM 197 CB TYR A 16 -14.966 4.362 2.724 1.00 0.00 C ATOM 198 CG TYR A 16 -14.446 4.357 4.144 1.00 0.00 C ATOM 199 CD1 TYR A 16 -14.885 3.411 5.062 1.00 0.00 C ATOM 200 CD2 TYR A 16 -13.513 5.297 4.566 1.00 0.00 C ATOM 201 CE1 TYR A 16 -14.413 3.404 6.360 1.00 0.00 C ATOM 202 CE2 TYR A 16 -13.035 5.296 5.862 1.00 0.00 C ATOM 203 CZ TYR A 16 -13.488 4.347 6.756 1.00 0.00 C ATOM 204 OH TYR A 16 -13.014 4.342 8.047 1.00 0.00 O ATOM 0 H TYR A 16 -17.037 3.540 3.831 1.00 0.00 H new ATOM 0 HA TYR A 16 -16.216 6.107 2.836 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -15.052 3.333 2.374 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -14.239 4.858 2.081 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -15.607 2.669 4.756 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -13.156 6.041 3.869 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -14.767 2.663 7.062 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -12.311 6.034 6.174 1.00 0.00 H new ATOM 0 HH TYR A 16 -12.369 5.071 8.161 1.00 0.00 H new ATOM 214 N ALA A 17 -17.348 6.061 0.619 1.00 0.00 N ATOM 215 CA ALA A 17 -17.836 6.109 -0.754 1.00 0.00 C ATOM 216 C ALA A 17 -16.958 7.008 -1.618 1.00 0.00 C ATOM 217 O ALA A 17 -16.872 8.215 -1.389 1.00 0.00 O ATOM 218 CB ALA A 17 -19.279 6.590 -0.785 1.00 0.00 C ATOM 0 H ALA A 17 -17.474 6.928 1.142 1.00 0.00 H new ATOM 0 HA ALA A 17 -17.792 5.100 -1.164 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -19.630 6.621 -1.816 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -19.903 5.906 -0.210 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -19.339 7.588 -0.351 1.00 0.00 H new ATOM 224 N CYS A 18 -16.305 6.412 -2.611 1.00 0.00 N ATOM 225 CA CYS A 18 -15.432 7.158 -3.508 1.00 0.00 C ATOM 226 C CYS A 18 -16.176 8.330 -4.141 1.00 0.00 C ATOM 227 O CYS A 18 -17.378 8.252 -4.395 1.00 0.00 O ATOM 228 CB CYS A 18 -14.883 6.239 -4.601 1.00 0.00 C ATOM 229 SG CYS A 18 -13.443 6.915 -5.488 1.00 0.00 S ATOM 0 H CYS A 18 -16.365 5.414 -2.814 1.00 0.00 H new ATOM 0 HA CYS A 18 -14.601 7.551 -2.922 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -14.605 5.285 -4.153 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -15.676 6.034 -5.320 1.00 0.00 H new ATOM 234 N SER A 19 -15.453 9.416 -4.395 1.00 0.00 N ATOM 235 CA SER A 19 -16.044 10.606 -4.995 1.00 0.00 C ATOM 236 C SER A 19 -16.105 10.475 -6.514 1.00 0.00 C ATOM 237 O SER A 19 -17.169 10.617 -7.119 1.00 0.00 O ATOM 238 CB SER A 19 -15.241 11.850 -4.611 1.00 0.00 C ATOM 239 OG SER A 19 -15.617 12.324 -3.329 1.00 0.00 O ATOM 0 H SER A 19 -14.456 9.496 -4.194 1.00 0.00 H new ATOM 0 HA SER A 19 -17.061 10.707 -4.615 1.00 0.00 H new ATOM 0 HB2 SER A 19 -14.176 11.616 -4.618 1.00 0.00 H new ATOM 0 HB3 SER A 19 -15.400 12.633 -5.353 1.00 0.00 H new ATOM 0 HG SER A 19 -15.088 13.118 -3.106 1.00 0.00 H new ATOM 245 N HIS A 20 -14.956 10.204 -7.125 1.00 0.00 N ATOM 246 CA HIS A 20 -14.878 10.053 -8.574 1.00 0.00 C ATOM 247 C HIS A 20 -15.957 9.101 -9.080 1.00 0.00 C ATOM 248 O HIS A 20 -16.576 9.342 -10.116 1.00 0.00 O ATOM 249 CB HIS A 20 -13.496 9.540 -8.980 1.00 0.00 C ATOM 250 CG HIS A 20 -12.492 10.630 -9.198 1.00 0.00 C ATOM 251 ND1 HIS A 20 -12.286 11.654 -8.297 1.00 0.00 N ATOM 252 CD2 HIS A 20 -11.634 10.851 -10.220 1.00 0.00 C ATOM 253 CE1 HIS A 20 -11.345 12.459 -8.757 1.00 0.00 C ATOM 254 NE2 HIS A 20 -10.932 11.994 -9.923 1.00 0.00 N ATOM 0 H HIS A 20 -14.067 10.085 -6.640 1.00 0.00 H new ATOM 0 HA HIS A 20 -15.041 11.031 -9.026 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -13.126 8.866 -8.207 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -13.589 8.955 -9.895 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -11.522 10.242 -11.105 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -10.976 13.346 -8.264 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -10.210 12.415 -10.507 1.00 0.00 H new ATOM 262 N CYS A 21 -16.176 8.017 -8.343 1.00 0.00 N ATOM 263 CA CYS A 21 -17.178 7.027 -8.717 1.00 0.00 C ATOM 264 C CYS A 21 -18.186 6.820 -7.589 1.00 0.00 C ATOM 265 O CYS A 21 -18.101 7.462 -6.542 1.00 0.00 O ATOM 266 CB CYS A 21 -16.507 5.697 -9.066 1.00 0.00 C ATOM 267 SG CYS A 21 -15.638 4.914 -7.669 1.00 0.00 S ATOM 0 H CYS A 21 -15.672 7.802 -7.483 1.00 0.00 H new ATOM 0 HA CYS A 21 -17.710 7.399 -9.593 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -17.264 5.008 -9.442 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -15.796 5.862 -9.876 1.00 0.00 H new ATOM 272 N ASP A 22 -19.138 5.921 -7.812 1.00 0.00 N ATOM 273 CA ASP A 22 -20.161 5.628 -6.814 1.00 0.00 C ATOM 274 C ASP A 22 -19.861 4.315 -6.098 1.00 0.00 C ATOM 275 O ASP A 22 -20.773 3.592 -5.694 1.00 0.00 O ATOM 276 CB ASP A 22 -21.540 5.561 -7.472 1.00 0.00 C ATOM 277 CG ASP A 22 -22.662 5.476 -6.457 1.00 0.00 C ATOM 278 OD1 ASP A 22 -22.932 6.493 -5.784 1.00 0.00 O ATOM 279 OD2 ASP A 22 -23.271 4.393 -6.335 1.00 0.00 O ATOM 0 H ASP A 22 -19.223 5.383 -8.674 1.00 0.00 H new ATOM 0 HA ASP A 22 -20.157 6.432 -6.078 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -21.685 6.443 -8.096 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -21.583 4.694 -8.131 1.00 0.00 H new ATOM 284 N LYS A 23 -18.577 4.010 -5.944 1.00 0.00 N ATOM 285 CA LYS A 23 -18.155 2.784 -5.277 1.00 0.00 C ATOM 286 C LYS A 23 -18.043 2.996 -3.770 1.00 0.00 C ATOM 287 O LYS A 23 -17.890 4.124 -3.301 1.00 0.00 O ATOM 288 CB LYS A 23 -16.812 2.310 -5.837 1.00 0.00 C ATOM 289 CG LYS A 23 -16.896 1.793 -7.263 1.00 0.00 C ATOM 290 CD LYS A 23 -17.025 0.280 -7.300 1.00 0.00 C ATOM 291 CE LYS A 23 -18.479 -0.158 -7.230 1.00 0.00 C ATOM 292 NZ LYS A 23 -19.246 0.271 -8.432 1.00 0.00 N ATOM 0 H LYS A 23 -17.810 4.596 -6.273 1.00 0.00 H new ATOM 0 HA LYS A 23 -18.909 2.020 -5.464 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -16.101 3.135 -5.800 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -16.419 1.521 -5.196 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -17.752 2.245 -7.765 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -16.006 2.097 -7.814 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -16.573 -0.102 -8.215 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -16.473 -0.154 -6.466 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -18.527 -1.243 -7.137 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -18.942 0.260 -6.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -20.049 -0.373 -8.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -19.600 1.239 -8.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -18.626 0.247 -9.266 1.00 0.00 H new ATOM 306 N THR A 24 -18.118 1.904 -3.016 1.00 0.00 N ATOM 307 CA THR A 24 -18.025 1.970 -1.563 1.00 0.00 C ATOM 308 C THR A 24 -17.096 0.890 -1.022 1.00 0.00 C ATOM 309 O THR A 24 -16.849 -0.119 -1.683 1.00 0.00 O ATOM 310 CB THR A 24 -19.409 1.818 -0.904 1.00 0.00 C ATOM 311 OG1 THR A 24 -19.979 0.550 -1.247 1.00 0.00 O ATOM 312 CG2 THR A 24 -20.343 2.935 -1.344 1.00 0.00 C ATOM 0 H THR A 24 -18.243 0.963 -3.388 1.00 0.00 H new ATOM 0 HA THR A 24 -17.619 2.951 -1.317 1.00 0.00 H new ATOM 0 HB THR A 24 -19.281 1.877 0.177 1.00 0.00 H new ATOM 0 HG1 THR A 24 -20.858 0.461 -0.823 1.00 0.00 H new ATOM 0 HG21 THR A 24 -21.314 2.807 -0.866 1.00 0.00 H new ATOM 0 HG22 THR A 24 -19.921 3.897 -1.055 1.00 0.00 H new ATOM 0 HG23 THR A 24 -20.464 2.902 -2.427 1.00 0.00 H new ATOM 320 N PHE A 25 -16.583 1.107 0.184 1.00 0.00 N ATOM 321 CA PHE A 25 -15.679 0.151 0.814 1.00 0.00 C ATOM 322 C PHE A 25 -15.808 0.202 2.334 1.00 0.00 C ATOM 323 O PHE A 25 -16.300 1.182 2.894 1.00 0.00 O ATOM 324 CB PHE A 25 -14.233 0.437 0.404 1.00 0.00 C ATOM 325 CG PHE A 25 -14.070 0.714 -1.063 1.00 0.00 C ATOM 326 CD1 PHE A 25 -14.445 1.936 -1.598 1.00 0.00 C ATOM 327 CD2 PHE A 25 -13.542 -0.249 -1.909 1.00 0.00 C ATOM 328 CE1 PHE A 25 -14.296 2.194 -2.947 1.00 0.00 C ATOM 329 CE2 PHE A 25 -13.390 0.003 -3.259 1.00 0.00 C ATOM 330 CZ PHE A 25 -13.769 