USER MOD reduce.3.24.130724 H: found=0, std=0, add=727, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 723 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 42 HIS HE2 : A 42 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 76 HIS HE2 : A 76 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 62 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 82 GLN : amide:sc= -0.96 X(o=-0.96,f=-1.2) USER MOD Set 2.1: A 17 THR OG1 : rot 177:sc= 0.597 USER MOD Set 2.2: A 89 GLN :FLIP amide:sc= -5.83! C(o=-9.1!,f=-5.2!) USER MOD Single : A 1 GLY N :NH3+ -175:sc= 0 (180deg=-0.0299) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 36:sc= 0.664 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 27:sc= 0.52 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -3.71! C(o=-3.7!,f=-4.9!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 139:sc= 0.504 (180deg=0.021) USER MOD Single : A 27 GLN :FLIP amide:sc= -2.39! C(o=-3.4!,f=-2.4!) USER MOD Single : A 30 ASN : amide:sc= -1.98 K(o=-2,f=-10!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 83:sc= 0.111 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN :FLIP amide:sc= -2.52! F(o=-3.2,f=-2.5!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl -112:sc= -0.148 (180deg=-1.02) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 HIS :FLIP no HE2:sc= -10.7! C(o=-13!,f=-11!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 ASN : amide:sc= -0.812 K(o=-0.81,f=-2!) USER MOD Single : A 94 GLN : amide:sc= -0.496 X(o=-0.5,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 27.088 1.151 -30.280 1.00 0.00 N ATOM 2 CA GLY A 1 26.874 2.151 -31.310 1.00 0.00 C ATOM 3 C GLY A 1 26.164 1.589 -32.525 1.00 0.00 C ATOM 4 O GLY A 1 25.275 2.230 -33.085 1.00 0.00 O ATOM 0 H1 GLY A 1 27.499 1.602 -29.438 1.00 0.00 H new ATOM 0 H2 GLY A 1 26.179 0.712 -30.028 1.00 0.00 H new ATOM 0 H3 GLY A 1 27.739 0.421 -30.634 1.00 0.00 H new ATOM 0 HA2 GLY A 1 26.288 2.973 -30.898 1.00 0.00 H new ATOM 0 HA3 GLY A 1 27.835 2.566 -31.614 1.00 0.00 H new ATOM 8 N SER A 2 26.558 0.387 -32.936 1.00 0.00 N ATOM 9 CA SER A 2 25.956 -0.259 -34.097 1.00 0.00 C ATOM 10 C SER A 2 24.434 -0.186 -34.031 1.00 0.00 C ATOM 11 O SER A 2 23.755 -0.228 -35.057 1.00 0.00 O ATOM 12 CB SER A 2 26.405 -1.719 -34.184 1.00 0.00 C ATOM 13 OG SER A 2 26.245 -2.377 -32.939 1.00 0.00 O ATOM 0 H SER A 2 27.291 -0.159 -32.482 1.00 0.00 H new ATOM 0 HA SER A 2 26.289 0.270 -34.990 1.00 0.00 H new ATOM 0 HB2 SER A 2 25.826 -2.236 -34.949 1.00 0.00 H new ATOM 0 HB3 SER A 2 27.450 -1.764 -34.491 1.00 0.00 H new ATOM 0 HG SER A 2 26.537 -3.309 -33.022 1.00 0.00 H new ATOM 19 N SER A 3 23.905 -0.078 -32.816 1.00 0.00 N ATOM 20 CA SER A 3 22.462 -0.003 -32.615 1.00 0.00 C ATOM 21 C SER A 3 21.863 1.155 -33.406 1.00 0.00 C ATOM 22 O SER A 3 22.551 2.120 -33.734 1.00 0.00 O ATOM 23 CB SER A 3 22.142 0.160 -31.128 1.00 0.00 C ATOM 24 OG SER A 3 22.504 1.450 -30.666 1.00 0.00 O ATOM 0 H SER A 3 24.453 -0.041 -31.957 1.00 0.00 H new ATOM 0 HA SER A 3 22.020 -0.932 -32.975 1.00 0.00 H new ATOM 0 HB2 SER A 3 21.077 -0.003 -30.962 1.00 0.00 H new ATOM 0 HB3 SER A 3 22.674 -0.598 -30.553 1.00 0.00 H new ATOM 0 HG SER A 3 22.288 1.529 -29.713 1.00 0.00 H new ATOM 30 N GLY A 4 20.572 1.051 -33.709 1.00 0.00 N ATOM 31 CA GLY A 4 19.900 2.096 -34.460 1.00 0.00 C ATOM 32 C GLY A 4 18.460 1.745 -34.779 1.00 0.00 C ATOM 33 O GLY A 4 18.179 1.114 -35.798 1.00 0.00 O ATOM 0 H GLY A 4 19.980 0.262 -33.448 1.00 0.00 H new ATOM 0 HA2 GLY A 4 19.927 3.024 -33.889 1.00 0.00 H new ATOM 0 HA3 GLY A 4 20.441 2.277 -35.389 1.00 0.00 H new ATOM 37 N SER A 5 17.545 2.154 -33.905 1.00 0.00 N ATOM 38 CA SER A 5 16.127 1.875 -34.096 1.00 0.00 C ATOM 39 C SER A 5 15.270 2.819 -33.259 1.00 0.00 C ATOM 40 O SER A 5 15.788 3.622 -32.483 1.00 0.00 O ATOM 41 CB SER A 5 15.817 0.423 -33.726 1.00 0.00 C ATOM 42 OG SER A 5 15.969 -0.432 -34.846 1.00 0.00 O ATOM 0 H SER A 5 17.761 2.680 -33.058 1.00 0.00 H new ATOM 0 HA SER A 5 15.889 2.033 -35.148 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.481 0.099 -32.924 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.798 0.351 -33.345 1.00 0.00 H new ATOM 0 HG SER A 5 16.715 -0.118 -35.398 1.00 0.00 H new ATOM 48 N SER A 6 13.955 2.716 -33.423 1.00 0.00 N ATOM 49 CA SER A 6 13.024 3.563 -32.685 1.00 0.00 C ATOM 50 C SER A 6 11.624 2.957 -32.683 1.00 0.00 C ATOM 51 O SER A 6 11.371 1.947 -33.337 1.00 0.00 O ATOM 52 CB SER A 6 12.984 4.965 -33.296 1.00 0.00 C ATOM 53 OG SER A 6 12.250 4.973 -34.508 1.00 0.00 O ATOM 0 H SER A 6 13.510 2.055 -34.060 1.00 0.00 H new ATOM 0 HA SER A 6 13.373 3.633 -31.655 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.532 5.660 -32.589 1.00 0.00 H new ATOM 0 HB3 SER A 6 14.000 5.314 -33.480 1.00 0.00 H new ATOM 0 HG SER A 6 12.238 5.881 -34.877 1.00 0.00 H new ATOM 59 N GLY A 7 10.716 3.583 -31.939 1.00 0.00 N ATOM 60 CA GLY A 7 9.353 3.092 -31.864 1.00 0.00 C ATOM 61 C GLY A 7 8.341 4.211 -31.717 1.00 0.00 C ATOM 62 O GLY A 7 8.703 5.349 -31.415 1.00 0.00 O ATOM 0 H GLY A 7 10.901 4.421 -31.387 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.127 2.518 -32.762 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.262 2.410 -31.018 1.00 0.00 H new ATOM 66 N SER A 8 7.070 3.890 -31.933 1.00 0.00 N ATOM 67 CA SER A 8 6.003 4.878 -31.828 1.00 0.00 C ATOM 68 C SER A 8 4.881 4.373 -30.925 1.00 0.00 C ATOM 69 O SER A 8 4.153 3.445 -31.279 1.00 0.00 O ATOM 70 CB SER A 8 5.447 5.209 -33.214 1.00 0.00 C ATOM 71 OG SER A 8 4.343 6.093 -33.124 1.00 0.00 O ATOM 0 H SER A 8 6.754 2.953 -32.182 1.00 0.00 H new ATOM 0 HA SER A 8 6.422 5.782 -31.387 1.00 0.00 H new ATOM 0 HB2 SER A 8 6.229 5.660 -33.825 1.00 0.00 H new ATOM 0 HB3 SER A 8 5.141 4.291 -33.715 1.00 0.00 H new ATOM 0 HG SER A 8 4.007 6.290 -34.023 1.00 0.00 H new ATOM 77 N THR A 9 4.747 4.992 -29.756 1.00 0.00 N ATOM 78 CA THR A 9 3.716 4.606 -28.801 1.00 0.00 C ATOM 79 C THR A 9 2.849 5.799 -28.415 1.00 0.00 C ATOM 80 O THR A 9 3.355 6.819 -27.948 1.00 0.00 O ATOM 81 CB THR A 9 4.330 3.997 -27.526 1.00 0.00 C ATOM 82 OG1 THR A 9 5.147 4.969 -26.865 1.00 0.00 O ATOM 83 CG2 THR A 9 5.163 2.769 -27.860 1.00 0.00 C ATOM 0 H THR A 9 5.340 5.763 -29.448 1.00 0.00 H new ATOM 0 HA THR A 9 3.097 3.855 -29.291 1.00 0.00 H new ATOM 0 HB THR A 9 3.517 3.696 -26.865 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.828 5.869 -27.086 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.586 2.356 -26.944 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.531 2.020 -28.338 1.00 0.00 H new ATOM 0 HG23 THR A 9 5.969 3.050 -28.538 1.00 0.00 H new ATOM 91 N ALA A 10 1.542 5.664 -28.613 1.00 0.00 N ATOM 92 CA ALA A 10 0.605 6.731 -28.282 1.00 0.00 C ATOM 93 C ALA A 10 0.473 6.897 -26.772 1.00 0.00 C ATOM 94 O ALA A 10 0.696 7.981 -26.234 1.00 0.00 O ATOM 95 CB ALA A 10 -0.754 6.452 -28.906 1.00 0.00 C ATOM 0 H ALA A 10 1.108 4.827 -29.001 1.00 0.00 H new ATOM 0 HA ALA A 10 0.995 7.663 -28.690 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.444 7.257 -28.651 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.651 6.392 -29.990 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -1.142 5.507 -28.525 1.00 0.00 H new ATOM 101 N THR A 11 0.107 5.814 -26.093 1.00 0.00 N ATOM 102 CA THR A 11 -0.058 5.840 -24.645 1.00 0.00 C ATOM 103 C THR A 11 -0.688 7.151 -24.186 1.00 0.00 C ATOM 104 O THR A 11 -0.222 7.773 -23.233 1.00 0.00 O ATOM 105 CB THR A 11 1.290 5.652 -23.923 1.00 0.00 C ATOM 106 OG1 THR A 11 2.140 4.791 -24.689 1.00 0.00 O ATOM 107 CG2 THR A 11 1.083 5.065 -22.535 1.00 0.00 C ATOM 0 H THR A 11 -0.081 4.908 -26.523 1.00 0.00 H new ATOM 0 HA THR A 11 -0.719 5.013 -24.388 1.00 0.00 H new ATOM 0 HB THR A 11 1.762 6.629 -23.820 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.995 4.678 -24.224 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.049 4.941 -22.045 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.460 5.737 -21.945 1.00 0.00 H new ATOM 0 HG23 THR A 11 0.592 4.095 -22.619 1.00 0.00 H new ATOM 115 N GLN A 12 -1.750 7.562 -24.872 1.00 0.00 N ATOM 116 CA GLN A 12 -2.444 8.800 -24.533 1.00 0.00 C ATOM 117 C GLN A 12 -3.608 8.529 -23.586 1.00 0.00 C ATOM 118 O GLN A 12 -4.716 8.213 -24.020 1.00 0.00 O ATOM 119 CB GLN A 12 -2.952 9.487 -25.802 1.00 0.00 C ATOM 120 CG GLN A 12 -3.240 10.968 -25.617 1.00 0.00 C ATOM 121 CD GLN A 12 -4.220 11.237 -24.492 1.00 0.00 C ATOM 122 OE1 GLN A 12 -5.227 10.543 -24.352 1.00 0.00 O ATOM 123 NE2 GLN A 12 -3.929 12.248 -23.683 1.00 0.00 N ATOM 0 H GLN A 12 -2.148 7.057 -25.664 1.00 0.00 H new ATOM 0 HA GLN A 12 -1.736 9.459 -24.030 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -2.212 9.365 -26.593 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -3.861 8.987 -26.137 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -2.307 11.493 -25.414 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -3.639 11.375 -26.546 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -3.083 12.797 -23.836 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -4.551 12.476 -22.908 1.00 0.00 H new ATOM 132 N LYS A 13 -3.349 8.655 -22.289 1.00 0.00 N ATOM 133 CA LYS A 13 -4.375 8.426 -21.278 1.00 0.00 C ATOM 134 C LYS A 13 -4.510 9.633 -20.355 1.00 0.00 C ATOM 135 O LYS A 13 -3.745 10.594 -20.458 1.00 0.00 O ATOM 136 CB LYS A 13 -4.042 7.178 -20.457 1.00 0.00 C ATOM 137 CG LYS A 13 -3.999 5.902 -21.280 1.00 0.00 C ATOM 138 CD LYS A 13 -3.104 4.854 -20.639 1.00 0.00 C ATOM 139 CE LYS A 13 -3.733 4.281 -19.378 1.00 0.00 C ATOM 140 NZ LYS A 13 -4.703 3.194 -19.687 1.00 0.00 N ATOM 0 H LYS A 13 -2.437 8.915 -21.913 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.325 8.274 -21.790 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.077 7.320 -19.971 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.783 7.065 -19.666 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.008 5.503 -21.388 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.636 6.127 -22.283 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.916 4.050 -21.351 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -2.138 5.298 -20.396 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -2.950 3.895 -18.725 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -4.240 5.076 -18.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.110 2.830 -18.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.464 3.568 -20.