1.225 -3.779 1.00 0.00 C ATOM 0 H PHE A 25 -16.778 1.936 0.745 1.00 0.00 H new ATOM 0 HA PHE A 25 -15.954 -0.848 0.476 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -13.866 1.293 0.970 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -13.611 -0.416 0.676 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -14.859 2.696 -0.952 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -13.246 -1.207 -1.508 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -14.591 3.151 -3.350 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -12.975 -0.755 -3.907 1.00 0.00 H new ATOM 0 HZ PHE A 25 -13.654 1.423 -4.834 1.00 0.00 H new ATOM 340 N ARG A 26 -15.363 -0.861 2.995 1.00 0.00 N ATOM 341 CA ARG A 26 -15.429 -0.940 4.450 1.00 0.00 C ATOM 342 C ARG A 26 -14.338 -0.087 5.090 1.00 0.00 C ATOM 343 O ARG A 26 -14.625 0.828 5.861 1.00 0.00 O ATOM 344 CB ARG A 26 -15.293 -2.392 4.910 1.00 0.00 C ATOM 345 CG ARG A 26 -15.898 -2.657 6.279 1.00 0.00 C ATOM 346 CD ARG A 26 -15.615 -4.075 6.749 1.00 0.00 C ATOM 347 NE ARG A 26 -16.392 -5.063 6.005 1.00 0.00 N ATOM 348 CZ ARG A 26 -17.708 -5.199 6.117 1.00 0.00 C ATOM 349 NH1 ARG A 26 -18.391 -4.413 6.938 1.00 0.00 N ATOM 350 NH2 ARG A 26 -18.344 -6.121 5.407 1.00 0.00 N ATOM 0 H ARG A 26 -14.953 -1.680 2.547 1.00 0.00 H new ATOM 0 HA ARG A 26 -16.399 -0.556 4.767 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -15.772 -3.042 4.178 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -14.237 -2.660 4.931 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -15.494 -1.946 7.000 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -16.975 -2.494 6.240 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -14.552 -4.289 6.636 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -15.845 -4.158 7.811 1.00 0.00 H new ATOM 0 HE ARG A 26 -15.896 -5.683 5.364 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -17.905 -3.702 7.485 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -19.402 -4.519 7.022 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -17.822 -6.727 4.774 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -19.355 -6.224 5.494 1.00 0.00 H new ATOM 364 N GLN A 27 -13.086 -0.395 4.766 1.00 0.00 N ATOM 365 CA GLN A 27 -11.953 0.342 5.312 1.00 0.00 C ATOM 366 C GLN A 27 -11.419 1.348 4.297 1.00 0.00 C ATOM 367 O GLN A 27 -11.364 1.068 3.099 1.00 0.00 O ATOM 368 CB GLN A 27 -10.840 -0.623 5.725 1.00 0.00 C ATOM 369 CG GLN A 27 -11.241 -1.570 6.844 1.00 0.00 C ATOM 370 CD GLN A 27 -10.187 -2.624 7.123 1.00 0.00 C ATOM 371 OE1 GLN A 27 -9.492 -3.078 6.214 1.00 0.00 O ATOM 372 NE2 GLN A 27 -10.064 -3.019 8.384 1.00 0.00 N ATOM 0 H GLN A 27 -12.831 -1.149 4.129 1.00 0.00 H new ATOM 0 HA GLN A 27 -12.296 0.887 6.192 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -10.537 -1.208 4.857 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -9.970 -0.047 6.041 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -11.425 -0.996 7.752 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -12.179 -2.060 6.582 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -10.661 -2.615 9.105 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -9.372 -3.726 8.632 1.00 0.00 H new ATOM 381 N LYS A 28 -11.026 2.520 4.784 1.00 0.00 N ATOM 382 CA LYS A 28 -10.495 3.568 3.921 1.00 0.00 C ATOM 383 C LYS A 28 -9.421 3.015 2.990 1.00 0.00 C ATOM 384 O LYS A 28 -9.355 3.381 1.817 1.00 0.00 O ATOM 385 CB LYS A 28 -9.917 4.707 4.764 1.00 0.00 C ATOM 386 CG LYS A 28 -9.165 5.746 3.949 1.00 0.00 C ATOM 387 CD LYS A 28 -8.680 6.893 4.820 1.00 0.00 C ATOM 388 CE LYS A 28 -7.547 7.658 4.153 1.00 0.00 C ATOM 389 NZ LYS A 28 -7.081 8.799 4.989 1.00 0.00 N ATOM 0 H LYS A 28 -11.065 2.768 5.773 1.00 0.00 H new ATOM 0 HA LYS A 28 -11.314 3.953 3.313 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.728 5.197 5.302 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.245 4.289 5.513 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.313 5.277 3.456 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -9.814 6.133 3.164 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.508 7.572 5.024 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.342 6.504 5.781 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.713 6.981 3.965 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.881 8.030 3.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -6.309 9.295 4.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.870 9.458 5.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.739 8.442 5.904 1.00 0.00 H new ATOM 403 N GLN A 29 -8.583 2.131 3.521 1.00 0.00 N ATOM 404 CA GLN A 29 -7.513 1.527 2.736 1.00 0.00 C ATOM 405 C GLN A 29 -8.033 1.042 1.388 1.00 0.00 C ATOM 406 O GLN A 29 -7.436 1.314 0.345 1.00 0.00 O ATOM 407 CB GLN A 29 -6.885 0.361 3.503 1.00 0.00 C ATOM 408 CG GLN A 29 -5.608 -0.167 2.868 1.00 0.00 C ATOM 409 CD GLN A 29 -5.035 -1.356 3.614 1.00 0.00 C ATOM 410 OE1 GLN A 29 -5.463 -1.673 4.724 1.00 0.00 O ATOM 411 NE2 GLN A 29 -4.060 -2.022 3.006 1.00 0.00 N ATOM 0 H GLN A 29 -8.624 1.817 4.491 1.00 0.00 H new ATOM 0 HA GLN A 29 -6.753 2.288 2.559 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -6.669 0.682 4.522 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -7.610 -0.450 3.571 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -5.811 -0.454 1.836 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -4.865 0.630 2.837 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.736 -1.724 2.086 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -3.635 -2.831 3.459 1.00 0.00 H new ATOM 420 N LEU A 30 -9.150 0.322 1.414 1.00 0.00 N ATOM 421 CA LEU A 30 -9.752 -0.202 0.193 1.00 0.00 C ATOM 422 C LEU A 30 -10.094 0.927 -0.773 1.00 0.00 C ATOM 423 O LEU A 30 -9.698 0.903 -1.939 1.00 0.00 O ATOM 424 CB LEU A 30 -11.011 -1.004 0.525 1.00 0.00 C ATOM 425 CG LEU A 30 -10.789 -2.450 0.969 1.00 0.00 C ATOM 426 CD1 LEU A 30 -9.942 -3.197 -0.051 1.00 0.00 C ATOM 427 CD2 LEU A 30 -10.134 -2.492 2.342 1.00 0.00 C ATOM 0 H LEU A 30 -9.657 0.088 2.268 1.00 0.00 H new ATOM 0 HA LEU A 30 -9.027 -0.859 -0.287 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -11.552 -0.482 1.314 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -11.656 -1.010 -0.354 1.00 0.00 H new ATOM 0 HG LEU A 30 -11.759 -2.942 1.036 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.794 -4.224 0.281 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -10.450 -3.197 -1.015 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -8.974 -2.705 -0.151 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.984 -3.529 2.642 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -9.171 -1.983 2.302 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -10.777 -1.994 3.067 1.00 0.00 H new ATOM 439 N LEU A 31 -10.830 1.917 -0.281 1.00 0.00 N ATOM 440 CA LEU A 31 -11.224 3.059 -1.100 1.00 0.00 C ATOM 441 C LEU A 31 -10.003 3.859 -1.543 1.00 0.00 C ATOM 442 O LEU A 31 -10.043 4.564 -2.551 1.00 0.00 O ATOM 443 CB LEU A 31 -12.185 3.961 -0.324 1.00 0.00 C ATOM 444 CG LEU A 31 -12.400 5.362 -0.896 1.00 0.00 C ATOM 445 CD1 LEU A 31 -12.918 5.283 -2.324 1.00 0.00 C ATOM 446 CD2 LEU A 31 -13.361 6.154 -0.021 1.00 0.00 C ATOM 0 H LEU A 31 -11.166 1.953 0.681 1.00 0.00 H new ATOM 0 HA LEU A 31 -11.729 2.680 -1.989 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -13.152 3.462 -0.265 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -11.815 4.060 0.696 1.00 0.00 H new ATOM 0 HG LEU A 31 -11.441 5.879 -0.908 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -13.065 6.290 -2.714 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -12.194 4.755 -2.945 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -13.867 4.747 -2.338 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -13.502 7.149 -0.444 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -14.321 5.639 0.024 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -12.949 6.242 0.984 