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -4.214 2.424 -20.186 1.00 0.00 H new ATOM 154 N LEU A 14 -5.484 9.577 -19.454 1.00 0.00 N ATOM 155 CA LEU A 14 -5.717 10.666 -18.512 1.00 0.00 C ATOM 156 C LEU A 14 -5.386 10.233 -17.087 1.00 0.00 C ATOM 157 O LEU A 14 -5.301 9.040 -16.793 1.00 0.00 O ATOM 158 CB LEU A 14 -7.173 11.131 -18.590 1.00 0.00 C ATOM 159 CG LEU A 14 -8.225 10.129 -18.115 1.00 0.00 C ATOM 160 CD1 LEU A 14 -9.458 10.853 -17.598 1.00 0.00 C ATOM 161 CD2 LEU A 14 -8.597 9.173 -19.240 1.00 0.00 C ATOM 0 H LEU A 14 -6.125 8.790 -19.356 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.062 11.494 -18.782 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -7.275 12.041 -17.999 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.394 11.396 -19.624 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.801 9.548 -17.296 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -10.195 10.123 -17.264 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -9.179 11.495 -16.762 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -9.884 11.461 -18.396 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -9.347 8.467 -18.884 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -9.001 9.739 -20.080 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.710 8.628 -19.563 1.00 0.00 H new ATOM 173 N LEU A 15 -5.202 11.210 -16.206 1.00 0.00 N ATOM 174 CA LEU A 15 -4.882 10.930 -14.810 1.00 0.00 C ATOM 175 C LEU A 15 -5.667 9.725 -14.302 1.00 0.00 C ATOM 176 O LEU A 15 -6.835 9.544 -14.644 1.00 0.00 O ATOM 177 CB LEU A 15 -5.185 12.153 -13.942 1.00 0.00 C ATOM 178 CG LEU A 15 -6.659 12.398 -13.620 1.00 0.00 C ATOM 179 CD1 LEU A 15 -6.800 13.165 -12.314 1.00 0.00 C ATOM 180 CD2 LEU A 15 -7.336 13.150 -14.757 1.00 0.00 C ATOM 0 H LEU A 15 -5.269 12.202 -16.433 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.818 10.700 -14.746 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.641 12.051 -13.003 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.792 13.037 -14.444 1.00 0.00 H new ATOM 0 HG LEU A 15 -7.151 11.432 -13.506 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -7.856 13.330 -12.101 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -6.352 12.589 -11.504 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.293 14.126 -12.400 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -8.385 13.315 -14.510 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -6.842 14.110 -14.903 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -7.267 12.563 -15.673 1.00 0.00 H new ATOM 192 N ARG A 16 -5.017 8.905 -13.482 1.00 0.00 N ATOM 193 CA ARG A 16 -5.654 7.717 -12.926 1.00 0.00 C ATOM 194 C ARG A 16 -5.208 7.485 -11.486 1.00 0.00 C ATOM 195 O ARG A 16 -4.024 7.593 -11.165 1.00 0.00 O ATOM 196 CB ARG A 16 -5.325 6.490 -13.778 1.00 0.00 C ATOM 197 CG ARG A 16 -6.355 5.378 -13.668 1.00 0.00 C ATOM 198 CD ARG A 16 -7.525 5.608 -14.613 1.00 0.00 C ATOM 199 NE ARG A 16 -7.108 5.599 -16.012 1.00 0.00 N ATOM 200 CZ ARG A 16 -7.884 5.184 -17.007 1.00 0.00 C ATOM 201 NH1 ARG A 16 -9.110 4.746 -16.758 1.00 0.00 N ATOM 202 NH2 ARG A 16 -7.433 5.206 -18.255 1.00 0.00 N ATOM 0 H ARG A 16 -4.050 9.042 -13.188 1.00 0.00 H new ATOM 0 HA ARG A 16 -6.732 7.876 -12.933 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -5.242 6.794 -14.821 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.351 6.102 -13.480 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -5.885 4.421 -13.895 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -6.720 5.319 -12.643 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -8.277 4.835 -14.454 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -7.996 6.563 -14.381 1.00 0.00 H new ATOM 0 HE ARG A 16 -6.170 5.929 -16.238 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -9.460 4.727 -15.800 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -9.703 4.428 -17.524 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -6.490 5.542 -18.451 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -8.029 4.887 -19.019 1.00 0.00 H new ATOM 216 N THR A 17 -6.165 7.166 -10.620 1.00 0.00 N ATOM 217 CA THR A 17 -5.872 6.920 -9.213 1.00 0.00 C ATOM 218 C THR A 17 -5.852 5.426 -8.909 1.00 0.00 C ATOM 219 O THR A 17 -5.239 4.990 -7.934 1.00 0.00 O ATOM 220 CB THR A 17 -6.902 7.606 -8.296 1.00 0.00 C ATOM 221 OG1 THR A 17 -6.630 7.285 -6.928 1.00 0.00 O ATOM 222 CG2 THR A 17 -8.317 7.172 -8.653 1.00 0.00 C ATOM 0 H THR A 17 -7.150 7.072 -10.868 1.00 0.00 H new ATOM 0 HA THR A 17 -4.886 7.341 -9.017 1.00 0.00 H new ATOM 0 HB THR A 17 -6.822 8.684 -8.438 1.00 0.00 H new ATOM 0 HG1 THR A 17 -7.263 7.758 -6.349 1.00 0.00 H new ATOM 0 HG21 THR A 17 -9.028 7.669 -7.993 1.00 0.00 H new ATOM 0 HG22 THR A 17 -8.531 7.444 -9.687 1.00 0.00 H new ATOM 0 HG23 THR A 17 -8.407 6.092 -8.536 1.00 0.00 H new ATOM 230 N ASP A 18 -6.526 4.647 -9.748 1.00 0.00 N ATOM 231 CA ASP A 18 -6.584 3.201 -9.569 1.00 0.00 C ATOM 232 C ASP A 18 -5.395 2.522 -10.242 1.00 0.00 C ATOM 233 O ASP A 18 -5.546 1.500 -10.910 1.00 0.00 O ATOM 234 CB ASP A 18 -7.892 2.648 -10.138 1.00 0.00 C ATOM 235 CG ASP A 18 -8.188 3.176 -11.527 1.00 0.00 C ATOM 236 OD1 ASP A 18 -8.447 4.391 -11.657 1.00 0.00 O ATOM 237 OD2 ASP A 18 -8.162 2.375 -12.485 1.00 0.00 O ATOM 0 H ASP A 18 -7.040 4.993 -10.559 1.00 0.00 H new ATOM 0 HA ASP A 18 -6.543 2.990 -8.500 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -7.840 1.560 -10.170 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -8.714 2.908 -9.471 1.00 0.00 H new ATOM 242 N LYS A 19 -4.211 3.098 -10.061 1.00 0.00 N ATOM 243 CA LYS A 19 -2.995 2.550 -10.649 1.00 0.00 C ATOM 244 C LYS A 19 -1.879 2.466 -9.612 1.00 0.00 C ATOM 245 O LYS A 19 -1.678 3.391 -8.825 1.00 0.00 O ATOM 246 CB LYS A 19 -2.543 3.410 -11.831 1.00 0.00 C ATOM 247 CG LYS A 19 -2.077 4.799 -11.430 1.00 0.00 C ATOM 248 CD LYS A 19 -1.523 5.567 -12.618 1.00 0.00 C ATOM 249 CE LYS A 19 -0.460 6.567 -12.189 1.00 0.00 C ATOM 250 NZ LYS A 19 -1.054 7.877 -11.804 1.00 0.00 N ATOM 0 H LYS A 19 -4.068 3.945 -9.511 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.215 1.543 -11.003 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.732 2.900 -12.351 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.367 3.503 -12.538 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.910 5.351 -10.995 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.311 4.718 -10.659 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -1.097 4.868 -13.338 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.334 6.091 -13.124 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.101 6.161 -11.347 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.249 6.715 -13.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.571 8.242 -10.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.941 8.553 -12.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -2.066 7.752 -11.598 1.00 0.00 H new ATOM 264 N LEU A 20 -1.156 1.351 -9.618 1.00 0.00 N ATOM 265 CA LEU A 20 -0.059 1.147 -8.678 1.00 0.00 C ATOM 266 C LEU A 20 1.230 0.796 -9.415 1.00 0.00 C ATOM 267 O LEU A 20 1.270 -0.153 -10.198 1.00 0.00 O ATOM 268 CB LEU A 20 -0.411 0.037 -7.686 1.00 0.00 C ATOM 269 CG LEU A 20 -1.120 0.481 -6.406 1.00 0.00 C ATOM 270 CD1 LEU A 20 -1.882 -0.680 -5.787 1.00 0.00 C ATOM 271 CD2 LEU A 20 -0.118 1.054 -5.414 1.00 0.00 C ATOM 0 H LEU A 20 -1.309 0.575 -10.262 1.00 0.00 H new ATOM 0 HA LEU A 20 0.097 2.077 -8.132 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.044 -0.690 -8.195 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.508 -0.479 -7.408 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.836 1.262 -6.662 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.380 -0.345 -4.877 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.626 -1.045 -6.495 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.187 -1.484 -5.545 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.639 1.365 -4.509 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.622 0.294 -5.164 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.382 1.914 -5.858 1.00 0.00 H new ATOM 283 N GLU A 21 2.282 1.566 -9.156 1.00 0.00 N ATOM 284 CA GLU A 21 3.573 1.335 -9.794 1.00 0.00 C ATOM 285 C GLU A 21 4.120 -0.043 -9.431 1.00 0.00 C ATOM 286 O GLU A 21 4.234 -0.388 -8.255 1.00 0.00 O ATOM 287 CB GLU A 21 4.572 2.418 -9.380 1.00 0.00 C ATOM 288 CG GLU A 21 4.532 3.653 -10.265 1.00 0.00 C ATOM 289 CD GLU A 21 3.551 4.696 -9.765 1.00 0.00 C ATOM 290 OE1 GLU A 21 2.486 4.307 -9.241 1.00 0.00 O ATOM 291 OE2 GLU A 21 3.848 5.901 -9.900 1.00 0.00 O ATOM 0 H GLU A 21 2.266 2.355 -8.509 1.00 0.00 H new ATOM 0 HA GLU A 21 3.429 1.377 -10.874 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.370 2.713 -8.350 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.578 1.999 -9.400 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.529 4.092 -10.316 1.00 0.00 H new ATOM 0 HG3 GLU A 21 4.260 3.360 -11.279 1.00 0.00 H new ATOM 298 N VAL A 22 4.456 -0.826 -10.451 1.00 0.00 N ATOM 299 CA VAL A 22 4.991 -2.166 -10.241 1.00 0.00 C ATOM 300 C VAL A 22 6.485 -2.120 -9.941 1.00 0.00 C ATOM 301 O VAL A 22 7.247 -1.440 -10.629 1.00 0.00 O ATOM 302 CB VAL A 22 4.753 -3.065 -11.469 1.00 0.00 C ATOM 303 CG1 VAL A 22 5.698 -4.256 -11.451 1.00 0.00 C ATOM 304 CG2 VAL A 22 3.303 -3.524 -11.520 1.00 0.00 C ATOM 0 H VAL A 22 4.367 -0.556 -11.431 1.00 0.00 H new ATOM 0 HA VAL A 22 4.464 -2.586 -9.385 1.00 0.00 H new ATOM 0 HB VAL A 22 4.958 -2.484 -12.368 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.515 -4.879 -12.326 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.729 -3.903 -11.467 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.529 -4.841 -10.547 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.153 -4.158 -12.394 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.068 -4.088 -10.617 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.648 -2.655 -11.585 1.00 0.00 H new ATOM 314 N CYS A 23 6.898 -2.849 -8.909 1.00 0.00 N ATOM 315 CA CYS A 23 8.302 -2.892 -8.517 1.00 0.00 C ATOM 316 C CYS A 23 9.121 -3.704 -9.516 1.00 0.00 C ATOM 317 O CYS A 23 8.947 -4.917 -9.637 1.00 0.00 O ATOM 318 CB CYS A 23 8.443 -3.493 -7.117 1.00 0.00 C ATOM 319 SG CYS A 23 9.865 -2.856 -6.174 1.00 0.00 S ATOM 0 H CYS A 23 6.281 -3.418 -8.329 1.00 0.00 H new ATOM 0 HA CYS A 23 8.683 -1.871 -8.507 1.00 0.00 H new ATOM 0 HB2 CYS A 23 7.530 -3.296 -6.555 1.00 0.00 H new ATOM 0 HB3 CYS A 23 8.535 -4.575 -7.206 1.00 0.00 H new ATOM 324 N ARG A 24 10.014 -3.026 -10.229 1.00 0.00 N ATOM 325 CA ARG A 24 10.860 -3.684 -11.218 1.00 0.00 C ATOM 326 C ARG A 24 11.808 -4.675 -10.550 1.00 0.00 C ATOM 327 O ARG A 24 12.117 -5.726 -11.110 1.00 0.00 O ATOM 328 CB ARG A 24 11.662 -2.646 -12.006 1.00 0.00 C ATOM 329 CG ARG A 24 10.854 -1.939 -13.082 1.00 0.00 C ATOM 330 CD ARG A 24 11.731 -1.517 -14.250 1.00 0.00 C ATOM 331 NE ARG A 24 11.011 -0.668 -15.196 1.00 0.00 N ATOM 332 CZ ARG A 24 11.475 -0.350 -16.399 1.00 0.00 C ATOM 333 NH1 ARG A 24 12.652 -0.809 -16.801 1.00 0.00 N ATOM 334 NH2 ARG A 24 10.762 0.428 -17.203 1.00 0.00 N ATOM 0 H ARG A 24 10.171 -2.022 -10.141 1.00 0.00 H new ATOM 0 HA ARG A 24 10.214 -4.232 -11.904 1.00 0.00 H new ATOM 0 HB2 ARG A 24 12.057 -1.903 -11.313 1.00 0.00 H new ATOM 0 HB3 ARG A 24 12.518 -3.136 -12.470 1.00 0.00 H new ATOM 0 HG2 ARG A 24 10.064 -2.600 -13.439 1.00 0.00 H new ATOM 0 HG3 ARG A 24 10.367 -1.062 -12.656 1.00 0.00 H new ATOM 0 HD2 ARG A 24 12.603 -0.982 -13.874 1.00 0.00 H new ATOM 0 HD3 ARG A 24 12.099 -2.404 -14.766 1.00 0.00 H new ATOM 0 HE ARG A 24 10.102 -0.299 -14.917 1.00 0.00 H new ATOM 0 HH11 ARG A 24 13.203 -1.408 -16.186 1.00 0.00 H new ATOM 0 HH12 ARG A 24 13.006 -0.564 -17.725 1.00 0.00 H new ATOM 0 HH21 ARG A 24 9.856 0.783 -16.897 1.00 0.00 H new ATOM 0 HH22 ARG A 24 11.120 0.671 -18.127 1.00 0.00 H new ATOM 348 N GLU A 25 12.266 -4.332 -9.350 1.00 0.00 N ATOM 349 CA GLU A 25 13.180 -5.191 -8.607 1.00 0.00 C ATOM 350 C GLU A 25 12.524 -6.531 -8.283 1.00 0.00 C ATOM 351 O GLU A 25 13.066 -7.591 -8.596 1.00 0.00 O ATOM 352 CB GLU A 25 13.626 -4.503 -7.315 1.00 0.00 C ATOM 353 CG GLU A 25 14.370 -3.199 -7.546 1.00 0.00 C ATOM 354 CD GLU A 25 15.855 -3.407 -7.775 1.00 0.00 C ATOM 355 OE1 GLU A 25 16.216 -4.002 -8.812 1.00 0.00 O ATOM 356 OE2 GLU A 25 16.654 -2.976 -6.919 1.00 0.00 O ATOM 0 H GLU A 25 12.019 -3.465 -8.872 1.00 0.00 H new ATOM 0 HA GLU A 25 14.054 -5.375 -9.232 1.00 0.00 H new ATOM 0 HB2 GLU A 25 12.750 -4.307 -6.696 1.00 0.00 H new ATOM 0 HB3 GLU A 25 14.267 -5.183 -6.754 1.00 0.00 H new ATOM 0 HG2 GLU A 25 13.941 -2.688 -8.408 1.00 0.00 H new ATOM 0 HG3 GLU A 25 14.227 -2.546 -6.685 1.00 0.00 H new ATOM 363 N PHE A 26 11.355 -6.474 -7.654 1.00 0.00 N ATOM 364 CA PHE A 26 10.626 -7.681 -7.285 1.00 0.00 C ATOM 365 C PHE A 26 10.669 -8.708 -8.413 1.00 0.00 C ATOM 366 O PHE A 26 11.068 -9.854 -8.207 1.00 0.00 O ATOM 367 CB PHE A 26 9.173 -7.341 -6.945 1.00 0.00 C ATOM 368 CG PHE A 26 8.228 -8.493 -7.135 1.00 0.00 C ATOM 369 CD1 PHE A 26 8.201 -9.541 -6.230 1.00 0.00 C ATOM 370 CD2 PHE A 26 7.366 -8.527 -8.219 1.00 0.00 C ATOM 371 CE1 PHE A 26 7.332 -10.602 -6.403 1.00 0.00 C ATOM 372 CE2 PHE A 26 6.495 -9.585 -8.398 1.00 0.00 C ATOM 373 CZ PHE A 26 6.477 -10.624 -7.488 1.00 0.00 C ATOM 0 H PHE A 26 10.892 -5.604 -7.389 1.00 0.00 H new ATOM 0 HA PHE A 26 11.106 -8.111 -6.406 1.00 0.00 H new ATOM 0 HB2 PHE A 26 9.120 -7.005 -5.910 1.00 0.00 H new ATOM 0 HB3 PHE A 26 8.848 -6.508 -7.568 1.00 0.00 H new ATOM 0 HD1 PHE A 26 8.866 -9.529 -5.379 1.00 0.00 H new ATOM 0 HD2 PHE A 26 7.375 -7.717 -8.933 1.00 0.00 H new ATOM 0 HE1 PHE A 26 7.321 -11.413 -5.690 1.00 0.00 H new ATOM 0 HE2 PHE A 26 5.829 -9.599 -9.248 1.00 0.00 H new ATOM 0 HZ PHE A 26 5.796 -11.451 -7.624 1.00 0.00 H new ATOM 383 N GLN A 27 10.255 -8.288 -9.604 1.00 0.00 N ATOM 384 CA GLN A 27 10.245 -9.172 -10.764 1.00 0.00 C ATOM 385 C GLN A 27 11.501 -10.036 -10.800 1.00 0.00 C ATOM 386 O GLN A 27 11.420 -11.261 -10.899 1.00 0.00 O ATOM 387 CB GLN A 27 10.136 -8.355 -12.053 1.00 0.00 C ATOM 388 CG GLN A 27 8.986 -7.360 -12.047 1.00 0.00 C ATOM 389 CD GLN A 27 8.827 -6.645 -13.375 1.00 0.00 C ATOM 390 OE1 GLN A 27 7.659 -6.051 -13.591 1.00 0.00 O flip ATOM 391 NE2 GLN A 27 9.743 -6.627 -14.197 1.00 0.00 N flip ATOM 0 H GLN A 27 9.922 -7.342 -9.791 1.00 0.00 H new ATOM 0 HA GLN A 27 9.378 -9.827 -10.683 1.00 0.00 H new ATOM 0 HB2 GLN A 27 11.070 -7.817 -12.212 1.00 0.00 H new ATOM 0 HB3 GLN A 27 10.012 -9.036 -12.895 1.00 0.00 H new ATOM 0 HG2 GLN A 27 8.060 -7.882 -11.806 1.00 0.00 H new ATOM 0 HG3 GLN A 27 9.151 -6.624 -11.260 1.00 0.00 H new ATOM 0 HE21 GLN A 27 10.624 -7.097 -13.989 1.00 0.00 H new ATOM 0 HE22 GLN A 27 9.621 -6.142 -15.086 1.00 0.00 H new ATOM 400 N ARG A 28 12.660 -9.391 -10.721 1.00 0.00 N ATOM 401 CA ARG A 28 13.933 -10.101 -10.747 1.00 0.00 C ATOM 402 C ARG A 28 14.331 -10.555 -9.345 1.00 0.00 C ATOM 403 O ARG A 28 15.297 -11.296 -9.172 1.00 0.00 O ATOM 404 CB ARG A 28 15.027 -9.209 -11.336 1.00 0.00 C ATOM 405 CG ARG A 28 15.225 -7.907 -10.578 1.00 0.00 C ATOM 406 CD ARG A 28 16.257 -7.019 -11.255 1.00 0.00 C ATOM 407 NE ARG A 28 15.661 -6.174 -12.286 1.00 0.00 N ATOM 408 CZ ARG A 28 16.312 -5.192 -12.899 1.00 0.00 C ATOM 409 NH1 ARG A 28 17.575 -4.934 -12.587 1.00 0.00 N ATOM 410 NH2 ARG A 28 15.701 -4.467 -13.827 1.00 0.00 N ATOM 0 H ARG A 28 12.744 -8.378 -10.638 1.00 0.00 H new ATOM 0 HA ARG A 28 13.816 -10.983 -11.376 1.00 0.00 H new ATOM 0 HB2 ARG A 28 15.967 -9.760 -11.346 1.00 0.00 H new ATOM 0 HB3 ARG A 28 14.780 -8.982 -12.373 1.00 0.00 H new ATOM 0 HG2 ARG A 28 14.275 -7.376 -10.510 1.00 0.00 H new ATOM 0 HG3 ARG A 28 15.543 -8.123 -9.558 1.00 0.00 H new ATOM 0 HD2 ARG A 28 16.741 -6.391 -10.507 1.00 0.00 H new ATOM 0 HD3 ARG A 28 17.034 -7.641 -11.700 1.00 0.00 H new ATOM 0 HE ARG A 28 14.691 -6.348 -12.550 1.00 0.00 H new ATOM 0 HH11 ARG A 28 18.048 -5.490 -11.875 1.00 0.00 H new ATOM 0 HH12 ARG A 28 18.073 -4.179 -13.059 1.00 0.00 H new ATOM 0 HH21 ARG A 28 14.730 -4.663 -14.070 1.00 0.00 H new ATOM 0 HH22 ARG A 28 16.202 -3.713 -14.297 1.00 0.00 H new ATOM 424 N GLY A 29 13.578 -10.102 -8.346 1.00 0.00 N ATOM 425 CA GLY A 29 13.869 -10.471 -6.973 1.00 0.00 C ATOM 426 C GLY A 29 15.018 -9.674 -6.389 1.00 0.00 C ATOM 427 O GLY A 29 15.963 -10.243 -5.845 1.00 0.00 O ATOM 0 H GLY A 29 12.773 -9.487 -8.463 1.00 0.00 H new ATOM 0 HA2 GLY A 29 12.979 -10.319 -6.363 1.00 0.00 H new ATOM 0 HA3 GLY A 29 14.108 -11.533 -6.929 1.00 0.00 H new ATOM 431 N ASN A 30 14.939 -8.352 -6.505 1.00 0.00 N ATOM 432 CA ASN A 30 15.982 -7.475 -5.986 1.00 0.00 C ATOM 433 C ASN A 30 15.431 -6.558 -4.899 1.00 0.00 C ATOM 434 O ASN A 30 16.187 -5.968 -4.126 1.00 0.00 O ATOM 435 CB ASN A 30 16.584 -6.639 -7.117 1.00 0.00 C ATOM 436 CG ASN A 30 17.776 -7.317 -7.766 1.00 0.00 C ATOM 437 OD1 ASN A 30 17.726 -7.700 -8.935 1.00 0.00 O ATOM 438 ND2 ASN A 30 18.855 -7.468 -7.007 1.00 0.00 N ATOM 0 H ASN A 30 14.163 -7.865 -6.954 1.00 0.00 H new ATOM 0 HA ASN A 30 16.762 -8.099 -5.549 1.00 0.00 H new ATOM 0 HB2 ASN A 30 15.821 -6.451 -7.872 1.00 0.00 H new ATOM 0 HB3 ASN A 30 16.890 -5.669 -6.725 1.00 0.00 H new ATOM 0 HD21 ASN A 30 19.688 -7.917 -7.388 1.00 0.00 H new ATOM 0 HD22 ASN A 30 18.851 -7.135 -6.043 1.00 0.00 H new ATOM 445 N CYS A 31 14.108 -6.443 -4.844 1.00 0.00 N ATOM 446 CA CYS A 31 13.454 -5.598 -3.852 1.00 0.00 C ATOM 447 C CYS A 31 13.676 -6.142 -2.443 1.00 0.00 C ATOM 448 O CYS A 31 13.786 -7.352 -2.244 1.00 0.00 O ATOM 449 CB CYS A 31 11.955 -5.501 -4.143 1.00 0.00 C ATOM 450 SG CYS A 31 11.033 -4.471 -2.957 1.00 0.00 S ATOM 0 H CYS A 31 13.468 -6.925 -5.475 1.00 0.00 H new ATOM 0 HA CYS A 31 13.894 -4.603 -3.912 1.00 0.00 H new ATOM 0 HB2 CYS A 31 11.816 -5.096 -5.145 1.00 0.00 H new ATOM 0 HB3 CYS A 31 11.530 -6.505 -4.143 1.00 0.00 H new ATOM 455 N ALA A 32 13.740 -5.240 -1.470 1.00 0.00 N ATOM 456 CA ALA A 32 13.945 -5.629 -0.080 1.00 0.00 C ATOM 457 C ALA A 32 12.756 -5.224 0.785 1.00 0.00 C ATOM 458 O ALA A 32 12.546 -5.776 1.865 1.00 0.00 O ATOM 459 CB ALA A 32 15.226 -5.008 0.458 1.00 0.00 C ATOM 0 H ALA A 32 13.653 -4.235 -1.618 1.00 0.00 H new ATOM 0 HA ALA A 32 14.036 -6.715 -0.042 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.367 -5.307 1.497 1.00 0.00 H new ATOM 0 HB2 ALA A 32 16.074 -5.350 -0.136 1.00 0.00 H new ATOM 0 HB3 ALA A 32 15.156 -3.922 0.399 1.00 0.00 H new ATOM 465 N ARG A 33 11.982 -4.258 0.303 1.00 0.00 N ATOM 466 CA ARG A 33 10.815 -3.778 1.034 1.00 0.00 C ATOM 467 C ARG A 33 9.666 -4.779 0.941 1.00 0.00 C ATOM 468 O ARG A 33 8.705 -4.710 1.706 1.00 0.00 O ATOM 469 CB ARG A 33 10.368 -2.421 0.489 1.00 0.00 C ATOM 470 CG ARG A 33 11.291 -1.276 0.874 1.00 0.00 C ATOM 471 CD ARG A 33 10.546 0.049 0.922 1.00 0.00 C ATOM 472 NE ARG A 33 11.409 1.175 0.577 1.00 0.00 N ATOM 473 CZ ARG A 33 11.126 2.437 0.877 1.00 0.00 C ATOM 474 NH1 ARG A 33 10.008 2.733 1.527 1.00 0.00 N ATOM 475 NH2 ARG A 33 11.962 3.407 0.529 1.00 0.00 N ATOM 0 H ARG A 33 12.141 -3.792 -0.590 1.00 0.00 H new ATOM 0 HA ARG A 33 11.094 -3.667 2.082 1.00 0.00 H new ATOM 0 HB2 ARG A 33 10.307 -2.478 -0.598 1.00 0.00 H new ATOM 0 HB3 ARG A 33 9.364 -2.205 0.854 1.00 0.00 H new ATOM 0 HG2 ARG A 33 11.738 -1.479 1.847 1.00 0.00 H new ATOM 0 HG3 ARG A 33 12.108 -1.209 0.156 1.00 0.00 H new ATOM 0 HD2 ARG A 33 9.702 0.015 0.233 1.00 0.00 H new ATOM 0 HD3 ARG A 33 10.137 0.199 1.921 1.00 0.00 H new ATOM 0 HE ARG A 33 12.277 0.981 0.078 1.00 0.00 H new ATOM 0 HH11 ARG A 33 9.363 1.990 1.798 1.00 0.00 H new ATOM 0 HH12 ARG A 33 9.793 3.703 1.756 1.00 0.00 H new ATOM 0 HH21 ARG A 33 12.823 3.183 0.030 1.00 0.00 H new ATOM 0 HH22 ARG A 33 11.743 4.376 0.760 1.00 0.00 H new ATOM 489 N GLY A 34 9.773 -5.709 -0.003 1.00 0.00 N ATOM 490 CA GLY A 34 8.737 -6.710 -0.180 1.00 0.00 C ATOM 491 C GLY A 34 7.358 -6.097 -0.321 1.00 0.00 C ATOM 492 O GLY A 34 7.207 -4.877 -0.277 1.00 0.00 O ATOM 0 H GLY A 34 10.559 -5.787 -0.649 1.00 0.00 H new ATOM 0 HA2 GLY A 34 8.959 -7.306 -1.065 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.744 -7.390 0.672 1.00 0.00 H new ATOM 496 N GLU A 35 6.350 -6.947 -0.492 1.00 0.00 N ATOM 497 CA GLU A 35 4.976 -6.481 -0.643 1.00 0.00 C ATOM 498 C GLU A 35 4.350 -6.184 0.716 1.00 0.00 C ATOM 499 O GLU A 35 3.127 -6.119 0.849 1.00 0.00 O ATOM 500 CB GLU A 35 4.139 -7.524 -1.386 1.00 0.00 C ATOM 501 CG GLU A 35 2.690 -7.111 -1.586 1.00 0.00 C ATOM 502 CD GLU A 35 2.029 -7.842 -2.738 1.00 0.00 C ATOM 503 OE1 GLU A 35 1.954 -9.087 -2.687 1.00 0.00 O ATOM 504 OE2 GLU A 35 1.586 -7.168 -3.691 1.00 0.00 O ATOM 0 H GLU A 35 6.459 -7.961 -0.529 1.00 0.00 H new ATOM 0 HA GLU A 35 4.994 -5.559 -1.224 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.591 -7.715 -2.359 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.168 -8.462 -0.832 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.131 -7.304 -0.670 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.644 -6.037 -1.768 1.00 0.00 H new ATOM 511 N THR A 36 5.197 -6.006 1.726 1.00 0.00 N ATOM 512 CA THR A 36 4.728 -5.719 3.075 1.00 0.00 C ATOM 513 C THR A 36 5.244 -4.369 3.561 1.00 0.00 C ATOM 514 O THR A 36 4.625 -3.725 4.408 1.00 0.00 O ATOM 515 CB THR A 36 5.169 -6.811 4.068 1.00 0.00 C ATOM 516 OG1 THR A 36 6.582 -7.022 3.968 1.00 0.00 O ATOM 517 CG2 THR A 36 4.436 -8.116 3.796 1.00 0.00 C ATOM 0 H THR A 36 6.212 -6.056 1.634 1.00 0.00 H new ATOM 0 HA THR A 36 3.639 -5.695 3.032 1.00 0.00 H new ATOM 0 HB THR A 36 4.922 -6.477 5.076 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.855 -7.716 4.604 1.00 0.00 H new ATOM 0 HG21 THR A 36 4.763 -8.873 4.509 1.00 0.00 H new ATOM 0 HG22 THR A 36 3.362 -7.959 3.901 1.00 0.00 H new ATOM 0 HG23 THR A 36 4.656 -8.453 2.783 1.00 0.00 H new ATOM 525 N ASP A 