1.00 0.00 H new ATOM 458 N ASP A 32 -8.919 3.742 -0.784 1.00 0.00 N ATOM 459 CA ASP A 32 -7.685 4.452 -1.100 1.00 0.00 C ATOM 460 C ASP A 32 -6.931 3.755 -2.229 1.00 0.00 C ATOM 461 O ASP A 32 -6.511 4.393 -3.193 1.00 0.00 O ATOM 462 CB ASP A 32 -6.795 4.548 0.141 1.00 0.00 C ATOM 463 CG ASP A 32 -5.824 5.710 0.068 1.00 0.00 C ATOM 464 OD1 ASP A 32 -4.862 5.630 -0.725 1.00 0.00 O ATOM 465 OD2 ASP A 32 -6.026 6.699 0.803 1.00 0.00 O ATOM 0 H ASP A 32 -8.870 3.163 0.054 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.947 5.458 -1.429 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.421 4.657 1.026 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.237 3.619 0.257 1.00 0.00 H new ATOM 470 N MET A 33 -6.763 2.443 -2.100 1.00 0.00 N ATOM 471 CA MET A 33 -6.060 1.661 -3.110 1.00 0.00 C ATOM 472 C MET A 33 -6.901 1.524 -4.375 1.00 0.00 C ATOM 473 O MET A 33 -6.368 1.345 -5.470 1.00 0.00 O ATOM 474 CB MET A 33 -5.714 0.275 -2.562 1.00 0.00 C ATOM 475 CG MET A 33 -6.932 -0.588 -2.276 1.00 0.00 C ATOM 476 SD MET A 33 -6.563 -2.352 -2.331 1.00 0.00 S ATOM 477 CE MET A 33 -8.167 -3.020 -2.766 1.00 0.00 C ATOM 0 H MET A 33 -7.104 1.900 -1.307 1.00 0.00 H new ATOM 0 HA MET A 33 -5.138 2.185 -3.363 1.00 0.00 H new ATOM 0 HB2 MET A 33 -5.074 -0.240 -3.278 1.00 0.00 H new ATOM 0 HB3 MET A 33 -5.137 0.390 -1.644 1.00 0.00 H new ATOM 0 HG2 MET A 33 -7.329 -0.334 -1.293 1.00 0.00 H new ATOM 0 HG3 MET A 33 -7.712 -0.361 -3.003 1.00 0.00 H new ATOM 0 HE1 MET A 33 -8.330 -3.954 -2.228 1.00 0.00 H new ATOM 0 HE2 MET A 33 -8.944 -2.305 -2.496 1.00 0.00 H new ATOM 0 HE3 MET A 33 -8.204 -3.208 -3.839 1.00 0.00 H new ATOM 487 N HIS A 34 -8.218 1.609 -4.217 1.00 0.00 N ATOM 488 CA HIS A 34 -9.133 1.496 -5.347 1.00 0.00 C ATOM 489 C HIS A 34 -8.943 2.657 -6.318 1.00 0.00 C ATOM 490 O HIS A 34 -8.872 2.460 -7.531 1.00 0.00 O ATOM 491 CB HIS A 34 -10.581 1.457 -4.857 1.00 0.00 C ATOM 492 CG HIS A 34 -11.559 2.036 -5.831 1.00 0.00 C ATOM 493 ND1 HIS A 34 -12.302 1.266 -6.700 1.00 0.00 N ATOM 494 CD2 HIS A 34 -11.915 3.320 -6.071 1.00 0.00 C ATOM 495 CE1 HIS A 34 -13.072 2.050 -7.433 1.00 0.00 C ATOM 496 NE2 HIS A 34 -12.857 3.302 -7.070 1.00 0.00 N ATOM 0 H HIS A 34 -8.675 1.756 -3.317 1.00 0.00 H new ATOM 0 HA HIS A 34 -8.910 0.567 -5.871 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -10.857 0.423 -4.648 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -10.652 2.002 -3.916 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -12.263 0.249 -6.767 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -11.530 4.196 -5.570 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -13.760 1.723 -8.199 1.00 0.00 H new ATOM 504 N PHE A 35 -8.863 3.868 -5.777 1.00 0.00 N ATOM 505 CA PHE A 35 -8.684 5.061 -6.595 1.00 0.00 C ATOM 506 C PHE A 35 -7.351 5.018 -7.336 1.00 0.00 C ATOM 507 O PHE A 35 -7.304 5.119 -8.562 1.00 0.00 O ATOM 508 CB PHE A 35 -8.756 6.318 -5.725 1.00 0.00 C ATOM 509 CG PHE A 35 -8.717 7.596 -6.514 1.00 0.00 C ATOM 510 CD1 PHE A 35 -7.565 7.978 -7.181 1.00 0.00 C ATOM 511 CD2 PHE A 35 -9.832 8.414 -6.587 1.00 0.00 C ATOM 512 CE1 PHE A 35 -7.526 9.154 -7.907 1.00 0.00 C ATOM 513 CE2 PHE A 35 -9.800 9.591 -7.311 1.00 0.00 C ATOM 514 CZ PHE A 35 -8.645 9.961 -7.973 1.00 0.00 C ATOM 0 H PHE A 35 -8.919 4.049 -4.775 1.00 0.00 H new ATOM 0 HA PHE A 35 -9.488 5.090 -7.331 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -9.673 6.291 -5.137 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -7.925 6.310 -5.020 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -6.687 7.350 -7.134 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -10.737 8.129 -6.072 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -6.621 9.441 -8.422 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -10.676 10.220 -7.359 1.00 0.00 H new ATOM 0 HZ PHE A 35 -8.617 10.879 -8.541 1.00 0.00 H new ATOM 524 N LYS A 36 -6.267 4.866 -6.582 1.00 0.00 N ATOM 525 CA LYS A 36 -4.932 4.807 -7.164 1.00 0.00 C ATOM 526 C LYS A 36 -4.776 3.573 -8.047 1.00 0.00 C ATOM 527 O LYS A 36 -3.763 3.407 -8.726 1.00 0.00 O ATOM 528 CB LYS A 36 -3.872 4.795 -6.061 1.00 0.00 C ATOM 529 CG LYS A 36 -3.614 6.162 -5.450 1.00 0.00 C ATOM 530 CD LYS A 36 -2.232 6.241 -4.823 1.00 0.00 C ATOM 531 CE LYS A 36 -1.163 6.535 -5.865 1.00 0.00 C ATOM 532 NZ LYS A 36 0.136 6.906 -5.238 1.00 0.00 N ATOM 0 H LYS A 36 -6.288 4.781 -5.566 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.794 5.694 -7.783 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.186 4.108 -5.275 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.939 4.407 -6.470 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -3.710 6.929 -6.218 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.370 6.372 -4.694 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.221 7.019 -4.060 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.004 5.300 -4.322 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.023 5.659 -6.499 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.499 7.346 -6.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.838 7.099 -5.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.009 7.756 -4.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.470 6.122 -4.641 1.00 0.00 H new ATOM 546 N ARG A 37 -5.787 2.710 -8.033 1.00 0.00 N ATOM 547 CA ARG A 37 -5.762 1.491 -8.832 1.00 0.00 C ATOM 548 C ARG A 37 -6.518 1.685 -10.144 1.00 0.00 C ATOM 549 O ARG A 37 -5.940 1.585 -11.226 1.00 0.00 O ATOM 550 CB ARG A 37 -6.372 0.329 -8.047 1.00 0.00 C ATOM 551 CG ARG A 37 -6.508 -0.949 -8.859 1.00 0.00 C ATOM 552 CD ARG A 37 -7.235 -2.031 -8.076 1.00 0.00 C ATOM 553 NE ARG A 37 -7.286 -3.295 -8.807 1.00 0.00 N ATOM 554 CZ ARG A 37 -8.163 -4.258 -8.549 1.00 0.00 C ATOM 555 NH1 ARG A 37 -9.059 -4.103 -7.584 1.00 0.00 N ATOM 556 NH2 ARG A 37 -8.146 -5.380 -9.258 1.00 0.00 N ATOM 0 H ARG A 37 -6.633 2.833 -7.477 1.00 0.00 H new ATOM 0 HA ARG A 37 -4.722 1.259 -9.062 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -5.754 0.129 -7.171 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -7.356 0.624 -7.683 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -7.050 -0.740 -9.781 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -5.519 -1.307 -9.144 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -6.734 -2.185 -7.120 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -8.249 -1.699 -7.855 1.00 0.00 H new ATOM 0 HE ARG A 37 -6.611 -3.446 -9.557 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -9.076 -3.242 -7.037 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -9.731 -4.845 -7.388 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -7.459 -5.503 -10.002 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -8.820 -6.119 -9.059 1.00 0.00 H new ATOM 570 N TYR A 38 -7.813 1.963 -10.038 1.00 0.00 N ATOM 571 CA TYR A 38 -8.649 2.168 -11.215 1.00 0.00 C ATOM 572 C TYR A 38 -8.382 3.533 -11.842 1.00 0.00 C ATOM 573 O TYR A 38 -7.874 3.628 -12.960 1.00 0.00 O ATOM 574 CB TYR A 38 -10.127 2.045 -10.844 1.00 0.00 C ATOM 575 CG TYR A 38 -10.593 0.616 -10.679 1.00 0.00 C ATOM 576 CD1 TYR A 38 -10.082 -0.190 -9.670 1.00 0.00 C ATOM 577 CD2 TYR A 38 -11.545 0.072 -11.533 1.00 0.00 C ATOM 578 CE1 TYR A 38 -10.504 -1.496 -9.516 1.00 0.00 C ATOM 579 CE2 TYR A 38 -11.974 -1.233 -11.386 1.00 0.00 C ATOM 580 CZ TYR A 38 -11.451 -2.013 -10.376 1.00 0.00 C ATOM 581 OH TYR A 38 -11.875 -3.313 -10.226 1.00 0.00 O ATOM 0 H TYR A 38 -8.306 2.051 -9.150 1.00 0.00 H new ATOM 0 HA TYR A 38 -8.399 1.398 -11.945 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -10.306 2.586 -9.915 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -10.728 2.528 -11.615 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -9.342 0.212 -8.994 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -11.957 0.680 -12.325 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -10.095 -2.109 -8.727 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -12.715 -1.640 -12.058 1.00 0.00 H new ATOM 0 HH TYR A 38 -12.544 -3.520 -10.911 1.00 0.00 H new ATOM 591 N HIS A 39 -8.727 4.590 -11.113 1.00 0.00 N ATOM 592 CA HIS A 39 -8.524 5.951 -11.595 1.00 0.00 C ATOM 593 C HIS A 39 -7.061 6.187 -11.956 1.00 0.00 C ATOM 594 O HIS A 39 -6.723 7.178 -12.603 1.00 0.00 O ATOM 595 CB HIS A 39 -8.970 6.961 -10.537 1.00 0.00 C ATOM 596 CG HIS A 39 -10.418 6.848 -10.173 1.00 0.00 C ATOM 597 ND1 HIS A 39 -11.433 6.872 -11.107 1.00 0.00 N ATOM 598 CD2 HIS A 39 -11.020 6.707 -8.969 1.00 0.00 C ATOM 599 CE1 HIS A 39 -12.596 6.753 -10.492 1.00 0.00 C ATOM 600 NE2 HIS A 39 -12.374 6.650 -9.194 1.00 0.00 N ATOM 0 H HIS A 39 -9.149 4.530 -10.186 1.00 0.00 H new ATOM 0 HA HIS A 39 -9.127 6.086 -12.493 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -8.367 6.825 -9.639 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -8.774 7.969 -10.903 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -11.305 6.967 -12.115 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -10.527 6.650 -8.010 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -13.565 6.742 -10.970 1.00 0.00 H new ATOM 608 N ASP A 40 -6.197 5.271 -11.533 1.00 0.00 N ATOM 609 CA ASP A 40 -4.770 5.379 -11.811 1.00 0.00 C ATOM 610 C ASP A 40 -4.148 4.000 -12.006 1.00 0.00 C ATOM 611 O ASP A 40 -4.138 3.164 -11.103 1.00 0.00 O ATOM 612 CB ASP A 40 -4.060 6.116 -10.674 1.00 0.00 C ATOM 613 CG ASP A 40 -4.342 7.606 -10.685 1.00 0.00 C ATOM 614 OD1 ASP A 40 -3.947 8.276 -11.662 1.00 0.00 O ATOM 615 OD2 ASP A 40 -4.956 8.101 -9.717 1.00 0.00 O ATOM 0 H ASP A 40 -6.460 4.445 -10.996 1.00 0.00 H new ATOM 0 HA ASP A 40 -4.648 5.947 -12.733 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.377 5.696 -9.719 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -2.985 5.952 -10.754 1.00 0.00 H new ATOM 620 N PRO A 41 -3.617 3.755 -13.213 1.00 0.00 N ATOM 621 CA PRO A 41 -2.984 2.477 -13.555 1.00 0.00 C ATOM 622 C PRO A 41 -1.662 2.272 -12.824 1.00 0.00 C ATOM 623 O PRO A 41 -0.979 1.270 -13.029 1.00 0.00 O ATOM 624 CB PRO A 41 -2.749 2.590 -15.064 1.00 0.00 C ATOM 625 CG PRO A 41 -2.666 4.055 -15.325 1.00 0.00 C ATOM 626 CD PRO A 41 -3.594 4.706 -14.338 1.00 0.00 C ATOM 0 HA PRO A 41 -3.602 1.626 -13.269 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -1.831 2.082 -15.361 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -3.563 2.133 -15.627 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -1.646 4.417 -15.198 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -2.961 4.286 -16.349 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -3.229 5.685 -14.029 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -4.588 4.855 -14.759 1.00 0.00 H new ATOM 634 N ASN A 42 -1.308 3.227 -11.971 1.00 0.00 N ATOM 635 CA ASN A 42 -0.067 3.150 -11.209 1.00 0.00 C ATOM 636 C ASN A 42 -0.123 2.014 -10.191 1.00 0.00 C ATOM 637 O ASN A 42 0.683 1.084 -10.238 1.00 0.00 O ATOM 638 CB ASN A 42 0.201 4.476 -10.495 1.00 0.00 C ATOM 639 CG ASN A 42 0.987 5.447 -11.354 1.00 0.00 C ATOM 640 OD1 ASN A 42 1.986 5.078 -11.972 1.00 0.00 O ATOM 641 ND2 ASN A 42 0.538 6.696 -11.397 1.00 0.00 N ATOM 0 H ASN A 42 -1.863 4.063 -11.790 1.00 0.00 H new ATOM 0 HA ASN A 42 0.746 2.950 -11.907 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -0.748 4.931 -10.212 1.00 0.00 H new ATOM 0 HB3 ASN A 42 0.750 4.284 -9.573 1.00 0.00 H new ATOM 0 HD21 ASN A 42 1.025 7.394 -11.959 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -0.294 6.957 -10.868 1.00 0.00 H new ATOM 648 N PHE A 43 -1.080 2.096 -9.273 1.00 0.00 N ATOM 649 CA PHE A 43 -1.241 1.076 -8.244 1.00 0.00 C ATOM 650 C PHE A 43 -1.770 -0.223 -8.844 1.00 0.00 C ATOM 651 O PHE A 43 -2.770 -0.227 -9.562 1.00 0.00 O ATOM 652 CB PHE A 43 -2.191 1.570 -7.151 1.00 0.00 C ATOM 653 CG PHE A 43 -2.236 0.674 -5.946 1.00 0.00 C ATOM 654 CD1 PHE A 43 -2.721 -0.620 -6.046 1.00 0.00 C ATOM 655 CD2 PHE A 43 -1.794 1.126 -4.713 1.00 0.00 C ATOM 656 CE1 PHE A 43 -2.763 -1.447 -4.939 1.00 0.00 C ATOM 657 CE2 PHE A 43 -1.833 0.304 -3.603 1.00 0.00 C ATOM 658 CZ PHE A 43 -2.320 -0.984 -3.716 1.00 0.00 C ATOM 0 H PHE A 43 -1.756 2.858 -9.221 1.00 0.00 H new ATOM 0 HA PHE A 43 -0.263 0.881 -7.805 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.886 2.569 -6.840 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -3.195 1.658 -7.566 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -3.070 -0.987 -7.000 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -1.415 2.133 -4.618 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -3.142 -2.454 -5.031 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -1.483 0.668 -2.648 1.00 0.00 H new ATOM 0 HZ PHE A 43 -2.354 -1.627 -2.849 1.00 0.00 H new ATOM 668 N VAL A 44 -1.091 -1.326 -8.545 1.00 0.00 N ATOM 669 CA VAL A 44 -1.491 -2.632 -9.054 1.00 0.00 C ATOM 670 C VAL A 44 -1.363 -3.705 -7.978 1.00 0.00 C ATOM 671 O VAL A 44 -0.286 -3.947 -7.434 1.00 0.00 O ATOM 672 CB VAL A 44 -0.646 -3.043 -10.275 1.00 0.00 C ATOM 673 CG1 VAL A 44 0.836 -2.876 -9.978 1.00 0.00 C ATOM 674 CG2 VAL A 44 -0.959 -4.474 -10.682 1.00 0.00 C ATOM 0 H VAL A 44 -0.261 -1.341 -7.952 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.535 -2.546 -9.356 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.901 -2.389 -11.109 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.418 -3.171 -10.851 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.044 -1.833 -9.739 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.110 -3.504 -9.130 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.353 -4.747 -11.546 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.734 -5.146 -9.854 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.015 -4.557 -10.939 1.00 0.00 H new ATOM 684 N PRO A 45 -2.488 -4.363 -7.662 1.00 0.00 N ATOM 685 CA PRO A 45 -2.528 -5.422 -6.648 1.00 0.00 C ATOM 686 C PRO A 45 -1.799 -6.683 -7.099 1.00 0.00 C ATOM 687 O PRO A 45 -1.885 -7.079 -8.261 1.00 0.00 O ATOM 688 CB PRO A 45 -4.024 -5.698 -6.483 1.00 0.00 C ATOM 689 CG PRO A 45 -4.632 -5.284 -7.778 1.00 0.00 C ATOM 690 CD PRO A 45 -3.808 -4.126 -8.270 1.00 0.00 C ATOM 0 HA PRO A 45 -2.032 -5.122 -5.725 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -4.212 -6.752 -6.277 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.441 -5.131 -5.651 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -4.619 -6.105 -8.495 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.674 -4.993 -7.645 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -3.751 -4.107 -9.358 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -4.229 -3.171 -7.956 1.00 0.00 H new ATOM 698 N ALA A 46 -1.083 -7.310 -6.172 1.00 0.00 N ATOM 699 CA ALA A 46 -0.341 -8.528 -6.474 1.00 0.00 C ATOM 700 C ALA A 46 -1.279 -9.724 -6.601 1.00 0.00 C ATOM 701 O ALA A 46 -1.852 -10.183 -5.613 1.00 0.00 O ATOM 702 CB ALA A 46 0.706 -8.788 -5.401 1.00 0.00 C ATOM 0 H ALA A 46 -1.001 -6.995 -5.205 1.00 0.00 H new ATOM 0 HA ALA A 46 0.162 -8.390 -7.431 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.252 -9.701 -5.639 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.401 -7.949 -5.360 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.216 -8.901 -4.434 1.00 0.00 H new ATOM 708 N ALA A 47 -1.431 -10.224 -7.823 1.00 0.00 N ATOM 709 CA ALA A 47 -2.299 -11.367 -8.078 1.00 0.00 C ATOM 710 C ALA A 47 -1.513 -12.529 -8.676 1.00 0.00 C ATOM 711 O ALA A 47 -1.127 -12.495 -9.844 1.00 0.00 O ATOM 712 CB ALA A 47 -3.439 -10.968 -9.003 1.00 0.00 C ATOM 0 H ALA A 47 -0.964 -9.855 -8.652 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.716 -11.695 -7.126 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.079 -11.831 -9.185 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.024 -10.174 -8.538 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.032 -10.612 -9.950 1.00 0.00 H new ATOM 718 N PHE A 48 -1.278 -13.557 -7.866 1.00 0.00 N ATOM 719 CA PHE A 48 -0.537 -14.730 -8.315 1.00 0.00 C ATOM 720 C PHE A 48 -1.354 -16.002 -8.108 1.00 0.00 C ATOM 721 O PHE A 48 -1.545 -16.453 -6.979 1.00 0.00 O ATOM 722 CB PHE A 48 0.793 -14.836 -7.565 1.00 0.00 C ATOM 723 CG PHE A 48 1.730 -13.696 -7.842 1.00 0.00 C ATOM 724 CD1 PHE A 48 1.521 -12.454 -7.264 1.00 0.00 C ATOM 725 CD2 PHE A 48 2.821 -13.865 -8.679 1.00 0.00 C ATOM 726 CE1 PHE A 48 2.381 -11.403 -7.517 1.00 0.00 C ATOM 727 CE2 PHE A 48 3.685 -12.818 -8.936 1.00 0.00 C ATOM 728 CZ PHE A 48 3.466 -11.585 -8.353 1.00 0.00 C ATOM 0 H PHE A 48 -1.590 -13.601 -6.896 1.00 0.00 H new ATOM 0 HA PHE A 48 -0.338 -14.618 -9.381 1.00 0.00 H new ATOM 0 HB2 PHE A 48 0.594 -14.881 -6.494 1.00 0.00 H new ATOM 0 HB3 PHE A 48 1.281 -15.772 -7.838 1.00 0.00 H new ATOM 0 HD1 PHE A 48 0.676 -12.306 -6.608 1.00 0.00 H new ATOM 0 HD2 PHE A 48 2.998 -14.827 -9.136 1.00 0.00 H new ATOM 0 HE1 PHE A 48 2.205 -10.440 -7.062 1.00 0.00 H new ATOM 0 HE2 PHE A 48 4.531 -12.963 -9.592 1.00 0.00 H new ATOM 0 HZ PHE A 48 4.141 -10.765 -8.550 1.00 0.00 H new ATOM 738 N VAL A 49 -1.833 -16.575 -9.207 1.00 0.00 N ATOM 739 CA VAL A 49 -2.629 -17.795 -9.148 1.00 0.00 C ATOM 740 C VAL A 49 -1.794 -19.015 -9.520 1.00 0.00 C ATOM 741 O VAL A 49 -0.936 -18.949 -10.401 1.00 0.00 O ATOM 742 CB VAL A 49 -3.848 -17.716 -10.086 1.00 0.00 C ATOM 743 CG1 VAL A 49 -4.379 -19.109 -10.390 1.00 0.00 C ATOM 744 CG2 VAL A 49 -4.935 -16.844 -9.475 1.00 0.00 C ATOM 0 H VAL A 49 -1.684 -16.214 -10.149 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.977 -17.896 -8.120 1.00 0.00 H new ATOM 0 HB VAL A 49 -3.533 -17.260 -11.025 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.240 -19.033 -11.054 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.599 -19.698 -10.873 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -4.679 -19.595 -9.461 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.789 -16.799 -10.151 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -5.249 -17.269 -8.522 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.547 -15.838 -9.314 1.00 0.00 H new ATOM 754 N CYS A 50 -2.050 -20.129 -8.843 1.00 0.00 N ATOM 755 CA CYS A 50 -1.322 -21.366 -9.101 1.00 0.00 C ATOM 756 C CYS A 50 -1.702 -21.947 -10.460 1.00 0.00 C ATOM 757 O CYS A 50 -2.872 -21.940 -10.844 1.00 0.00 O ATOM 758 CB CYS A 50 -1.605 -22.388 -7.999 1.00 0.00 C ATOM 759 SG CYS A 50 -0.365 -23.718 -7.882 1.00 0.00 S ATOM 0 H CYS A 50 -2.757 -20.201 -8.111 1.00 0.00 H new ATOM 0 HA CYS A 50 -0.256 -21.137 -9.109 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -1.657 -21.869 -7.042 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -2.584 -22.833 -8.174 1.00 0.00 H new ATOM 764 N SER A 51 -0.706 -22.450 -11.182 1.00 0.00 N ATOM 765 CA SER A 51 -0.935 -23.032 -12.499 1.00 0.00 C ATOM 766 C SER A 51 -1.117 -24.544 -12.400 1.00 0.00 C ATOM 767 O SER A 51 -1.393 -25.214 -13.395 1.00 0.00 O ATOM 768 CB SER A 51 0.232 -22.708 -13.433 1.00 0.00 C ATOM 769 OG SER A 51 0.017 -21.482 -14.111 1.00 0.00 O ATOM 0 H SER A 51 0.267 -22.466 -10.877 1.00 0.00 H new ATOM 0 HA SER A 51 -1.848 -22.599 -12.907 1.00 0.00 H new ATOM 0 HB2 SER A 51 1.157 -22.652 -12.859 1.00 0.00 H new ATOM 0 HB3 SER A 51 0.355 -23.512 -14.159 1.00 0.00 H new ATOM 0 HG SER A 51 0.778 -21.296 -14.700 1.00 0.00 H new ATOM 775 N LYS A 52 -0.959 -25.075 -11.193 1.00 0.00 N ATOM 776 CA LYS A 52 -1.107 -26.507 -10.960 1.00 0.00 C ATOM 777 C LYS A 52 -2.539 -26.849 -10.561 1.00 0.00 C ATOM 778 O LYS A 52 -3.212 -27.630 -11.233 1.00 0.00 O ATOM 779 CB LYS A 52 -0.137 -26.970 -9.871 1.00 0.00 C ATOM 780 CG LYS A 52 1.305 -27.058 -10.337 1.00 0.00 C ATOM 781 CD LYS A 52 2.269 -27.111 -9.164 1.00 0.00 C ATOM 782 CE LYS A 52 3.587 -27.763 -9.553 1.00 0.00 C ATOM 783 NZ LYS A 52 4.480 -26.818 -10.278 1.00 0.00 N ATOM 0 H LYS A 52 -0.728 -24.535 -10.359 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.875 -27.027 -11.889 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.196 -26.282 -9.028 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -0.453 -27.948 -9.507 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.435 -27.946 -10.956 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.539 -26.197 -10.963 1.00 0.00 H new ATOM 0 HD2 LYS A 52 2.456 -26.101 -8.799 1.00 0.00 H new ATOM 0 HD3 LYS A 52 1.815 -27.667 -8.344 1.00 0.00 H new ATOM 0 HE2 LYS A 52 4.092 -28.125 -8.657 1.00 0.00 H new ATOM 0 HE3 LYS A 52 3.391 -28.632 -10.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 5.104 -27.351 -10.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 3.904 -26.152 -10.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 5.056 -26.290 -9.592 1.00 0.00 H new ATOM 797 N CYS A 53 -2.999 -26.258 -9.463 1.00 0.00 N ATOM 798 CA CYS A 53 -4.351 -26.498 -8.974 1.00 0.00 C ATOM 799 C CYS A 53 -5.284 -25.358 -9.371 1.00 0.00 C ATOM 800 O CYS A 53 -6.421 -25.586 -9.783 1.00 0.00 O ATOM 801 CB CYS A 53 -4.344 -26.661 -7.453 1.00 0.00 C ATOM 802 SG CYS A 53 -3.791 -25.179 -6.549 1.00 0.00 S ATOM 0 H CYS A 53 -2.454 -25.609 -8.895 1.00 0.00 H new ATOM 0 HA CYS A 53 -4.717 -27.418 -9.429 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -5.349 -26.922 -7.122 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -3.695 -27.497 -7.191 1.00 0.00 H new ATOM 807 N GLY A 54 -4.794 -24.128 -9.244 1.00 0.00 N ATOM 808 CA GLY A 54 -5.596 -22.970 -9.593 1.00 0.00 C ATOM 809 C GLY A 54 -5.974 -22.141 -8.382 1.00 0.00 C ATOM 810 O GLY A 54 -7.019 -21.490 -8.367 1.00 0.00 O ATOM 0 H GLY A 54 -3.856 -23.913 -8.906 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.043 -22.348 -10.297 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -6.502 -23.299 -10.101 1.00 0.00 H new ATOM 814 N LYS A 55 -5.124 -22.164 -7.361 1.00 0.00 N ATOM 815 CA LYS A 55 -5.373 -21.409 -6.139 1.00 0.00 C ATOM 816 C LYS A 55 -4.925 -19.959 -6.294 1.00 0.00 C ATOM 817 O LYS A 55 -4.321 -19.589 -7.301 1.00 0.00 O ATOM 818 CB LYS A 55 -4.645 -22.056 -4.958 1.00 0.00 C ATOM 819 CG LYS A 55 -5.357 -21.870 -3.630 1.00 0.00 C ATOM 820 CD LYS A 55 -4.831 -22.830 -2.576 1.00 0.00 C ATOM 821 CE LYS A 55 -4.966 -22.249 -1.176 1.00 0.00 C ATOM 822 NZ LYS A 55 -6.279 -22.585 -0.561 1.00 0.00 N ATOM 0 H LYS A 55 -4.255 -22.698 -7.356 1.00 0.00 H new ATOM 0 HA LYS A 55 -6.446 -21.420 -5.947 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -4.530 -23.122 -5.153 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -3.642 -21.635 -4.885 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.226 -20.844 -3.287 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -6.427 -22.027 -3.765 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.377 -23.771 -2.635 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.784 -23.056 -2.778 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.162 -22.629 -0.546 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.852 -21.166 -1.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.332 -22.171 0.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -7.046 -22.201 -1.