37 6.381 -3.946 3.019 1.00 0.00 N ATOM 526 CA ASP A 37 6.980 -2.671 3.396 1.00 0.00 C ATOM 527 C ASP A 37 7.205 -1.792 2.170 1.00 0.00 C ATOM 528 O ASP A 37 7.535 -0.612 2.290 1.00 0.00 O ATOM 529 CB ASP A 37 8.306 -2.901 4.124 1.00 0.00 C ATOM 530 CG ASP A 37 8.997 -1.603 4.492 1.00 0.00 C ATOM 531 OD1 ASP A 37 8.419 -0.826 5.280 1.00 0.00 O ATOM 532 OD2 ASP A 37 10.116 -1.364 3.991 1.00 0.00 O ATOM 0 H ASP A 37 6.906 -4.467 2.317 1.00 0.00 H new ATOM 0 HA ASP A 37 6.290 -2.158 4.067 1.00 0.00 H new ATOM 0 HB2 ASP A 37 8.125 -3.482 5.028 1.00 0.00 H new ATOM 0 HB3 ASP A 37 8.966 -3.494 3.491 1.00 0.00 H new ATOM 537 N CYS A 38 7.024 -2.376 0.990 1.00 0.00 N ATOM 538 CA CYS A 38 7.208 -1.647 -0.260 1.00 0.00 C ATOM 539 C CYS A 38 5.894 -1.029 -0.728 1.00 0.00 C ATOM 540 O CYS A 38 4.842 -1.665 -0.670 1.00 0.00 O ATOM 541 CB CYS A 38 7.760 -2.579 -1.341 1.00 0.00 C ATOM 542 SG CYS A 38 8.534 -1.713 -2.744 1.00 0.00 S ATOM 0 H CYS A 38 6.750 -3.352 0.873 1.00 0.00 H new ATOM 0 HA CYS A 38 7.923 -0.844 -0.082 1.00 0.00 H new ATOM 0 HB2 CYS A 38 8.494 -3.246 -0.890 1.00 0.00 H new ATOM 0 HB3 CYS A 38 6.949 -3.204 -1.716 1.00 0.00 H new ATOM 547 N ARG A 39 5.964 0.214 -1.192 1.00 0.00 N ATOM 548 CA ARG A 39 4.780 0.919 -1.669 1.00 0.00 C ATOM 549 C ARG A 39 4.324 0.366 -3.016 1.00 0.00 C ATOM 550 O ARG A 39 3.139 0.409 -3.348 1.00 0.00 O ATOM 551 CB ARG A 39 5.066 2.417 -1.791 1.00 0.00 C ATOM 552 CG ARG A 39 5.772 2.799 -3.081 1.00 0.00 C ATOM 553 CD ARG A 39 7.282 2.835 -2.901 1.00 0.00 C ATOM 554 NE ARG A 39 7.746 4.137 -2.431 1.00 0.00 N ATOM 555 CZ ARG A 39 8.993 4.376 -2.041 1.00 0.00 C ATOM 556 NH1 ARG A 39 9.896 3.406 -2.065 1.00 0.00 N ATOM 557 NH2 ARG A 39 9.340 5.588 -1.626 1.00 0.00 N ATOM 0 H ARG A 39 6.828 0.754 -1.248 1.00 0.00 H new ATOM 0 HA ARG A 39 3.981 0.767 -0.944 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.126 2.964 -1.726 1.00 0.00 H new ATOM 0 HB3 ARG A 39 5.677 2.732 -0.945 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.515 2.085 -3.863 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.421 3.776 -3.414 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.581 2.065 -2.189 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.766 2.598 -3.849 1.00 0.00 H new ATOM 0 HE ARG A 39 7.076 4.905 -2.400 1.00 0.00 H new ATOM 0 HH11 ARG A 39 9.634 2.473 -2.384 1.00 0.00 H new ATOM 0 HH12 ARG A 39 10.853 3.592 -1.765 1.00 0.00 H new ATOM 0 HH21 ARG A 39 8.649 6.338 -1.606 1.00 0.00 H new ATOM 0 HH22 ARG A 39 10.298 5.770 -1.327 1.00 0.00 H new ATOM 571 N PHE A 40 5.273 -0.152 -3.789 1.00 0.00 N ATOM 572 CA PHE A 40 4.970 -0.712 -5.101 1.00 0.00 C ATOM 573 C PHE A 40 4.163 -2.000 -4.969 1.00 0.00 C ATOM 574 O PHE A 40 4.457 -2.846 -4.125 1.00 0.00 O ATOM 575 CB PHE A 40 6.262 -0.984 -5.874 1.00 0.00 C ATOM 576 CG PHE A 40 7.054 0.257 -6.172 1.00 0.00 C ATOM 577 CD1 PHE A 40 6.471 1.325 -6.834 1.00 0.00 C ATOM 578 CD2 PHE A 40 8.383 0.355 -5.789 1.00 0.00 C ATOM 579 CE1 PHE A 40 7.197 2.469 -7.109 1.00 0.00 C ATOM 580 CE2 PHE A 40 9.114 1.496 -6.061 1.00 0.00 C ATOM 581 CZ PHE A 40 8.521 2.554 -6.723 1.00 0.00 C ATOM 0 H PHE A 40 6.258 -0.196 -3.529 1.00 0.00 H new ATOM 0 HA PHE A 40 4.373 0.016 -5.650 1.00 0.00 H new ATOM 0 HB2 PHE A 40 6.882 -1.672 -5.299 1.00 0.00 H new ATOM 0 HB3 PHE A 40 6.017 -1.483 -6.812 1.00 0.00 H new ATOM 0 HD1 PHE A 40 5.437 1.263 -7.139 1.00 0.00 H new ATOM 0 HD2 PHE A 40 8.852 -0.469 -5.272 1.00 0.00 H new ATOM 0 HE1 PHE A 40 6.730 3.295 -7.625 1.00 0.00 H new ATOM 0 HE2 PHE A 40 10.148 1.561 -5.756 1.00 0.00 H new ATOM 0 HZ PHE A 40 9.091 3.446 -6.938 1.00 0.00 H new ATOM 591 N ALA A 41 3.143 -2.141 -5.809 1.00 0.00 N ATOM 592 CA ALA A 41 2.294 -3.326 -5.788 1.00 0.00 C ATOM 593 C ALA A 41 2.936 -4.475 -6.558 1.00 0.00 C ATOM 594 O ALA A 41 2.798 -4.572 -7.778 1.00 0.00 O ATOM 595 CB ALA A 41 0.923 -3.003 -6.364 1.00 0.00 C ATOM 0 H ALA A 41 2.884 -1.449 -6.513 1.00 0.00 H new ATOM 0 HA ALA A 41 2.176 -3.640 -4.751 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.299 -3.897 -6.342 1.00 0.00 H new ATOM 0 HB2 ALA A 41 0.454 -2.219 -5.770 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.032 -2.662 -7.393 1.00 0.00 H new ATOM 601 N HIS A 42 3.638 -5.344 -5.838 1.00 0.00 N ATOM 602 CA HIS A 42 4.302 -6.488 -6.454 1.00 0.00 C ATOM 603 C HIS A 42 3.281 -7.450 -7.053 1.00 0.00 C ATOM 604 O HIS A 42 2.525 -8.113 -6.343 1.00 0.00 O ATOM 605 CB HIS A 42 5.166 -7.218 -5.426 1.00 0.00 C ATOM 606 CG HIS A 42 6.258 -6.369 -4.851 1.00 0.00 C ATOM 607 ND1 HIS A 42 7.221 -6.860 -3.995 1.00 0.00 N ATOM 608 CD2 HIS A 42 6.537 -5.055 -5.015 1.00 0.00 C ATOM 609 CE1 HIS A 42 8.045 -5.884 -3.656 1.00 0.00 C ATOM 610 NE2 HIS A 42 7.652 -4.778 -4.262 1.00 0.00 N ATOM 0 H HIS A 42 3.762 -5.278 -4.828 1.00 0.00 H new ATOM 0 HA HIS A 42 4.941 -6.118 -7.256 1.00 0.00 H new ATOM 0 HB2 HIS A 42 4.530 -7.575 -4.616 1.00 0.00 H new ATOM 0 HB3 HIS A 42 5.609 -8.097 -5.894 1.00 0.00 H new ATOM 0 HD1 HIS A 42 7.287 -7.826 -3.674 1.00 0.00 H new ATOM 0 HD2 HIS A 42 5.986 -4.354 -5.625 1.00 0.00 H new ATOM 0 HE1 HIS A 42 8.895 -5.975 -2.996 1.00 0.00 H new ATOM 618 N PRO A 43 3.256 -7.530 -8.392 1.00 0.00 N ATOM 619 CA PRO A 43 2.333 -8.408 -9.116 1.00 0.00 C ATOM 620 C PRO A 43 2.675 -9.883 -8.937 1.00 0.00 C ATOM 621 O PRO A 43 3.626 -10.229 -8.237 1.00 0.00 O ATOM 622 CB PRO A 43 2.517 -7.990 -10.577 1.00 0.00 C ATOM 623 CG PRO A 43 3.892 -7.419 -10.637 1.00 0.00 C ATOM 624 CD PRO A 43 4.129 -6.769 -9.302 1.00 0.00 C ATOM 0 HA PRO A 43 1.309 -8.308 -8.756 1.00 0.00 H new ATOM 0 HB2 PRO A 43 2.412 -8.842 -11.249 1.00 0.00 H new ATOM 0 HB3 PRO A 43 1.770 -7.255 -10.876 1.00 0.00 H new ATOM 0 HG2 PRO A 43 4.630 -8.198 -10.828 1.00 0.00 H new ATOM 0 HG3 PRO A 43 3.978 -6.693 -11.445 1.00 0.00 H new ATOM 0 HD2 PRO A 43 5.175 -6.834 -9.003 1.00 0.00 H new ATOM 0 HD3 PRO A 43 3.868 -5.711 -9.318 1.00 0.00 H new ATOM 632 N ALA A 44 1.894 -10.749 -9.575 1.00 0.00 N ATOM 633 CA ALA A 44 2.117 -12.187 -9.487 1.00 0.00 C ATOM 634 C ALA A 44 2.847 -12.705 -10.722 1.00 0.00 C ATOM 635 O ALA A 44 2.962 -13.914 -10.925 1.00 0.00 O ATOM 636 CB ALA A 44 0.793 -12.916 -9.309 1.00 0.00 C ATOM 0 H ALA A 44 1.102 -10.480 -10.158 1.00 0.00 H new ATOM 0 HA ALA A 44 2.745 -12.381 -8.618 1.00 0.00 H new ATOM 0 HB1 ALA A 44 0.974 -13.989 -9.245 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.310 -12.574 -8.394 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.146 -12.708 -10.161 1.00 0.00 H new ATOM 642 N ASP A 45 3.337 -11.784 -11.544 1.00 0.00 N ATOM 643 CA ASP A 45 4.056 -12.149 -12.759 1.00 0.00 C ATOM 644 C ASP A 45 3.193 -13.028 -13.658 1.00 0.00 C ATOM 645 O ASP A 45 3.662 -14.031 -14.197 1.00 0.00 O ATOM 646 CB ASP A 45 5.356 -12.875 -12.409 1.00 0.00 C ATOM 647 CG ASP A 45 6.480 -11.918 -12.064 1.00 0.00 C ATOM 648 OD1 ASP A 45 6.382 -11.241 -11.019 1.00 0.00 O ATOM 649 OD2 ASP A 45 7.457 -11.847 -12.838 1.00 0.00 O ATOM 0 H ASP A 45 3.250 -10.779 -11.391 1.00 0.00 H new ATOM 0 HA ASP A 45 4.295 -11.233 -13.299 1.00 0.00 H new ATOM 0 HB2 ASP A 45 5.180 -13.543 -11.566 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.659 -13.498 -13.251 1.00 0.00 H new ATOM 654 N SER A 46 1.930 -12.645 -13.815 1.00 0.00 N ATOM 655 CA SER A 46 1.000 -13.402 -14.645 1.00 0.00 C ATOM 656 C SER A 46 0.588 -12.595 -15.873 1.00 0.00 C ATOM 657 O SER A 46 -0.576 -12.603 -16.275 1.00 0.00 O ATOM 658 CB SER A 46 -0.240 -13.789 -13.837 1.00 0.00 C ATOM 659 OG SER A 46 -0.948 -12.639 -13.408 1.00 0.00 O ATOM 0 H SER A 46 1.527 -11.816 -13.379 1.00 0.00 H new ATOM 0 HA SER A 46 1.505 -14.308 -14.979 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.893 -14.416 -14.444 1.00 0.00 H new ATOM 0 HB3 SER A 46 0.056 -14.382 -12.971 1.00 0.00 H new ATOM 0 HG SER A 46 -1.534 -12.328 -14.129 1.00 0.00 H new ATOM 665 N THR A 47 1.553 -11.898 -16.466 1.00 0.00 N ATOM 666 CA THR A 47 1.293 -11.085 -17.648 1.00 0.00 C ATOM 667 C THR A 47 0.316 -9.958 -17.335 1.00 0.00 C ATOM 668 O THR A 47 -0.625 -9.712 -18.089 1.00 0.00 O ATOM 669 CB THR A 47 0.726 -11.935 -18.801 1.00 0.00 C ATOM 670 OG1 THR A 47 1.540 -13.097 -18.999 1.00 0.00 O ATOM 671 CG2 THR A 47 0.664 -11.127 -20.088 1.00 0.00 C ATOM 0 H THR A 47 2.522 -11.880 -16.147 1.00 0.00 H new ATOM 0 HA THR A 47 2.248 -10.660 -17.956 1.00 0.00 H new ATOM 0 HB THR A 47 -0.285 -12.242 -18.534 1.00 0.00 H new ATOM 0 HG1 THR A 47 1.172 -13.633 -19.732 1.00 0.00 H new ATOM 0 HG21 THR A 47 0.261 -11.748 -20.888 1.00 0.00 H new ATOM 0 HG22 THR A 47 0.021 -10.259 -19.942 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.666 -10.794 -20.357 1.00 0.00 H new ATOM 679 N MET A 48 0.545 -9.275 -16.218 1.00 0.00 N ATOM 680 CA MET A 48 -0.315 -8.171 -15.807 1.00 0.00 C ATOM 681 C MET A 48 0.502 -6.906 -15.564 1.00 0.00 C ATOM 682 O MET A 48 0.286 -6.195 -14.583 1.00 0.00 O ATOM 683 CB MET A 48 -1.088 -8.544 -14.540 1.00 0.00 C ATOM 684 CG MET A 48 -2.419 -9.223 -14.818 1.00 0.00 C ATOM 685 SD MET A 48 -2.903 -10.365 -13.509 1.00 0.00 S ATOM 686 CE MET A 48 -3.964 -9.315 -12.519 1.00 0.00 C ATOM 0 H MET A 48 1.319 -9.467 -15.581 1.00 0.00 H new ATOM 0 HA MET A 48 -1.023 -7.975 -16.612 1.00 0.00 H new ATOM 0 HB2 MET A 48 -0.472 -9.205 -13.930 1.00 0.00 H new ATOM 0 HB3 MET A 48 -1.265 -7.642 -13.953 1.00 0.00 H new ATOM 0 HG2 MET A 48 -3.192 -8.464 -14.937 1.00 0.00 H new ATOM 0 HG3 MET A 48 -2.356 -9.764 -15.762 1.00 0.00 H new ATOM 0 HE1 MET A 48 -4.343 -9.880 -11.668 1.00 0.00 H new ATOM 0 HE2 MET A 48 -3.395 -8.457 -12.161 1.00 0.00 H new ATOM 0 HE3 MET A 48 -4.800 -8.968 -13.125 1.00 0.00 H new ATOM 696 N ILE A 49 1.441 -6.633 -16.464 1.00 0.00 N ATOM 697 CA ILE A 49 2.289 -5.453 -16.347 1.00 0.00 C ATOM 698 C ILE A 49 2.412 -4.730 -17.684 1.00 0.00 C ATOM 699 O ILE A 49 2.413 -5.358 -18.743 1.00 0.00 O ATOM 700 CB ILE A 49 3.698 -5.820 -15.843 1.00 0.00 C ATOM 701 CG1 ILE A 49 3.612 -6.503 -14.477 1.00 0.00 C ATOM 702 CG2 ILE A 49 4.573 -4.578 -15.767 1.00 0.00 C ATOM 703 CD1 ILE A 49 4.818 -7.356 -14.152 1.00 0.00 C ATOM 0 H ILE A 49 1.634 -7.212 -17.281 1.00 0.00 H new ATOM 0 HA ILE A 49 1.813 -4.793 -15.622 1.00 0.00 H new ATOM 0 HB ILE A 49 4.151 -6.517 -16.548 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.497 -5.742 -13.706 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.718 -7.125 -14.446 1.00 0.00 H new ATOM 0 HG21 ILE A 49 5.565 -4.853 -15.409 1.00 0.00 H new ATOM 0 HG22 ILE A 49 4.656 -4.130 -16.757 1.00 0.00 H new ATOM 0 HG23 ILE A 49 4.126 -3.860 -15.080 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.689 -7.809 -13.169 1.00 0.00 H new ATOM 0 HD12 ILE A 49 4.922 -8.140 -14.902 1.00 0.00 H new ATOM 0 HD13 ILE A 49 5.713 -6.734 -14.150 1.00 0.00 H new ATOM 715 N ASP A 50 2.518 -3.407 -17.628 1.00 0.00 N ATOM 716 CA ASP A 50 2.644 -2.597 -18.834 1.00 0.00 C ATOM 717 C ASP A 50 4.057 -2.035 -18.965 1.00 0.00 C ATOM 718 O ASP A 50 4.523 -1.291 -18.102 1.00 0.00 O ATOM 719 CB ASP A 50 1.627 -1.455 -18.817 1.00 0.00 C ATOM 720 CG ASP A 50 0.310 -1.844 -19.458 1.00 0.00 C ATOM 721 OD1 ASP A 50 0.333 -2.369 -20.591 1.00 0.00 O ATOM 722 OD2 ASP A 50 -0.746 -1.624 -18.827 1.00 0.00 O ATOM 0 H ASP A 50 2.519 -2.872 -16.759 1.00 0.00 H new ATOM 0 HA ASP A 50 2.445 -3.236 -19.694 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.449 -1.146 -17.787 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.043 -0.594 -19.341 1.00 0.00 H new ATOM 727 N THR A 51 4.734 -2.397 -20.051 1.00 0.00 N ATOM 728 CA THR A 51 6.093 -1.931 -20.294 1.00 0.00 C ATOM 729 C THR A 51 6.104 -0.470 -20.727 1.00 0.00 C ATOM 730 O THR A 51 7.154 0.082 -21.057 1.00 0.00 O ATOM 731 CB THR A 51 6.793 -2.780 -21.372 1.00 0.00 C ATOM 732 OG1 THR A 51 6.130 -2.617 -22.631 1.00 0.00 O ATOM 733 CG2 THR A 51 6.800 -4.250 -20.984 1.00 0.00 C ATOM 0 H THR A 51 4.363 -3.011 -20.776 1.00 0.00 H new ATOM 0 HA THR A 51 6.635 -2.032 -19.354 1.00 0.00 H new ATOM 0 HB THR A 51 7.825 -2.439 -21.458 1.00 0.00 H new ATOM 0 HG1 THR A 51 6.582 -3.159 -23.311 1.00 0.00 H new ATOM 0 HG21 THR A 51 7.300 -4.829 -21.761 1.00 0.00 H new ATOM 0 HG22 THR A 51 7.331 -4.375 -20.040 1.00 0.00 H new ATOM 0 HG23 THR A 51 5.774 -4.602 -20.872 1.00 0.00 H new ATOM 741 N SER A 52 4.930 0.153 -20.722 1.00 0.00 N ATOM 742 CA SER A 52 4.804 1.551 -21.118 1.00 0.00 C ATOM 743 C SER A 52 4.930 2.471 -19.908 1.00 0.00 C ATOM 744 O SER A 52 5.659 3.463 -19.941 1.00 0.00 O ATOM 745 CB SER A 52 3.463 1.787 -21.815 1.00 0.00 C ATOM 746 OG SER A 52 3.381 1.053 -23.025 1.00 0.00 O ATOM 0 H SER A 52 4.052 -0.288 -20.448 1.00 0.00 H new ATOM 0 HA SER A 52 5.612 1.780 -21.813 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.649 1.494 -21.152 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.339 2.850 -22.022 1.00 0.00 H new ATOM 0 HG SER A 52 2.514 1.219 -23.450 1.00 0.00 H new ATOM 752 N ASP A 53 4.214 2.135 -18.840 1.00 0.00 N ATOM 753 CA ASP A 53 4.245 2.930 -17.618 1.00 0.00 C ATOM 754 C ASP A 53 4.622 2.067 -16.418 1.00 0.00 C ATOM 755 O ASP A 53 4.949 2.581 -15.349 1.00 0.00 O ATOM 756 CB ASP A 53 2.887 3.591 -17.379 1.00 0.00 C ATOM 757 CG ASP A 53 2.723 4.877 -18.166 1.00 0.00 C ATOM 758 OD1 ASP A 53 3.173 5.933 -17.676 1.00 0.00 O ATOM 759 OD2 ASP A 53 2.143 4.827 -19.271 1.00 0.00 O ATOM 0 H ASP A 53 3.605 1.318 -18.796 1.00 0.00 H new ATOM 0 HA ASP A 53 5.002 3.705 -17.738 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.094 2.896 -17.655 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.771 3.802 -16.316 1.00 0.00 H new ATOM 764 N ASN A 54 4.573 0.752 -16.603 1.00 0.00 N ATOM 765 CA ASN A 54 4.908 -0.184 -15.535 1.00 0.00 C ATOM 766 C ASN A 54 3.980 0.003 -14.338 1.00 0.00 C ATOM 767 O ASN A 54 4.434 0.151 -13.203 1.00 0.00 O ATOM 768 CB ASN A 54 6.363 0.005 -15.101 1.00 0.00 C ATOM 769 CG ASN A 54 6.798 -1.022 -14.074 1.00 0.00 C ATOM 770 OD1 ASN A 54 7.371 -2.124 -14.546 1.00 0.00 O flip ATOM 771 ND2 ASN A 54 6.621 -0.828 -12.872 1.00 0.00 N flip ATOM 0 H ASN A 54 4.305 0.310 -17.482 1.00 0.00 H new ATOM 0 HA ASN A 54 4.779 -1.196 -15.918 1.00 0.00 H new ATOM 0 HB2 ASN A 54 7.011 -0.062 -15.975 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.489 1.005 -14.686 1.00 0.00 H new ATOM 0 HD21 ASN A 54 6.177 0.033 -12.554 1.00 0.00 H new ATOM 0 HD22 ASN A 54 6.919 -1.529 -12.193 1.00 0.00 H new ATOM 778 N THR A 55 2.677 -0.006 -14.600 1.00 0.00 N ATOM 779 CA THR A 55 1.685 0.162 -13.545 1.00 0.00 C ATOM 780 C THR A 55 0.561 -0.859 -13.680 1.00 0.00 C ATOM 781 O THR A 55 0.234 -1.296 -14.784 1.00 0.00 O ATOM 782 CB THR A 55 1.081 1.579 -13.563 1.00 0.00 C ATOM 783 OG1 THR A 55 0.512 1.853 -14.849 1.00 0.00 O ATOM 784 CG2 THR A 55 2.139 2.623 -13.238 1.00 0.00 C ATOM 0 H THR A 55 2.284 -0.128 -15.533 1.00 0.00 H new ATOM 0 HA THR A 55 2.201 0.007 -12.598 1.00 0.00 H new ATOM 0 HB THR A 55 0.301 1.627 -12.803 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.129 2.755 -14.852 1.00 0.00 H new ATOM 0 HG21 THR A 55 1.689 3.615 -13.257 1.00 0.00 H new ATOM 0 HG22 THR A 55 2.549 2.429 -12.247 1.00 0.00 H new ATOM 0 HG23 THR A 55 2.938 2.573 -13.977 1.00 0.00 H new ATOM 792 N VAL A 56 -0.029 -1.235 -12.550 1.00 0.00 N ATOM 793 CA VAL A 56 -1.119 -2.204 -12.542 1.00 0.00 C ATOM 794 C VAL A 56 -2.436 -1.547 -12.144 1.00 0.00 C ATOM 795 O VAL A 56 -2.458 -0.601 -11.355 1.00 0.00 O ATOM 796 CB VAL A 56 -0.827 -3.369 -11.578 1.00 0.00 C ATOM 797 CG1 VAL A 56 0.329 -4.212 -12.094 1.00 0.00 C ATOM 798 CG2 VAL A 56 -0.532 -2.843 -10.181 1.00 0.00 C ATOM 0 H VAL A 56 0.229 -0.883 -11.628 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.203 -2.594 -13.556 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.712 -4.003 -11.523 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.521 -5.030 -11.400 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.074 -4.619 -13.073 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.221 -3.592 -12.180 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.328 -3.680 -9.513 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.337 -2.186 -10.216 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.393 -2.286 -9.812 1.00 0.00 H new ATOM 808 N THR A 57 -3.535 -2.055 -12.694 1.00 0.00 N ATOM 809 CA THR A 57 -4.856 -1.517 -12.397 1.00 0.00 C ATOM 810 C THR A 57 -5.258 -1.811 -10.956 1.00 0.00 C ATOM 811 O THR A 57 -4.762 -2.756 -10.343 1.00 0.00 O ATOM 812 CB THR A 57 -5.924 -2.097 -13.344 1.00 0.00 C ATOM 813 OG1 THR A 57 -5.452 -2.061 -14.695 1.00 0.00 O ATOM 814 CG2 THR A 57 -7.225 -1.316 -13.235 1.00 0.00 C ATOM 0 H THR A 57 -3.536 -2.838 -13.347 1.00 0.00 H new ATOM 0 HA THR A 57 -4.798 -0.438 -12.543 1.00 0.00 H new ATOM 0 HB THR A 57 -6.113 -3.130 -13.053 1.00 0.00 H new ATOM 0 HG1 THR A 57 -6.136 -2.433 -15.290 1.00 0.00 H new ATOM 0 HG21 THR A 57 -7.964 -1.744 -13.913 1.00 0.00 H new ATOM 0 HG22 THR A 57 -7.597 -1.370 -12.212 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.048 -0.274 -13.502 1.00 0.00 H new ATOM 822 N VAL A 58 -6.160 -0.994 -10.420 1.00 0.00 N ATOM 823 CA VAL A 58 -6.630 -1.168 -9.051 1.00 0.00 C ATOM 824 C VAL A 58 -8.152 -1.241 -8.997 1.00 0.00 C ATOM 825 O VAL A 58 -8.845 -0.373 -9.528 1.00 0.00 O ATOM 826 CB VAL A 58 -6.150 -0.020 -8.143 1.00 0.00 C ATOM 827 CG1 VAL A 58 -6.747 -0.155 -6.750 1.00 0.00 C ATOM 828 CG2 VAL A 58 -4.631 0.010 -8.080 1.00 0.00 C ATOM 0 H VAL A 58 -6.579 -0.206 -10.913 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.211 -2.107 -8.690 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.492 0.923 -8.569 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.397 0.665 -6.123 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -7.835 -0.122 -6.816 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -6.438 -1.104 -6.312 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.310 0.827 -7.434 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.265 -0.935 -7.679 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.228 0.159 -9.082 1.00 0.00 H new ATOM 838 N CYS A 59 -8.666 -2.283 -8.353 1.00 0.00 N ATOM 839 CA CYS A 59 -10.106 -2.472 -8.229 1.00 0.00 C ATOM 840 C CYS A 59 -10.724 -1.384 -7.354 1.00 0.00 C ATOM 841 O CYS A 59 -10.434 -1.294 -6.161 1.00 0.00 O ATOM 842 CB CYS A 59 -10.413 -3.850 -7.640 1.00 0.00 C ATOM 843 SG CYS A 59 -12.081 -4.471 -8.029 1.00 0.00 S ATOM 0 H CYS A 59 -8.106 -3.010 -7.908 1.00 0.00 H new ATOM 0 HA CYS A 59 -10.543 -2.405 -9.226 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -9.676 -4.563 -8.009 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -10.297 -3.804 -6.557 1.00 0.00 H new ATOM 848 N MET A 60 -11.576 -0.562 -7.956 1.00 0.00 N ATOM 849 CA MET A 60 -12.236 0.519 -7.232 1.00 0.00 C ATOM 850 C MET A 60 -13.122 -0.034 -6.120 1.00 0.00 C ATOM 851 O MET A 60 -13.006 0.370 -4.963 1.00 0.00 O ATOM 852 CB MET A 60 -13.072 1.369 -8.191 1.00 0.00 C ATOM 853 CG MET A 60 -13.341 2.775 -7.680 1.00 0.00 C ATOM 854 SD MET A 60 -11.940 3.883 -7.926 1.00 0.00 S ATOM 855 CE MET A 60 -11.230 3.902 -6.282 1.00 0.00 C ATOM 0 H MET A 60 -11.826 -0.623 -8.943 1.00 0.00 H new ATOM 0 HA MET A 60 -11.465 1.145 -6.782 1.00 0.00 H new ATOM 0 HB2 MET A 60 -12.558 1.432 -9.150 1.00 0.00 H new ATOM 0 HB3 MET A 60 -14.023 0.869 -8.372 1.00 0.00 H new ATOM 0 HG2 MET A 60 -14.215 3.182 -8.189 1.00 0.00 H new ATOM 0 HG3 MET A 60 -13.583 2.731 -6.618 1.00 0.00 H new ATOM 0 HE1 MET A 60 -11.359 4.890 -5.841 1.00 0.00 H new ATOM 0 HE2 MET A 60 -11.731 3.159 -5.661 1.00 0.00 H new ATOM 0 HE3 MET A 60 -10.167 3.668 -6.342 1.00 0.00 H new ATOM 865 N ASP A 61 -14.006 -0.958 -6.478 1.00 0.00 N ATOM 866 CA ASP A 61 -14.911 -1.567 -5.510 1.00 0.00 C ATOM 867 C ASP A 61 -14.140 -2.109 -4.311 1.00 0.00 C ATOM 868 O ASP A 61 -14.334 -1.660 -3.181 1.00 0.00 O ATOM 869 CB ASP A 61 -15.714 -2.691 -6.167 1.00 0.00 C ATOM 870 CG ASP A 61 -14.885 -3.498 -7.146 1.00 0.00 C ATOM 871 OD1 ASP A 61 -14.418 -2.917 -8.149 1.00 0.00 O ATOM 872 OD2 ASP A 61 -14.702 -4.710 -6.910 1.00 0.00 O ATOM 0 H ASP A 61 -14.116 -1.302 -7.432 1.00 0.00 H new ATOM 0 HA ASP A 61 -15.599 -0.798 -5.159 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -16.106 -3.353 -5.395 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -16.572 -2.265 -6.687 1.00 0.00 H new ATOM 877 N TYR A 62 -13.265 -3.076 -4.565 1.00 0.00 N ATOM 878 CA TYR A 62 -12.467 -3.681 -3.506 1.00 0.00 C ATOM 879 C TYR A 62 -12.077 -2.645 -2.456 1.00 0.00 C ATOM 880 O TYR A 62 -12.244 -2.867 -1.257 1.00 0.00 O ATOM 881 CB TYR A 62 -11.210 -4.327 -4.092 1.00 0.00 C ATOM 882 CG TYR A 62 -10.324 -4.979 -3.054 1.00 0.00 C ATOM 883 CD1 TYR A 62 -10.862 -5.797 -2.068 1.00 0.00 C ATOM 884 CD2 TYR A 62 -8.949 -4.778 -3.061 1.00 0.00 C ATOM 885 CE1 TYR A 62 -10.056 -6.394 -1.118 1.00 0.00 C ATOM 886 CE2 TYR A 62 -8.136 -5.371 -2.115 1.00 0.00 C ATOM 887 CZ TYR A 62 -8.694 -6.178 -1.146 1.00 0.00 C ATOM 888 OH TYR A 62 -7.888 -6.772 -0.201 1.00 0.00 O ATOM 0 H TYR A 62 -13.091 -3.457 -5.495 1.00 0.00 H new ATOM 0 HA TYR A 62 -13.072 -4.449 -3.024 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -11.505 -5.076 -4.827 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -10.635 -3.568 -4.623 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -11.928 -5.969 -2.044 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -8.509 -4.147 -3.819 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -10.490 -7.026 -0.358 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -7.069 -5.204 -2.134 1.00 0.00 H new ATOM 0 HH TYR A 62 -6.955 -6.519 -0.361 1.00 0.00 H new ATOM 898 N ILE A 63 -11.558 -1.512 -2.917 1.00 0.00 N ATOM 899 CA ILE A 63 -11.147 -0.440 -2.020 1.00 0.00 C ATOM 900 C ILE A 63 -12.258 -0.091 -1.035 1.00 0.00 C ATOM 901 O ILE A 63 -12.011 0.094 0.157 1.00 0.00 O ATOM 902 CB ILE A 63 -10.751 0.827 -2.800 1.00 0.00 C ATOM 903 CG1 ILE A 63 -9.496 0.566 -3.636 1.00 0.00 C ATOM 904 CG2 ILE A 63 -10.525 1.989 -1.845 1.00 0.00 C ATOM 905 CD1 ILE A 63 -8.329 0.045 -2.827 1.00 0.00 C ATOM 0 H ILE A 63 -11.412 -1.313 -3.907 1.00 0.00 H new ATOM 0 HA ILE A 63 -10.279 -0.804 -1.471 1.00 0.00 H new ATOM 0 HB ILE A 63 -11.566 1.090 -3.474 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -9.734 -0.153 -4.420 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -9.200 1.491 -4.131 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -10.246 2.877 -2.412 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -11.442 2.187 -1.289 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -9.725 1.737 -1.148 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -7.474 -0.117 -3.484 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -8.064 0.773 -2.060 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -8.606 -0.897 -2.353 1.00 0.00 H new ATOM 917 N LYS A 64 -13.483 -0.002 -1.541 1.00 0.00 N ATOM 918 CA LYS A 64 -14.634 0.322 -0.707 1.00 0.00 C ATOM 919 C LYS A 64 -14.827 -0.726 0.385 1.00 0.00 C ATOM 920 O LYS A 64 -15.378 -0.436 1.446 1.00 0.00 O ATOM 921 CB LYS A 64 -15.899 0.420 -1.563 1.00 0.00 C ATOM 922 CG LYS A 64 -15.837 1.515 -2.615 1.00 0.00 C ATOM 923 CD LYS A 64 -15.837 2.896 -1.982 1.00 0.00 C ATOM 924 CE LYS A 64 -17.220 3.278 -1.476 1.00 0.00 C ATOM 925 NZ LYS A 64 -18.090 3.787 -2.573 1.00 0.00 N ATOM 0 H LYS A 64 -13.704 -0.150 -2.526 1.00 0.00 H new ATOM 0 HA LYS A 64 -14.448 1.286 -0.233 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -16.069 -0.537 -2.056 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -16.755 0.600 -0.913 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -14.938 1.390 -3.219 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -16.689 1.422 -3.289 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -15.127 2.918 -1.155 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -15.499 3.632 -2.712 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -17.690 2.410 -1.013 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -17.126 4.041 -0.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -19.023 4.037 -2.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -17.654 4.630 -2.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -18.200 3.050 -3.299 1.00 0.00 H new ATOM 939 N GLY A 65 -14.369 -1.945 0.117 1.00 0.00 N ATOM 940 CA GLY A 65 -14.500 -3.017 1.087 1.00 0.00 C ATOM 941 C GLY A 65 -15.272 -4.202 0.541 1.00 0.00 C ATOM 942 O GLY A 65 -15.154 -5.316 1.051 1.00 0.00 O ATOM 0 H GLY A 65 -13.910 -2.209 -0.754 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -13.508 -3.345 1.397 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -15.003 -2.638 1.977 1.00 0.00 H new ATOM 946 N ARG A 66 -16.065 -3.961 -0.498 1.00 0.00 N ATOM 947 CA ARG A 66 -16.862 -5.017 -1.111 1.00 0.00 C ATOM 948 C ARG A 66 -16.614 -5.081 -2.615 1.00 0.00 C ATOM 949 O ARG A 66 -17.061 -4.213 -3.366 1.00 0.00 O ATOM 950 CB ARG A 66 -18.349 -4.787 -0.838 1.00 0.00 C ATOM 951 CG ARG A 66 -19.237 -5.930 -1.303 1.00 0.00 C ATOM 952 CD ARG A 66 -19.022 -7.180 -0.464 1.00 0.00 C ATOM 953 NE ARG A 66 -19.472 -6.999 0.914 1.00 0.00 N ATOM 954 CZ ARG A 66 -20.729 -7.177 1.306 1.00 0.00 C ATOM 955 NH1 ARG A 66 -21.655 -7.539 0.429 1.00 0.00 N ATOM 956 NH2 ARG A 66 -21.061 -6.993 2.577 1.00 0.00 N ATOM 0 H ARG A 66 -16.173 -3.045 -0.933 1.00 0.00 H new ATOM 0 HA ARG A 66 -16.562 -5.967 -0.669 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -18.494 -4.637 0.232 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -18.663 -3.869 -1.334 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -20.282 -5.627 -1.245 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -19.027 -6.152 -2.349 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -19.559 -8.015 -0.914 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -17.964 -7.442 -0.468 1.00 0.00 H new ATOM 0 HE ARG A 66 -18.784 -6.721 1.613 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -21.403 -7.682 -0.549 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -22.619 -7.675 0.732 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -20.351 -6.715 3.254 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -22.026 -7.130 2.877 1.00 0.00 H new ATOM 970 N CYS A 67 -15.899 -6.114 -3.049 1.00 0.00 N ATOM 971 CA CYS A 67 -15.590 -6.292 -4.463 1.00 0.00 C ATOM 972 C CYS A 67 -16.422 -7.421 -5.063 1.00 0.00 C ATOM 973 O CYS A 67 -16.099 -8.597 -4.901 1.00 0.00 O ATOM 974 CB CYS A 67 -14.101 -6.587 -4.648 1.00 0.00 C ATOM 975 SG CYS A 67 -13.698 -7.427 -6.213 1.00 0.00 S ATOM 0 H CYS A 67 -15.522 -6.841 -2.441 1.00 0.00 H new ATOM 0 HA CYS A 67 -15.837 -5.366 -4.983 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -13.547 -5.650 -4.598 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -13.758 -7.205 -3.818 1.00 0.00 H new ATOM 980 N MET A 68 -17.495 -7.054 -5.757 1.00 0.00 N ATOM 981 CA MET A 68 -18.372 -8.036 -6.383 1.00 0.00 C ATOM 982 C MET A 68 -18.623 -7.686 -7.847 1.00 0.00 C ATOM 983 O MET A 68 -19.656 -8.045 -8.412 1.00 0.00 O ATOM 984 CB MET A 68 -19.702 -8.116 -5.631 1.00 0.00 C ATOM 985 CG MET A 68 -20.511 -9.361 -5.958 1.00 0.00 C ATOM 986 SD MET A 68 -19.993 -10.798 -5.001 1.00 0.00 S ATOM 987 CE MET A 68 -21.268 -11.976 -5.441 1.00 0.00 C ATOM 0 H MET A 68 -17.777 -6.084 -5.900 1.00 0.00 H new ATOM 0 HA MET A 68 -17.879 -9.007 -6.339 1.00 0.00 H new ATOM 0 HB2 MET A 68 -19.506 -8.091 -4.559 1.00 0.00 H new ATOM 0 HB3 MET A 68 -20.297 -7.234 -5.867 1.00 0.00 H new ATOM 0 HG2 MET A 68 -21.566 -9.164 -5.768 1.00 0.00 H new ATOM 0 HG3 MET A 68 -20.415 -9.583 -7.021 1.00 0.00 H new ATOM 0 HE1 MET A 68 -21.085 -12.919 -4.926 1.00 0.00 H new ATOM 0 HE2 MET A 68 -22.242 -11.585 -5.147 1.00 0.00 H new ATOM 0 HE3 MET A 68 -21.254 -12.142 -6.518 1.00 0.00 H new ATOM 997 N ARG A 69 -17.672 -6.985 -8.454 1.00 0.00 N ATOM 998 CA ARG A 69 -17.791 -6.586 -9.851 1.00 0.00 C ATOM 999 C ARG A 69 -17.952 -7.806 -10.753 1.00 0.00 C ATOM 1000 O ARG A 69 -17.846 -8.944 -10.298 1.00 0.00 O ATOM 1001 CB ARG A 69 -16.563 -5.780 -10.280 1.00 0.00 C ATOM 1002 CG ARG A 69 -16.715 -4.282 -10.073 1.00 0.00 C ATOM 1003 CD ARG A 69 -15.550 -3.515 -10.679 1.00 0.00 C ATOM 1004 NE ARG A 69 -15.677 -2.075 -10.474 1.00 0.00 N ATOM 1005 CZ ARG A 69 -16.454 -1.293 -11.216 1.00 0.00 C ATOM 1006 NH1 ARG A 69 -17.170 -1.811 -12.205 1.00 0.00 N ATOM 1007 NH2 ARG A 69 -16.517 0.009 -10.968 1.00 0.00 N ATOM 0 H ARG A 69 -16.810 -6.681 -8.000 1.00 0.00 H new ATOM 0 HA ARG A 69 -18.679 -5.962 -9.950 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -15.696 -6.129 -9.720 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -16.361 -5.974 -11.333 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -17.648 -3.944 -10.524 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -16.779 -4.066 -9.007 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -14.617 -3.863 -10.236 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -15.494 -3.726 -11.747 1.00 0.00 H new ATOM 0 HE ARG A 69 -15.140 -1.646 -9.720 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -17.125 -2.812 -12.397 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -17.766 -1.209 -12.773 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -15.969 0.410 -10.207 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -17.114 0.608 -11.538 1.00 0.00 H new ATOM 1021 N GLU A 70 -18.211 -7.559 -12.034 1.00 0.00 N ATOM 1022 CA GLU A 70 -18.389 -8.638 -12.998 1.00 0.00 C ATOM 1023 C GLU A 70 -17.040 -9.192 -13.449 1.00 0.00 C ATOM 1024 O GLU A 70 -16.273 -8.513 -14.132 1.00 0.00 O ATOM 1025 CB GLU A 70 -19.180 -8.143 -14.211 1.00 0.00 C ATOM 1026 CG GLU A 70 -19.490 -9.234 -15.222 1.00 0.00 C ATOM 1027 CD GLU A 70 -20.241 -8.712 -16.431 1.00 0.00 C ATOM 1028 OE1 GLU A 70 -20.159 -7.495 -16.702 1.00 0.00 O ATOM 1029 OE2 GLU A 70 -20.911 -9.520 -17.107 1.00 0.00 O ATOM 0 H GLU A 70 -18.302 -6.622 -12.427 1.00 0.00 H new ATOM 0 HA GLU A 70 -18.947 -9.438 -12.511 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -20.115 -7.701 -13.868 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -18.615 -7.352 -14.704 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -18.559 -9.696 -15.549 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -20.081 -10.013 -14.740 1.00 0.00 H new ATOM 1036 N LYS A 71 -16.757 -10.431 -13.062 1.00 0.00 N ATOM 1037 CA LYS A 71 -15.503 -11.080 -13.425 1.00 0.00 C ATOM 1038 C LYS A 71 -14.313 -10.184 -13.097 1.00 0.00 C ATOM 1039 O LYS A 71 -13.415 -10.001 -13.920 1.00 0.00 O ATOM 1040 CB LYS A 71 -15.498 -11.428 -14.915 1.00 0.00 C ATOM 1041 CG LYS A 71 -16.417 -12.582 -15.273 1.00 0.00 C ATOM 1042 CD LYS A 71 -15.830 -13.917 -14.846 1.00 0.00 C ATOM 1043 CE LYS A 71 -16.718 -15.077 -15.268 1.00 0.00 C ATOM 1044 NZ LYS A 71 -17.917 -15.205 -14.394 1.00 0.00 N ATOM 0 H LYS A 71 -17.380 -11.007 -12.496 1.00 0.00 H new ATOM 0 HA LYS A 71 -15.416 -11.998 -12.844 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -15.794 -10.548 -15.486 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -14.481 -11.677 -15.218 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -17.385 -12.439 -14.793 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -16.592 -12.588 -16.349 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -14.840 -14.037 -15.285 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -15.703 -13.930 -13.764 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -17.035 -14.934 -16.301 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -16.145 -16.003 -15.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -18.496 -16.007 -14.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -17.615 -15.367 -13.