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.378 -23.618 -0.496 1.00 0.00 H new ATOM 836 N THR A 56 -5.223 -19.142 -5.289 1.00 0.00 N ATOM 837 CA THR A 56 -4.851 -17.733 -5.314 1.00 0.00 C ATOM 838 C THR A 56 -3.927 -17.388 -4.151 1.00 0.00 C ATOM 839 O THR A 56 -4.110 -17.874 -3.035 1.00 0.00 O ATOM 840 CB THR A 56 -6.092 -16.823 -5.256 1.00 0.00 C ATOM 841 OG1 THR A 56 -6.985 -17.276 -4.233 1.00 0.00 O ATOM 842 CG2 THR A 56 -6.814 -16.806 -6.595 1.00 0.00 C ATOM 0 H THR A 56 -5.721 -19.432 -4.447 1.00 0.00 H new ATOM 0 HA THR A 56 -4.327 -17.561 -6.254 1.00 0.00 H new ATOM 0 HB THR A 56 -5.761 -15.810 -5.026 1.00 0.00 H new ATOM 0 HG1 THR A 56 -7.770 -16.691 -4.202 1.00 0.00 H new ATOM 0 HG21 THR A 56 -7.687 -16.157 -6.529 1.00 0.00 H new ATOM 0 HG22 THR A 56 -6.141 -16.432 -7.367 1.00 0.00 H new ATOM 0 HG23 THR A 56 -7.132 -17.817 -6.850 1.00 0.00 H new ATOM 850 N PHE A 57 -2.935 -16.546 -4.419 1.00 0.00 N ATOM 851 CA PHE A 57 -1.982 -16.136 -3.395 1.00 0.00 C ATOM 852 C PHE A 57 -1.745 -14.629 -3.444 1.00 0.00 C ATOM 853 O PHE A 57 -2.174 -13.951 -4.378 1.00 0.00 O ATOM 854 CB PHE A 57 -0.657 -16.878 -3.574 1.00 0.00 C ATOM 855 CG PHE A 57 -0.760 -18.357 -3.334 1.00 0.00 C ATOM 856 CD1 PHE A 57 -1.161 -19.211 -4.348 1.00 0.00 C ATOM 857 CD2 PHE A 57 -0.458 -18.893 -2.092 1.00 0.00 C ATOM 858 CE1 PHE A 57 -1.257 -20.573 -4.130 1.00 0.00 C ATOM 859 CE2 PHE A 57 -0.552 -20.254 -1.869 1.00 0.00 C ATOM 860 CZ PHE A 57 -0.953 -21.095 -2.888 1.00 0.00 C ATOM 0 H PHE A 57 -2.770 -16.134 -5.337 1.00 0.00 H new ATOM 0 HA PHE A 57 -2.403 -16.388 -2.422 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.288 -16.707 -4.585 1.00 0.00 H new ATOM 0 HB3 PHE A 57 0.081 -16.458 -2.890 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.402 -18.808 -5.321 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -0.146 -18.240 -1.290 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -1.569 -21.228 -4.930 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.312 -20.660 -0.897 1.00 0.00 H new ATOM 0 HZ PHE A 57 -1.029 -22.158 -2.714 1.00 0.00 H new ATOM 870 N THR A 58 -1.059 -14.111 -2.430 1.00 0.00 N ATOM 871 CA THR A 58 -0.765 -12.685 -2.356 1.00 0.00 C ATOM 872 C THR A 58 0.684 -12.401 -2.736 1.00 0.00 C ATOM 873 O THR A 58 0.974 -11.424 -3.425 1.00 0.00 O ATOM 874 CB THR A 58 -1.032 -12.129 -0.944 1.00 0.00 C ATOM 875 OG1 THR A 58 -2.353 -12.485 -0.520 1.00 0.00 O ATOM 876 CG2 THR A 58 -0.876 -10.617 -0.920 1.00 0.00 C ATOM 0 H THR A 58 -0.697 -14.658 -1.649 1.00 0.00 H new ATOM 0 HA THR A 58 -1.427 -12.189 -3.065 1.00 0.00 H new ATOM 0 HB THR A 58 -0.302 -12.564 -0.261 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.515 -12.130 0.379 1.00 0.00 H new ATOM 0 HG21 THR A 58 -1.069 -10.247 0.087 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.139 -10.351 -1.216 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.586 -10.167 -1.614 1.00 0.00 H new ATOM 884 N ARG A 59 1.589 -13.262 -2.282 1.00 0.00 N ATOM 885 CA ARG A 59 3.008 -13.103 -2.574 1.00 0.00 C ATOM 886 C ARG A 59 3.517 -14.252 -3.440 1.00 0.00 C ATOM 887 O ARG A 59 3.184 -15.414 -3.205 1.00 0.00 O ATOM 888 CB ARG A 59 3.814 -13.033 -1.275 1.00 0.00 C ATOM 889 CG ARG A 59 3.346 -11.942 -0.326 1.00 0.00 C ATOM 890 CD ARG A 59 3.819 -12.199 1.096 1.00 0.00 C ATOM 891 NE ARG A 59 3.884 -10.970 1.882 1.00 0.00 N ATOM 892 CZ ARG A 59 4.924 -10.144 1.868 1.00 0.00 C ATOM 893 NH1 ARG A 59 5.979 -10.413 1.112 1.00 0.00 N ATOM 894 NH2 ARG A 59 4.909 -9.045 2.611 1.00 0.00 N ATOM 0 H ARG A 59 1.364 -14.077 -1.711 1.00 0.00 H new ATOM 0 HA ARG A 59 3.138 -12.171 -3.124 1.00 0.00 H new ATOM 0 HB2 ARG A 59 3.753 -13.995 -0.767 1.00 0.00 H new ATOM 0 HB3 ARG A 59 4.864 -12.867 -1.517 1.00 0.00 H new ATOM 0 HG2 ARG A 59 3.721 -10.977 -0.666 1.00 0.00 H new ATOM 0 HG3 ARG A 59 2.258 -11.885 -0.344 1.00 0.00 H new ATOM 0 HD2 ARG A 59 3.144 -12.904 1.581 1.00 0.00 H new ATOM 0 HD3 ARG A 59 4.804 -12.666 1.072 1.00 0.00 H new ATOM 0 HE ARG A 59 3.088 -10.733 2.474 1.00 0.00 H new ATOM 0 HH11 ARG A 59 5.994 -11.256 0.539 1.00 0.00 H new ATOM 0 HH12 ARG A 59 6.776 -9.777 1.104 1.00 0.00 H new ATOM 0 HH21 ARG A 59 4.099 -8.834 3.193 1.00 0.00 H new ATOM 0 HH22 ARG A 59 5.708 -8.411 2.600 1.00 0.00 H new ATOM 908 N ARG A 60 4.325 -13.919 -4.441 1.00 0.00 N ATOM 909 CA ARG A 60 4.879 -14.922 -5.342 1.00 0.00 C ATOM 910 C ARG A 60 5.685 -15.962 -4.569 1.00 0.00 C ATOM 911 O ARG A 60 5.312 -17.132 -4.511 1.00 0.00 O ATOM 912 CB ARG A 60 5.763 -14.257 -6.398 1.00 0.00 C ATOM 913 CG ARG A 60 5.886 -15.060 -7.683 1.00 0.00 C ATOM 914 CD ARG A 60 6.885 -14.429 -8.641 1.00 0.00 C ATOM 915 NE ARG A 60 7.042 -15.213 -9.863 1.00 0.00 N ATOM 916 CZ ARG A 60 7.487 -14.708 -11.008 1.00 0.00 C ATOM 917 NH1 ARG A 60 7.818 -13.427 -11.087 1.00 0.00 N ATOM 918 NH2 ARG A 60 7.603 -15.486 -12.077 1.00 0.00 N ATOM 0 H ARG A 60 4.611 -12.962 -4.648 1.00 0.00 H new ATOM 0 HA ARG A 60 4.050 -15.426 -5.838 1.00 0.00 H new ATOM 0 HB2 ARG A 60 5.357 -13.273 -6.632 1.00 0.00 H new ATOM 0 HB3 ARG A 60 6.758 -14.101 -5.981 1.00 0.00 H new ATOM 0 HG2 ARG A 60 6.198 -16.078 -7.449 1.00 0.00 H new ATOM 0 HG3 ARG A 60 4.911 -15.128 -8.165 1.00 0.00 H new ATOM 0 HD2 ARG A 60 6.556 -13.422 -8.896 1.00 0.00 H new ATOM 0 HD3 ARG A 60 7.851 -14.333 -8.146 1.00 0.00 H new ATOM 0 HE ARG A 60 6.796 -16.203 -9.836 1.00 0.00 H new ATOM 0 HH11 ARG A 60 7.731 -12.826 -10.267 1.00 0.00 H new ATOM 0 HH12 ARG A 60 8.159 -13.042 -11.968 1.00 0.00 H new ATOM 0 HH21 ARG A 60 7.350 -16.473 -12.020 1.00 0.00 H new ATOM 0 HH22 ARG A 60 7.945 -15.097 -12.956 1.00 0.00 H new ATOM 932 N ASN A 61 6.792 -15.525 -3.979 1.00 0.00 N ATOM 933 CA ASN A 61 7.652 -16.418 -3.210 1.00 0.00 C ATOM 934 C ASN A 61 6.826 -17.468 -2.474 1.00 0.00 C ATOM 935 O ASN A 61 7.148 -18.657 -2.498 1.00 0.00 O ATOM 936 CB ASN A 61 8.489 -15.618 -2.210 1.00 0.00 C ATOM 937 CG ASN A 61 9.039 -16.485 -1.094 1.00 0.00 C ATOM 938 OD1 ASN A 61 10.188 -16.924 -1.143 1.00 0.00 O ATOM 939 ND2 ASN A 61 8.219 -16.735 -0.080 1.00 0.00 N ATOM 0 H ASN A 61 7.115 -14.558 -4.018 1.00 0.00 H new ATOM 0 HA ASN A 61 8.319 -16.928 -3.905 1.00 0.00 H new ATOM 0 HB2 ASN A 61 9.315 -15.137 -2.734 1.00 0.00 H new ATOM 0 HB3 ASN A 61 7.878 -14.824 -1.782 1.00 0.00 H new ATOM 0 HD21 ASN A 61 8.534 -17.312 0.700 1.00 0.00 H new ATOM 0 HD22 ASN A 61 7.274 -16.350 -0.081 1.00 0.00 H new ATOM 946 N THR A 62 5.757 -17.022 -1.821 1.00 0.00 N ATOM 947 CA THR A 62 4.885 -17.922 -1.078 1.00 0.00 C ATOM 948 C THR A 62 4.207 -18.922 -2.007 1.00 0.00 C ATOM 949 O THR A 62 4.111 -20.109 -1.694 1.00 0.00 O ATOM 950 CB THR A 62 3.805 -17.145 -0.303 1.00 0.00 C ATOM 951 OG1 THR A 62 4.419 -16.197 0.577 1.00 0.00 O ATOM 952 CG2 THR A 62 2.926 -18.093 0.499 1.00 0.00 C ATOM 0 H THR A 62 5.475 -16.042 -1.792 1.00 0.00 H new ATOM 0 HA THR A 62 5.515 -18.459 -0.369 1.00 0.00 H new ATOM 0 HB THR A 62 3.180 -16.619 -1.025 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.725 -15.706 1.065 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.171 -17.521 1.038 1.00 0.00 H new ATOM 0 HG22 THR A 62 2.436 -18.794 -0.177 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.540 -18.644 1.211 1.00 0.00 H new ATOM 960 N MET A 63 3.738 -18.436 -3.152 1.00 0.00 N ATOM 961 CA MET A 63 3.070 -19.289 -4.128 1.00 0.00 C ATOM 962 C MET A 63 4.053 -20.277 -4.749 1.00 0.00 C ATOM 963 O MET A 63 3.812 -21.484 -4.757 1.00 0.00 O ATOM 964 CB MET A 63 2.424 -18.439 -5.223 1.00 0.00 C ATOM 965 CG MET A 63 1.635 -19.251 -6.237 1.00 0.00 C ATOM 966 SD MET A 63 2.647 -19.804 -7.622 1.00 0.00 S ATOM 967 CE MET A 63 2.376 -18.475 -8.792 1.00 0.00 C ATOM 0 H MET A 63 3.808 -17.456 -3.426 1.00 0.00 H new ATOM 0 HA MET A 63 2.294 -19.852 -3.610 1.00 0.00 H new ATOM 0 HB2 MET A 63 1.761 -17.708 -4.760 1.00 0.00 H new ATOM 0 HB3 MET A 63 3.201 -17.880 -5.744 1.00 0.00 H new ATOM 0 HG2 MET A 63 1.199 -20.118 -5.742 1.00 0.00 H new ATOM 0 HG3 MET A 63 0.808 -18.650 -6.614 1.00 0.00 H new ATOM 0 HE1 MET A 63 2.924 -18.682 -9.711 1.00 0.00 H new ATOM 0 HE2 MET A 63 1.312 -18.397 -9.014 1.00 0.00 H new ATOM 0 HE3 MET A 63 2.727 -17.536 -8.364 1.00 0.00 H new ATOM 977 N ALA A 64 5.160 -19.757 -5.268 1.00 0.00 N ATOM 978 CA ALA A 64 6.179 -20.593 -5.889 1.00 0.00 C ATOM 979 C ALA A 64 6.438 -21.848 -5.062 1.00 0.00 C ATOM 980 O ALA A 64 6.397 -22.964 -5.581 1.00 0.00 O ATOM 981 CB ALA A 64 7.467 -19.806 -6.075 1.00 0.00 C ATOM 0 H ALA A 64 5.374 -18.760 -5.271 1.00 0.00 H new ATOM 0 HA ALA A 64 5.812 -20.903 -6.867 1.00 0.00 H new ATOM 0 HB1 ALA A 64 8.219 -20.444 -6.540 1.00 0.00 H new ATOM 0 HB2 ALA A 64 7.277 -18.943 -6.714 1.00 0.00 H new ATOM 0 HB3 ALA A 64 7.829 -19.466 -5.105 1.00 0.00 H new ATOM 987 N ARG A 65 6.705 -21.658 -3.774 1.00 0.00 N ATOM 988 CA ARG A 65 6.973 -22.775 -2.876 1.00 0.00 C ATOM 989 C ARG A 65 5.785 -23.731 -2.829 