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -18.478 -14.331 -14.444 1.00 0.00 H new ATOM 1058 N CYS A 72 -14.311 -9.628 -11.890 1.00 0.00 N ATOM 1059 CA CYS A 72 -13.230 -8.752 -11.452 1.00 0.00 C ATOM 1060 C CYS A 72 -11.886 -9.236 -11.989 1.00 0.00 C ATOM 1061 O CYS A 72 -11.463 -10.359 -11.714 1.00 0.00 O ATOM 1062 CB CYS A 72 -13.187 -8.685 -9.925 1.00 0.00 C ATOM 1063 SG CYS A 72 -11.658 -7.956 -9.255 1.00 0.00 S ATOM 0 H CYS A 72 -15.046 -9.769 -11.197 1.00 0.00 H new ATOM 0 HA CYS A 72 -13.421 -7.754 -11.848 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -14.039 -8.103 -9.574 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -13.302 -9.692 -9.524 1.00 0.00 H new ATOM 1068 N LYS A 73 -11.219 -8.381 -12.756 1.00 0.00 N ATOM 1069 CA LYS A 73 -9.923 -8.718 -13.331 1.00 0.00 C ATOM 1070 C LYS A 73 -8.892 -7.637 -13.021 1.00 0.00 C ATOM 1071 O LYS A 73 -8.053 -7.307 -13.859 1.00 0.00 O ATOM 1072 CB LYS A 73 -10.045 -8.901 -14.846 1.00 0.00 C ATOM 1073 CG LYS A 73 -10.590 -7.678 -15.564 1.00 0.00 C ATOM 1074 CD LYS A 73 -12.108 -7.701 -15.631 1.00 0.00 C ATOM 1075 CE LYS A 73 -12.657 -6.435 -16.270 1.00 0.00 C ATOM 1076 NZ LYS A 73 -12.744 -6.555 -17.752 1.00 0.00 N ATOM 0 H LYS A 73 -11.555 -7.448 -12.994 1.00 0.00 H new ATOM 0 HA LYS A 73 -9.588 -9.654 -12.884 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.064 -9.145 -15.254 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -10.695 -9.752 -15.050 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.261 -6.776 -15.048 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.181 -7.635 -16.573 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -12.435 -8.570 -16.203 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -12.516 -7.809 -14.626 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -13.646 -6.223 -15.864 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -12.018 -5.591 -16.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -13.123 -5.672 -18.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -11.796 -6.732 -18.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -13.374 -7.345 -18.000 1.00 0.00 H new ATOM 1090 N TYR A 74 -8.960 -7.091 -11.812 1.00 0.00 N ATOM 1091 CA TYR A 74 -8.033 -6.047 -11.392 1.00 0.00 C ATOM 1092 C TYR A 74 -7.202 -6.505 -10.197 1.00 0.00 C ATOM 1093 O TYR A 74 -7.623 -7.369 -9.428 1.00 0.00 O ATOM 1094 CB TYR A 74 -8.797 -4.771 -11.036 1.00 0.00 C ATOM 1095 CG TYR A 74 -9.740 -4.306 -12.123 1.00 0.00 C ATOM 1096 CD1 TYR A 74 -9.278 -4.052 -13.409 1.00 0.00 C ATOM 1097 CD2 TYR A 74 -11.093 -4.122 -11.865 1.00 0.00 C ATOM 1098 CE1 TYR A 74 -10.135 -3.626 -14.405 1.00 0.00 C ATOM 1099 CE2 TYR A 74 -11.958 -3.699 -12.856 1.00 0.00 C ATOM 1100 CZ TYR A 74 -11.474 -3.452 -14.124 1.00 0.00 C ATOM 1101 OH TYR A 74 -12.331 -3.029 -15.114 1.00 0.00 O ATOM 0 H TYR A 74 -9.647 -7.354 -11.106 1.00 0.00 H new ATOM 0 HA TYR A 74 -7.359 -5.839 -12.223 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -9.366 -4.941 -10.122 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -8.082 -3.977 -10.823 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.231 -4.190 -13.633 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -11.475 -4.313 -10.873 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -9.759 -3.430 -15.398 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -13.007 -3.563 -12.639 1.00 0.00 H new ATOM 0 HH TYR A 74 -13.239 -2.958 -14.752 1.00 0.00 H new ATOM 1111 N PHE A 75 -6.019 -5.918 -10.048 1.00 0.00 N ATOM 1112 CA PHE A 75 -5.127 -6.265 -8.948 1.00 0.00 C ATOM 1113 C PHE A 75 -5.680 -5.759 -7.619 1.00 0.00 C ATOM 1114 O PHE A 75 -6.226 -4.658 -7.540 1.00 0.00 O ATOM 1115 CB PHE A 75 -3.734 -5.680 -9.190 1.00 0.00 C ATOM 1116 CG PHE A 75 -2.829 -5.772 -7.994 1.00 0.00 C ATOM 1117 CD1 PHE A 75 -2.093 -6.921 -7.753 1.00 0.00 C ATOM 1118 CD2 PHE A 75 -2.716 -4.711 -7.111 1.00 0.00 C ATOM 1119 CE1 PHE A 75 -1.259 -7.009 -6.654 1.00 0.00 C ATOM 1120 CE2 PHE A 75 -1.884 -4.793 -6.010 1.00 0.00 C ATOM 1121 CZ PHE A 75 -1.156 -5.944 -5.781 1.00 0.00 C ATOM 0 H PHE A 75 -5.656 -5.200 -10.675 1.00 0.00 H new ATOM 0 HA PHE A 75 -5.054 -7.352 -8.901 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -3.270 -6.201 -10.027 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.833 -4.634 -9.481 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -2.172 -7.757 -8.432 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -3.284 -3.809 -7.285 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -0.689 -7.909 -6.478 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -1.803 -3.958 -5.330 1.00 0.00 H new ATOM 0 HZ PHE A 75 -0.507 -6.011 -4.920 1.00 0.00 H new ATOM 1131 N HIS A 76 -5.534 -6.571 -6.577 1.00 0.00 N ATOM 1132 CA HIS A 76 -6.019 -6.207 -5.250 1.00 0.00 C ATOM 1133 C HIS A 76 -4.855 -5.904 -4.311 1.00 0.00 C ATOM 1134 O HIS A 76 -4.198 -6.803 -3.787 1.00 0.00 O ATOM 1135 CB HIS A 76 -6.878 -7.331 -4.671 1.00 0.00 C ATOM 1136 CG HIS A 76 -8.302 -7.294 -5.131 1.00 0.00 C ATOM 1137 ND1 HIS A 76 -9.335 -7.881 -4.430 1.00 0.00 N ATOM 1138 CD2 HIS A 76 -8.865 -6.735 -6.227 1.00 0.00 C ATOM 1139 CE1 HIS A 76 -10.470 -7.685 -5.076 1.00 0.00 C ATOM 1140 NE2 HIS A 76 -10.212 -6.992 -6.170 1.00 0.00 N ATOM 0 H HIS A 76 -5.084 -7.485 -6.626 1.00 0.00 H new ATOM 0 HA HIS A 76 -6.628 -5.308 -5.347 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -6.440 -8.290 -4.947 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -6.855 -7.271 -3.583 1.00 0.00 H new ATOM 0 HD1 HIS A 76 -9.237 -8.387 -3.550 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -8.350 -6.188 -7.003 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -11.443 -8.032 -4.763 1.00 0.00 H new ATOM 1148 N PRO A 77 -4.593 -4.607 -4.092 1.00 0.00 N ATOM 1149 CA PRO A 77 -3.508 -4.155 -3.216 1.00 0.00 C ATOM 1150 C PRO A 77 -3.790 -4.447 -1.746 1.00 0.00 C ATOM 1151 O PRO A 77 -4.916 -4.755 -1.355 1.00 0.00 O ATOM 1152 CB PRO A 77 -3.458 -2.645 -3.461 1.00 0.00 C ATOM 1153 CG PRO A 77 -4.832 -2.290 -3.915 1.00 0.00 C ATOM 1154 CD PRO A 77 -5.335 -3.481 -4.683 1.00 0.00 C ATOM 0 HA PRO A 77 -2.570 -4.667 -3.433 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.189 -2.105 -2.553 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.714 -2.391 -4.215 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -5.479 -2.072 -3.066 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.818 -1.399 -4.542 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -6.412 -3.606 -4.570 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -5.135 -3.384 -5.750 1.00 0.00 H new ATOM 1162 N PRO A 78 -2.746 -4.348 -0.911 1.00 0.00 N ATOM 1163 CA PRO A 78 -2.857 -4.597 0.530 1.00 0.00 C ATOM 1164 C PRO A 78 -3.657 -3.513 1.245 1.00 0.00 C ATOM 1165 O PRO A 78 -4.130 -2.564 0.620 1.00 0.00 O ATOM 1166 CB PRO A 78 -1.402 -4.589 1.005 1.00 0.00 C ATOM 1167 CG PRO A 78 -0.682 -3.752 0.006 1.00 0.00 C ATOM 1168 CD PRO A 78 -1.375 -3.986 -1.308 1.00 0.00 C ATOM 0 HA PRO A 78 -3.384 -5.527 0.744 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -1.315 -4.171 2.008 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -0.993 -5.599 1.044 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -0.716 -2.698 0.283 1.00 0.00 H new ATOM 0 HG3 PRO A 78 0.370 -4.032 -0.052 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -1.360 -3.094 -1.934 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -0.898 -4.783 -1.878 1.00 0.00 H new ATOM 1176 N ALA A 79 -3.804 -3.661 2.557 1.00 0.00 N ATOM 1177 CA ALA A 79 -4.544 -2.693 3.357 1.00 0.00 C ATOM 1178 C ALA A 79 -3.860 -1.330 3.340 1.00 0.00 C ATOM 1179 O ALA A 79 -4.380 -0.370 2.770 1.00 0.00 O ATOM 1180 CB ALA A 79 -4.693 -3.193 4.786 1.00 0.00 C ATOM 0 H ALA A 79 -3.420 -4.442 3.089 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.535 -2.579 2.919 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -5.248 -2.460 5.372 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.232 -4.140 4.786 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -3.706 -3.337 5.226 1.00 0.00 H new ATOM 1186 N HIS A 80 -2.692 -1.251 3.970 1.00 0.00 N ATOM 1187 CA HIS A 80 -1.938 -0.004 4.027 1.00 0.00 C ATOM 1188 C HIS A 80 -2.100 0.790 2.734 1.00 0.00 C ATOM 1189 O HIS A 80 -2.399 1.984 2.760 1.00 0.00 O ATOM 1190 CB HIS A 80 -0.457 -0.290 4.280 1.00 0.00 C ATOM 1191 CG HIS A 80 0.165 -1.184 3.251 1.00 0.00 C ATOM 1192 ND1 HIS A 80 0.887 -0.891 2.145 1.00 0.00 N flip ATOM 1193 CD2 HIS A 80 0.075 -2.559 3.295 1.00 0.00 C flip ATOM 1194 CE1 HIS A 80 1.218 -2.082 1.547 1.00 0.00 C flip ATOM 1195 NE2 HIS A 80 0.717 -3.073 2.262 1.00 0.00 N flip ATOM 0 H HIS A 80 -2.248 -2.035 4.448 1.00 0.00 H new ATOM 0 HA HIS A 80 -2.332 0.592 4.850 1.00 0.00 H new ATOM 0 HB2 HIS A 80 0.088 0.654 4.306 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -0.347 -0.749 5.262 1.00 0.00 H new ATOM 0 HD1 HIS A 80 1.139 0.041 1.816 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -0.440 -3.127 4.056 1.00 0.00 H new ATOM 0 HE1 HIS A 80 1.794 -2.191 0.640 1.00 0.00 H new ATOM 1203 N LEU A 81 -1.902 0.118 1.605 1.00 0.00 N ATOM 1204 CA LEU A 81 -2.026 0.761 0.301 1.00 0.00 C ATOM 1205 C LEU A 81 -3.481 1.105 0.000 1.00 0.00 C ATOM 1206 O LEU A 81 -3.810 2.257 -0.285 1.00 0.00 O ATOM 1207 CB LEU A 81 -1.469 -0.151 -0.794 1.00 0.00 C ATOM 1208 CG LEU A 81 0.040 -0.069 -1.032 1.00 0.00 C ATOM 1209 CD1 LEU A 81 0.498 -1.196 -1.945 1.00 0.00 C ATOM 1210 CD2 LEU A 81 0.414 1.283 -1.622 1.00 0.00 C ATOM 0 H LEU A 81 -1.655 -0.871 1.566 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.450 1.686 0.323 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.722 -1.181 -0.544 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.978 0.085 -1.729 1.00 0.00 H new ATOM 0 HG LEU A 81 0.546 -0.177 -0.073 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.574 -1.122 -2.103 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.264 -2.156 -1.484 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.016 -1.119 -2.903 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.491 1.324 -1.785 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.102 1.421 -2.572 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.121 2.075 -0.932 1.00 0.00 H new ATOM 1222 N GLN A 82 -4.348 0.100 0.066 1.00 0.00 N ATOM 1223 CA GLN A 82 -5.768 0.298 -0.198 1.00 0.00 C ATOM 1224 C GLN A 82 -6.234 1.654 0.321 1.00 0.00 C ATOM 1225 O GLN A 82 -7.113 2.285 -0.267 1.00 0.00 O ATOM 1226 CB GLN A 82 -6.589 -0.819 0.450 1.00 0.00 C ATOM 1227 CG GLN A 82 -6.826 -2.009 -0.466 1.00 0.00 C ATOM 1228 CD GLN A 82 -7.702 -3.070 0.170 1.00 0.00 C ATOM 1229 OE1 GLN A 82 -8.892 -3.172 -0.132 1.00 0.00 O ATOM 1230 NE2 GLN A 82 -7.119 -3.867 1.058 1.00 0.00 N ATOM 0 H GLN A 82 -4.092 -0.859 0.300 1.00 0.00 H new ATOM 0 HA GLN A 82 -5.919 0.271 -1.277 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -6.077 -1.160 1.350 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -7.552 -0.416 0.764 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -7.292 -1.665 -1.389 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -5.867 -2.450 -0.738 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -6.130 -3.748 1.279 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -7.660 -4.598 1.519 1.00 0.00 H new ATOM 1239 N ALA A 83 -5.641 2.096 1.424 1.00 0.00 N ATOM 1240 CA ALA A 83 -5.995 3.378 2.021 1.00 0.00 C ATOM 1241 C ALA A 83 -5.384 4.535 1.238 1.00 0.00 C ATOM 1242 O ALA A 83 -6.052 5.531 0.959 1.00 0.00 O ATOM 1243 CB ALA A 83 -5.545 3.426 3.474 1.00 0.00 C ATOM 0 H ALA A 83 -4.913 1.585 1.923 1.00 0.00 H new ATOM 0 HA ALA A 83 -7.080 3.481 1.984 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -5.816 4.389 3.907 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -6.033 2.627 4.032 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.464 3.297 3.525 1.00 0.00 H new ATOM 1249 N LYS A 84 -4.110 4.397 0.885 1.00 0.00 N ATOM 1250 CA LYS A 84 -3.408 5.431 0.133 1.00 0.00 C ATOM 1251 C LYS A 84 -4.260 5.933 -1.028 1.00 0.00 C ATOM 1252 O LYS A 84 -4.272 7.126 -1.330 1.00 0.00 O ATOM 1253 CB LYS A 84 -2.076 4.891 -0.394 1.00 0.00 C ATOM 1254 CG LYS A 84 -0.916 5.091 0.566 1.00 0.00 C ATOM 1255 CD LYS A 84 0.406 5.204 -0.173 1.00 0.00 C ATOM 1256 CE LYS A 84 1.565 5.421 0.788 1.00 0.00 C ATOM 1257 NZ LYS A 84 2.882 5.236 0.119 1.00 0.00 N ATOM 0 H LYS A 84 -3.543 3.579 1.108 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.214 6.266 0.806 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -2.183 3.827 -0.605 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.843 5.381 -1.339 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -1.082 5.992 1.156 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -0.873 4.256 1.265 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.578 4.298 -0.754 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.359 6.032 -0.881 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.508 6.426 1.205 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.480 4.725 1.