1.00 0.00 C ATOM 990 O ARG A 65 5.953 -24.950 -2.882 1.00 0.00 O ATOM 991 CB ARG A 65 7.285 -22.262 -1.469 1.00 0.00 C ATOM 992 CG ARG A 65 8.588 -21.485 -1.379 1.00 0.00 C ATOM 993 CD ARG A 65 8.965 -21.196 0.066 1.00 0.00 C ATOM 994 NE ARG A 65 10.406 -21.023 0.231 1.00 0.00 N ATOM 995 CZ ARG A 65 11.035 -21.167 1.392 1.00 0.00 C ATOM 996 NH1 ARG A 65 10.353 -21.483 2.485 1.00 0.00 N ATOM 997 NH2 ARG A 65 12.349 -20.993 1.463 1.00 0.00 N ATOM 0 H ARG A 65 6.741 -20.741 -3.329 1.00 0.00 H new ATOM 0 HA ARG A 65 7.838 -23.317 -3.258 1.00 0.00 H new ATOM 0 HB2 ARG A 65 6.467 -21.624 -1.135 1.00 0.00 H new ATOM 0 HB3 ARG A 65 7.329 -23.109 -0.784 1.00 0.00 H new ATOM 0 HG2 ARG A 65 9.386 -22.053 -1.858 1.00 0.00 H new ATOM 0 HG3 ARG A 65 8.492 -20.547 -1.926 1.00 0.00 H new ATOM 0 HD2 ARG A 65 8.451 -20.295 0.402 1.00 0.00 H new ATOM 0 HD3 ARG A 65 8.623 -22.014 0.700 1.00 0.00 H new ATOM 0 HE ARG A 65 10.959 -20.778 -0.590 1.00 0.00 H new ATOM 0 HH11 ARG A 65 9.343 -21.616 2.435 1.00 0.00 H new ATOM 0 HH12 ARG A 65 10.839 -21.593 3.375 1.00 0.00 H new ATOM 0 HH21 ARG A 65 12.877 -20.748 0.625 1.00 0.00 H new ATOM 0 HH22 ARG A 65 12.831 -21.104 2.355 1.00 0.00 H new ATOM 1011 N HIS A 66 4.584 -23.171 -2.729 1.00 0.00 N ATOM 1012 CA HIS A 66 3.368 -23.974 -2.674 1.00 0.00 C ATOM 1013 C HIS A 66 3.258 -24.877 -3.899 1.00 0.00 C ATOM 1014 O HIS A 66 2.887 -26.046 -3.789 1.00 0.00 O ATOM 1015 CB HIS A 66 2.138 -23.070 -2.581 1.00 0.00 C ATOM 1016 CG HIS A 66 0.883 -23.712 -3.085 1.00 0.00 C ATOM 1017 ND1 HIS A 66 0.175 -24.650 -2.364 1.00 0.00 N ATOM 1018 CD2 HIS A 66 0.208 -23.546 -4.247 1.00 0.00 C ATOM 1019 CE1 HIS A 66 -0.880 -25.034 -3.060 1.00 0.00 C ATOM 1020 NE2 HIS A 66 -0.883 -24.379 -4.206 1.00 0.00 N ATOM 0 H HIS A 66 4.427 -22.164 -2.684 1.00 0.00 H new ATOM 0 HA HIS A 66 3.417 -24.602 -1.784 1.00 0.00 H new ATOM 0 HB2 HIS A 66 1.993 -22.774 -1.542 1.00 0.00 H new ATOM 0 HB3 HIS A 66 2.323 -22.159 -3.149 1.00 0.00 H new ATOM 0 HD1 HIS A 66 0.427 -24.994 -1.437 1.00 0.00 H new ATOM 0 HD2 HIS A 66 0.477 -22.882 -5.055 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -1.615 -25.760 -2.745 1.00 0.00 H new ATOM 1028 N ALA A 67 3.583 -24.328 -5.064 1.00 0.00 N ATOM 1029 CA ALA A 67 3.522 -25.085 -6.309 1.00 0.00 C ATOM 1030 C ALA A 67 4.308 -26.387 -6.198 1.00 0.00 C ATOM 1031 O ALA A 67 3.817 -27.453 -6.572 1.00 0.00 O ATOM 1032 CB ALA A 67 4.049 -24.245 -7.463 1.00 0.00 C ATOM 0 H ALA A 67 3.891 -23.362 -5.172 1.00 0.00 H new ATOM 0 HA ALA A 67 2.479 -25.336 -6.503 1.00 0.00 H new ATOM 0 HB1 ALA A 67 3.998 -24.822 -8.386 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.443 -23.345 -7.564 1.00 0.00 H new ATOM 0 HB3 ALA A 67 5.084 -23.966 -7.267 1.00 0.00 H new ATOM 1038 N ASP A 68 5.529 -26.294 -5.684 1.00 0.00 N ATOM 1039 CA ASP A 68 6.383 -27.465 -5.525 1.00 0.00 C ATOM 1040 C ASP A 68 5.606 -28.625 -4.909 1.00 0.00 C ATOM 1041 O ASP A 68 5.513 -29.703 -5.494 1.00 0.00 O ATOM 1042 CB ASP A 68 7.593 -27.126 -4.652 1.00 0.00 C ATOM 1043 CG ASP A 68 8.801 -27.982 -4.979 1.00 0.00 C ATOM 1044 OD1 ASP A 68 8.618 -29.188 -5.244 1.00 0.00 O ATOM 1045 OD2 ASP A 68 9.929 -27.446 -4.968 1.00 0.00 O ATOM 0 H ASP A 68 5.950 -25.419 -5.370 1.00 0.00 H new ATOM 0 HA ASP A 68 6.730 -27.767 -6.513 1.00 0.00 H new ATOM 0 HB2 ASP A 68 7.850 -26.075 -4.784 1.00 0.00 H new ATOM 0 HB3 ASP A 68 7.329 -27.260 -3.603 1.00 0.00 H new ATOM 1050 N ASN A 69 5.049 -28.394 -3.724 1.00 0.00 N ATOM 1051 CA ASN A 69 4.281 -29.420 -3.028 1.00 0.00 C ATOM 1052 C ASN A 69 2.943 -29.662 -3.722 1.00 0.00 C ATOM 1053 O ASN A 69 2.281 -30.672 -3.482 1.00 0.00 O ATOM 1054 CB ASN A 69 4.047 -29.012 -1.573 1.00 0.00 C ATOM 1055 CG ASN A 69 5.341 -28.705 -0.843 1.00 0.00 C ATOM 1056 OD1 ASN A 69 6.409 -29.187 -1.221 1.00 0.00 O ATOM 1057 ND2 ASN A 69 5.250 -27.899 0.208 1.00 0.00 N ATOM 0 H ASN A 69 5.115 -27.506 -3.226 1.00 0.00 H new ATOM 0 HA ASN A 69 4.855 -30.346 -3.050 1.00 0.00 H new ATOM 0 HB2 ASN A 69 3.400 -28.135 -1.544 1.00 0.00 H new ATOM 0 HB3 ASN A 69 3.521 -29.813 -1.054 1.00 0.00 H new ATOM 0 HD21 ASN A 69 6.087 -27.656 0.738 1.00 0.00 H new ATOM 0 HD22 ASN A 69 4.343 -27.523 0.485 1.00 0.00 H new ATOM 1064 N CYS A 70 2.552 -28.728 -4.582 1.00 0.00 N ATOM 1065 CA CYS A 70 1.294 -28.838 -5.311 1.00 0.00 C ATOM 1066 C CYS A 70 1.445 -29.755 -6.522 1.00 0.00 C ATOM 1067 O CYS A 70 2.477 -29.749 -7.193 1.00 0.00 O ATOM 1068 CB CYS A 70 0.819 -27.456 -5.761 1.00 0.00 C ATOM 1069 SG CYS A 70 -0.837 -27.450 -6.522 1.00 0.00 S ATOM 0 H CYS A 70 3.088 -27.886 -4.791 1.00 0.00 H new ATOM 0 HA CYS A 70 0.551 -29.270 -4.640 1.00 0.00 H new ATOM 0 HB2 CYS A 70 0.814 -26.787 -4.900 1.00 0.00 H new ATOM 0 HB3 CYS A 70 1.537 -27.052 -6.475 1.00 0.00 H new ATOM 1074 N ALA A 71 0.409 -30.542 -6.794 1.00 0.00 N ATOM 1075 CA ALA A 71 0.426 -31.462 -7.924 1.00 0.00 C ATOM 1076 C ALA A 71 -0.648 -31.098 -8.944 1.00 0.00 C ATOM 1077 O ALA A 71 -0.432 -31.203 -10.151 1.00 0.00 O ATOM 1078 CB ALA A 71 0.235 -32.893 -7.442 1.00 0.00 C ATOM 0 H ALA A 71 -0.452 -30.561 -6.247 1.00 0.00 H new ATOM 0 HA ALA A 71 1.397 -31.381 -8.413 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.250 -33.570 -8.296 1.00 0.00 H new ATOM 0 HB2 ALA A 71 1.040 -33.157 -6.756 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.722 -32.979 -6.928 1.00 0.00 H new ATOM 1084 N GLY A 72 -1.806 -30.670 -8.451 1.00 0.00 N ATOM 1085 CA GLY A 72 -2.896 -30.297 -9.334 1.00 0.00 C ATOM 1086 C GLY A 72 -4.163 -29.952 -8.576 1.00 0.00 C ATOM 1087 O GLY A 72 -4.159 -29.799 -7.355 1.00 0.00 O ATOM 0 H GLY A 72 -2.009 -30.575 -7.456 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -2.594 -29.442 -9.939 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -3.100 -31.118 -10.022 1.00 0.00 H new ATOM 1091 N PRO A 73 -5.278 -29.822 -9.310 1.00 0.00 N ATOM 1092 CA PRO A 73 -6.579 -29.489 -8.720 1.00 0.00 C ATOM 1093 C PRO A 73 -7.145 -30.631 -7.883 1.00 0.00 C ATOM 1094 O PRO A 73 -6.943 -31.804 -8.198 1.00 0.00 O ATOM 1095 CB PRO A 73 -7.466 -29.230 -9.941 1.00 0.00 C ATOM 1096 CG PRO A 73 -6.835 -30.014 -11.040 1.00 0.00 C ATOM 1097 CD PRO A 73 -5.356 -29.990 -10.770 1.00 0.00 C ATOM 0 HA PRO A 73 -6.512 -28.642 -8.037 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -8.491 -29.554 -9.762 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -7.505 -28.168 -10.184 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.212 -31.037 -11.056 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -7.061 -29.575 -12.012 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -4.873 -30.912 -11.095 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -4.865 -29.171 -11.295 1.00 0.00 H new ATOM 1105 N ASP A 74 -7.854 -30.280 -6.816 1.00 0.00 N ATOM 1106 CA ASP A 74 -8.451 -31.276 -5.934 1.00 0.00 C ATOM 1107 C ASP A 74 -9.973 -31.170 -5.945 1.00 0.00 C ATOM 1108 O ASP A 74 -10.671 -32.142 -6.230 1.00 0.00 O ATOM 1109 CB ASP A 74 -7.927 -31.105 -4.507 1.00 0.00 C ATOM 1110 CG ASP A 74 -7.877 -29.651 -4.079 1.00 0.00 C ATOM 1111 OD1 ASP A 74 -7.134 -28.871 -4.711 1.00 0.00 O ATOM 1112 OD2 ASP A 74 -8.582 -29.294 -3.113 1.00 0.00 O ATOM 0 H ASP A 74 -8.029 -29.314 -6.541 1.00 0.00 H new ATOM 0 HA ASP A 74 -8.170 -32.263 -6.300 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -8.565 -31.661 -3.820 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -6.929 -31.536 -4.436 1.00 0.00 H new ATOM 1117 N GLY A 75 -10.481 -29.981 -5.632 1.00 0.00 N ATOM 1118 CA GLY A 75 -11.916 -29.770 -5.611 1.00 0.00 C ATOM 1119 C GLY A 75 -12.286 -28.300 -5.560 1.00 0.00 C ATOM 1120 O GLY A 75 -12.414 -27.723 -4.480 1.00 0.00 O ATOM 0 H GLY A 75 -9.924 -29.161 -5.393 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -12.360 -30.222 -6.498 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -12.342 -30.279 -4.746 1.00 0.00 H new ATOM 1124 N VAL A 76 -12.455 -27.693 -6.730 1.00 0.00 N ATOM 1125 CA VAL A 76 -12.811 -26.281 -6.814 1.00 0.00 C ATOM 1126 C VAL A 76 -13.768 -26.024 -7.972 1.00 0.00 C ATOM 1127 O VAL A 76 -13.566 -26.521 -9.079 1.00 0.00 O ATOM 1128 CB VAL A 76 -11.562 -25.397 -6.987 1.00 0.00 C ATOM 1129 CG1 VAL A 76 -10.680 -25.932 -8.105 1.00 0.00 C ATOM 1130 CG2 VAL A 76 -11.965 -23.955 -7.259 1.00 0.00 C ATOM 0 H VAL A 76 -12.351 -28.156 -7.633 1.00 0.00 H new ATOM 0 HA VAL A 76 -13.303 -26.022 -5.876 1.00 0.00 H new ATOM 0 HB VAL A 76 -10.988 -25.422 -6.060 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -9.802 -25.295 -8.213 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -10.364 -26.947 -7.865 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -11.241 -25.938 -9.040 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -11.071 -23.344 -7.379 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -12.560 -23.909 -8.171 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -12.553 -23.578 -6.422 1.00 0.00 H new ATOM 1140 N GLU A 77 -14.811 -25.243 -7.709 1.00 0.00 N ATOM 1141 CA GLU A 77 -15.800 -24.920 -8.730 1.00 0.00 C ATOM 1142 C GLU A 77 -15.989 -23.410 -8.846 1.00 0.00 C ATOM 1143 O GLU A 77 -15.744 -22.822 -9.899 1.00 0.00 O ATOM 1144 CB GLU A 77 -17.138 -25.589 -8.407 1.00 0.00 C ATOM 1145 CG GLU A 77 -17.230 -27.027 -8.887 1.00 0.00 C ATOM 1146 CD GLU A 77 -16.487 -27.993 -7.985 1.00 0.00 C ATOM 1147 OE1 GLU A 77 -16.985 -28.268 -6.873 1.00 0.00 O ATOM 1148 OE2 GLU A 77 -15.409 -28.473 -8.391 1.00 0.00 O ATOM 0 H GLU A 77 -14.993 -24.822 -6.798 1.00 0.00 H new ATOM 0 HA GLU A 77 -15.435 -25.298 -9.685 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -17.296 -25.564 -7.329 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -17.943 -25.011 -8.861 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -18.278 -27.321 -8.942 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -16.826 -27.095 -9.897 1.00 0.00 H new ATOM 1155 N GLY A 78 -16.427 -22.788 -7.756 1.00 0.00 N ATOM 1156 CA GLY A 78 -16.643 -21.353 -7.755 1.00 0.00 C ATOM 1157 C GLY A 78 -18.004 -20.971 -8.301 1.00 0.00 C ATOM 1158 O GLY A 78 -18.169 -20.798 -9.508 1.00 0.00 O ATOM 0 H GLY A 78 -16.636 -23.253 -6.873 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -16.544 -20.975 -6.738 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -15.868 -20.872 -8.351 1.00 0.00 H new ATOM 1162 N GLU A 79 -18.982 -20.841 -7.411 1.00 0.00 N ATOM 1163 CA GLU A 79 -20.337 -20.480 -7.812 1.00 0.00 C ATOM 1164 C GLU A 79 -21.057 -19.738 -6.689 1.00 0.00 C ATOM 1165 O GLU A 79 -21.272 -20.284 -5.608 1.00 0.00 O ATOM 1166 CB GLU A 79 -21.128 -21.730 -8.201 1.00 0.00 C ATOM 1167 CG GLU A 79 -22.527 -21.430 -8.712 1.00 0.00 C ATOM 1168 CD GLU A 79 -23.425 -22.652 -8.705 1.00 0.00 C ATOM 1169 OE1 GLU A 79 -23.425 -23.393 -9.711 1.00 0.00 O ATOM 1170 OE2 GLU A 79 -24.127 -22.867 -7.696 1.00 0.00 O ATOM 0 H GLU A 79 -18.862 -20.980 -6.408 1.00 0.00 H new ATOM 0 HA GLU A 79 -20.269 -19.819 -8.676 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -20.578 -22.273 -8.970 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -21.200 -22.388 -7.335 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -22.975 -20.651 -8.096 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -22.463 -21.037 -9.727 1.00 0.00 H new ATOM 1177 N ASN A 80 -21.426 -18.489 -6.955 1.00 0.00 N ATOM 1178 CA ASN A 80 -22.120 -17.670 -5.968 1.00 0.00 C ATOM 1179 C ASN A 80 -22.541 -16.333 -6.569 1.00 0.00 C ATOM 1180 O ASN A 80 -21.789 -15.716 -7.323 1.00 0.00 O ATOM 1181 CB ASN A 80 -21.226 -17.436 -4.749 1.00 0.00 C ATOM 1182 CG ASN A 80 -19.802 -17.086 -5.135 1.00 0.00 C ATOM 1183 OD1 ASN A 80 -19.004 -17.962 -5.467 1.00 0.00 O ATOM 1184 ND2 ASN A 80 -19.477 -15.799 -5.093 1.00 0.00 N ATOM 0 H ASN A 80 -21.256 -18.022 -7.846 1.00 0.00 H new ATOM 0 HA ASN A 80 -23.017 -18.205 -5.655 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -21.644 -16.631 -4.145 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -21.221 -18.332 -4.128 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -18.533 -15.503 -5.342 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -20.171 -15.107 -4.812 1.00 0.00 H new ATOM 1191 N SER A 81 -23.747 -15.890 -6.228 1.00 0.00 N ATOM 1192 CA SER A 81 -24.270 -14.627 -6.737 1.00 0.00 C ATOM 1193 C SER A 81 -23.952 -13.483 -5.778 1.00 0.00 C ATOM 1194 O SER A 81 -23.398 -13.696 -4.701 1.00 0.00 O ATOM 1195 CB SER A 81 -25.782 -14.725 -6.949 1.00 0.00 C ATOM 1196 OG SER A 81 -26.469 -14.765 -5.710 1.00 0.00 O ATOM 0 H SER A 81 -24.380 -16.387 -5.601 1.00 0.00 H new ATOM 0 HA SER A 81 -23.789 -14.421 -7.693 1.00 0.00 H new ATOM 0 HB2 SER A 81 -26.127 -13.871 -7.532 1.00 0.00 H new ATOM 0 HB3 SER A 81 -26.014 -15.620 -7.526 1.00 0.00 H new ATOM 0 HG SER A 81 -27.434 -14.826 -5.873 1.00 0.00 H new ATOM 1202 N GLY A 82 -24.308 -12.267 -6.180 1.00 0.00 N ATOM 1203 CA GLY A 82 -24.054 -11.106 -5.347 1.00 0.00 C ATOM 1204 C GLY A 82 -24.951 -9.935 -5.694 1.00 0.00 C ATOM 1205 O GLY A 82 -24.606 -9.081 -6.512 1.00 0.00 O ATOM 0 H GLY A 82 -24.768 -12.065 -7.068 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -24.201 -11.374 -4.301 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -23.012 -10.806 -5.456 1.00 0.00 H new ATOM 1209 N PRO A 83 -26.135 -9.885 -5.065 1.00 0.00 N ATOM 1210 CA PRO A 83 -27.110 -8.815 -5.297 1.00 0.00 C ATOM 1211 C PRO A 83 -26.644 -7.475 -4.737 1.00 0.00 C ATOM 1212 O PRO A 83 -25.566 -7.377 -4.151 1.00 0.00 O ATOM 1213 CB PRO A 83 -28.355 -9.302 -4.552 1.00 0.00 C ATOM 1214 CG PRO A 83 -27.832 -10.211 -3.494 1.00 0.00 C ATOM 1215 CD PRO A 83 -26.612 -10.868 -4.079 1.00 0.00 C ATOM 0 HA PRO A 83 -27.275 -8.637 -6.360 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -28.909 -8.469 -4.120 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -29.038 -9.825 -5.222 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -27.581 -9.655 -2.591 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -28.579 -10.954 -3.213 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -25.860 -11.070 -3.317 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -26.855 -11.822 -4.548 1.00 0.00 H new ATOM 1223 N SER A 84 -27.464 -6.445 -4.920 1.00 0.00 N ATOM 1224 CA SER A 84 -27.135 -5.110 -4.435 1.00 0.00 C ATOM 1225 C SER A 84 -28.325 -4.485 -3.713 1.00 0.00 C ATOM 1226 O SER A 84 -28.634 -3.309 -3.907 1.00 0.00 O ATOM 1227 CB SER A 84 -26.701 -4.215 -5.598 1.00 0.00 C ATOM 1228 OG SER A 84 -27.654 -4.243 -6.646 1.00 0.00 O ATOM 0 H SER A 84 -28.361 -6.510 -5.401 1.00 0.00 H new ATOM 0 HA SER A 84 -26.311 -5.200 -3.728 1.00 0.00 H new ATOM 0 HB2 SER A 84 -26.574 -3.192 -5.245 1.00 0.00 H new ATOM 0 HB3 SER A 84 -25.733 -4.546 -5.974 1.00 0.00 H new ATOM 0 HG SER A 84 -27.354 -3.662 -7.376 1.00 0.00 H new ATOM 1234 N SER A 85 -28.988 -5.280 -2.880 1.00 0.00 N ATOM 1235 CA SER A 85 -30.147 -4.808 -2.132 1.00 0.00 C ATOM 1236 C SER A 85 -29.961 -3.355 -1.703 1.00 0.00 C ATOM 1237 O SER A 85 -30.820 -2.509 -1.947 1.00 0.00 O ATOM 1238 CB SER A 85 -30.380 -5.688 -0.903 1.00 0.00 C ATOM 1239 OG SER A 85 -30.604 -7.037 -1.277 1.00 0.00 O ATOM 0 H SER A 85 -28.742 -6.255 -2.706 1.00 0.00 H new ATOM 0 HA SER A 85 -31.019 -4.868 -2.784 1.00 0.00 H new ATOM 0 HB2 SER A 85 -29.516 -5.629 -0.241 1.00 0.00 H new ATOM 0 HB3 SER A 85 -31.237 -5.316 -0.342 1.00 0.00 H new ATOM 0 HG SER A 85 -30.749 -7.579 -0.474 1.00 0.00 H new ATOM 1245 N GLY A 86 -28.831 -3.074 -1.061 1.00 0.00 N ATOM 1246 CA GLY A 86 -28.551 -1.725 -0.607 1.00 0.00 C ATOM 1247 C GLY A 86 -29.481 -1.282 0.505 1.00 0.00 C ATOM 1248 O GLY A 86 -30.586 -1.812 0.608 1.00 0.00 O ATOM 0 H GLY A 86 -28.104 -3.757 -0.847 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -27.520 -1.669 -0.258 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -28.641 -1.036 -1.447 1.00 0.00 H new TER 1252 GLY A 86 HETATM 1253 ZN ZN A 201 -13.412 5.556 -7.418 1.00 0.00 ZN HETATM 1254 ZN ZN A 401 -1.428 -25.186 -6.353 1.00 0.00 ZN