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 3.646 5.392 0.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.947 4.269 -0.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 2.974 5.918 -0.661 1.00 0.00 H new ATOM 1271 N ILE A 85 -4.972 5.015 -1.673 1.00 0.00 N ATOM 1272 CA ILE A 85 -5.829 5.366 -2.799 1.00 0.00 C ATOM 1273 C ILE A 85 -7.075 6.110 -2.330 1.00 0.00 C ATOM 1274 O ILE A 85 -7.391 7.191 -2.828 1.00 0.00 O ATOM 1275 CB ILE A 85 -6.258 4.117 -3.591 1.00 0.00 C ATOM 1276 CG1 ILE A 85 -5.030 3.380 -4.128 1.00 0.00 C ATOM 1277 CG2 ILE A 85 -7.190 4.506 -4.729 1.00 0.00 C ATOM 1278 CD1 ILE A 85 -4.469 2.358 -3.165 1.00 0.00 C ATOM 0 H ILE A 85 -4.972 4.023 -1.435 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.244 6.016 -3.450 1.00 0.00 H new ATOM 0 HB ILE A 85 -6.796 3.446 -2.921 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -5.295 2.881 -5.060 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -4.254 4.108 -4.365 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -7.485 3.613 -5.280 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -8.078 4.991 -4.323 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.676 5.193 -5.401 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -3.600 1.875 -3.612 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -4.173 2.853 -2.240 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.229 1.608 -2.947 1.00 0.00 H new ATOM 1290 N LYS A 86 -7.780 5.525 -1.368 1.00 0.00 N ATOM 1291 CA LYS A 86 -8.991 6.132 -0.828 1.00 0.00 C ATOM 1292 C LYS A 86 -8.769 7.610 -0.523 1.00 0.00 C ATOM 1293 O LYS A 86 -9.507 8.470 -1.002 1.00 0.00 O ATOM 1294 CB LYS A 86 -9.431 5.400 0.441 1.00 0.00 C ATOM 1295 CG LYS A 86 -10.278 4.168 0.170 1.00 0.00 C ATOM 1296 CD LYS A 86 -11.282 3.925 1.285 1.00 0.00 C ATOM 1297 CE LYS A 86 -11.575 2.443 1.458 1.00 0.00 C ATOM 1298 NZ LYS A 86 -11.966 2.114 2.856 1.00 0.00 N ATOM 0 H LYS A 86 -7.533 4.630 -0.946 1.00 0.00 H new ATOM 0 HA LYS A 86 -9.776 6.047 -1.580 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -8.546 5.105 1.006 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -9.996 6.088 1.070 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -10.806 4.289 -0.776 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -9.631 3.297 0.065 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -10.895 4.332 2.219 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -12.208 4.457 1.065 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -12.375 2.149 0.779 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -10.694 1.864 1.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -12.157 1.095 2.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -11.193 2.370 3.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -12.822 2.647 3.112 1.00 0.00 H new ATOM 1312 N ALA A 87 -7.746 7.898 0.275 1.00 0.00 N ATOM 1313 CA ALA A 87 -7.425 9.272 0.640 1.00 0.00 C ATOM 1314 C ALA A 87 -7.207 10.133 -0.600 1.00 0.00 C ATOM 1315 O ALA A 87 -7.829 11.184 -0.754 1.00 0.00 O ATOM 1316 CB ALA A 87 -6.193 9.307 1.532 1.00 0.00 C ATOM 0 H ALA A 87 -7.125 7.198 0.681 1.00 0.00 H new ATOM 0 HA ALA A 87 -8.271 9.682 1.191 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -5.965 10.339 1.797 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -6.384 8.733 2.439 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -5.346 8.873 1.000 1.00 0.00 H new ATOM 1322 N ALA A 88 -6.320 9.681 -1.480 1.00 0.00 N ATOM 1323 CA ALA A 88 -6.022 10.409 -2.707 1.00 0.00 C ATOM 1324 C ALA A 88 -7.294 10.969 -3.336 1.00 0.00 C ATOM 1325 O ALA A 88 -7.345 12.139 -3.715 1.00 0.00 O ATOM 1326 CB ALA A 88 -5.296 9.507 -3.694 1.00 0.00 C ATOM 0 H ALA A 88 -5.795 8.814 -1.366 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.373 11.247 -2.454 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.080 10.064 -4.605 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -4.362 9.160 -3.251 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -5.925 8.649 -3.934 1.00 0.00 H new ATOM 1332 N GLN A 89 -8.316 10.126 -3.444 1.00 0.00 N ATOM 1333 CA GLN A 89 -9.586 10.538 -4.029 1.00 0.00 C ATOM 1334 C GLN A 89 -10.127 11.783 -3.334 1.00 0.00 C ATOM 1335 O GLN A 89 -10.317 12.825 -3.963 1.00 0.00 O ATOM 1336 CB GLN A 89 -10.607 9.403 -3.934 1.00 0.00 C ATOM 1337 CG GLN A 89 -10.228 8.175 -4.746 1.00 0.00 C ATOM 1338 CD GLN A 89 -9.943 8.500 -6.198 1.00 0.00 C ATOM 1339 OE1 GLN A 89 -8.760 9.043 -6.463 1.00 0.00 O flip ATOM 1340 NE2 GLN A 89 -10.777 8.267 -7.074 1.00 0.00 N flip ATOM 0 H GLN A 89 -8.289 9.155 -3.134 1.00 0.00 H new ATOM 0 HA GLN A 89 -9.414 10.776 -5.079 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -10.723 9.116 -2.889 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -11.576 9.768 -4.273 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -9.348 7.709 -4.303 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -11.036 7.446 -4.693 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -11.674 7.849 -6.826 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -10.571 8.492 -8.047 1.00 0.00 H new ATOM 1349 N HIS A 90 -10.374 11.669 -2.033 1.00 0.00 N ATOM 1350 CA HIS A 90 -10.893 12.786 -1.252 1.00 0.00 C ATOM 1351 C HIS A 90 -9.768 13.729 -0.838 1.00 0.00 C ATOM 1352 O HIS A 90 -8.858 13.340 -0.106 1.00 0.00 O ATOM 1353 CB HIS A 90 -11.626 12.272 -0.012 1.00 0.00 C ATOM 1354 CG HIS A 90 -12.990 11.727 -0.305 1.00 0.00 C ATOM 1355 ND1 HIS A 90 -14.149 12.310 0.160 1.00 0.00 N ATOM 1356 CD2 HIS A 90 -13.376 10.646 -1.022 1.00 0.00 C ATOM 1357 CE1 HIS A 90 -15.189 11.611 -0.257 1.00 0.00 C ATOM 1358 NE2 HIS A 90 -14.747 10.595 -0.977 1.00 0.00 N ATOM 0 H HIS A 90 -10.223 10.814 -1.497 1.00 0.00 H new ATOM 0 HA HIS A 90 -11.595 13.339 -1.877 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -11.026 11.493 0.458 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -11.716 13.084 0.710 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -12.726 9.952 -1.534 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -16.225 11.832 -0.045 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -15.329 9.888 -1.426 1.00 0.00 H new ATOM 1366 N GLN A 91 -9.837 14.969 -1.311 1.00 0.00 N ATOM 1367 CA GLN A 91 -8.823 15.966 -0.991 1.00 0.00 C ATOM 1368 C GLN A 91 -8.695 16.148 0.518 1.00 0.00 C ATOM 1369 O GLN A 91 -9.597 16.677 1.167 1.00 0.00 O ATOM 1370 CB GLN A 91 -9.166 17.303 -1.651 1.00 0.00 C ATOM 1371 CG GLN A 91 -8.074 18.352 -1.504 1.00 0.00 C ATOM 1372 CD GLN A 91 -8.583 19.760 -1.739 1.00 0.00 C ATOM 1373 OE1 GLN A 91 -8.825 20.164 -2.877 1.00 0.00 O ATOM 1374 NE2 GLN A 91 -8.749 20.517 -0.660 1.00 0.00 N ATOM 0 H GLN A 91 -10.585 15.307 -1.917 1.00 0.00 H new ATOM 0 HA GLN A 91 -7.867 15.612 -1.378 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -9.358 17.137 -2.711 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -10.089 17.687 -1.216 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -7.645 18.287 -0.504 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -7.272 18.137 -2.210 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -8.536 20.141 0.264 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -9.089 21.474 -0.756 1.00 0.00 H new ATOM 1383 N ALA A 92 -7.570 15.706 1.069 1.00 0.00 N ATOM 1384 CA ALA A 92 -7.324 15.822 2.501 1.00 0.00 C ATOM 1385 C ALA A 92 -5.900 15.402 2.849 1.00 0.00 C ATOM 1386 O ALA A 92 -5.547 14.227 2.747 1.00 0.00 O ATOM 1387 CB ALA A 92 -8.328 14.984 3.278 1.00 0.00 C ATOM 0 H ALA A 92 -6.814 15.264 0.546 1.00 0.00 H new ATOM 0 HA ALA A 92 -7.445 16.868 2.782 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -8.133 15.080 4.346 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -9.338 15.332 3.061 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -8.234 13.939 2.984 1.00 0.00 H new ATOM 1393 N ASN A 93 -5.086 16.369 3.260 1.00 0.00 N ATOM 1394 CA ASN A 93 -3.699 16.098 3.622 1.00 0.00 C ATOM 1395 C ASN A 93 -3.554 15.934 5.132 1.00 0.00 C ATOM 1396 O ASN A 93 -4.022 16.769 5.904 1.00 0.00 O ATOM 1397 CB ASN A 93 -2.793 17.229 3.130 1.00 0.00 C ATOM 1398 CG ASN A 93 -1.453 17.245 3.841 1.00 0.00 C ATOM 1399 OD1 ASN A 93 -1.370 17.570 5.025 1.00 0.00 O ATOM 1400 ND2 ASN A 93 -0.396 16.894 3.118 1.00 0.00 N ATOM 0 H ASN A 93 -5.362 17.347 3.351 1.00 0.00 H new ATOM 0 HA ASN A 93 -3.398 15.166 3.143 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -2.631 17.121 2.057 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -3.294 18.185 3.282 1.00 0.00 H new ATOM 0 HD21 ASN A 93 0.532 16.887 3.542 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -0.512 16.632 2.139 1.00 0.00 H new ATOM 1407 N GLN A 94 -2.900 14.853 5.543 1.00 0.00 N ATOM 1408 CA GLN A 94 -2.692 14.579 6.960 1.00 0.00 C ATOM 1409 C GLN A 94 -1.208 14.418 7.272 1.00 0.00 C ATOM 1410 O GLN A 94 -0.662 15.125 8.119 1.00 0.00 O ATOM 1411 CB GLN A 94 -3.452 13.318 7.375 1.00 0.00 C ATOM 1412 CG GLN A 94 -3.801 13.276 8.854 1.00 0.00 C ATOM 1413 CD GLN A 94 -2.645 12.803 9.713 1.00 0.00 C ATOM 1414 OE1 GLN A 94 -2.431 11.602 9.880 1.00 0.00 O ATOM 1415 NE2 GLN A 94 -1.891 13.748 10.264 1.00 0.00 N ATOM 0 H GLN A 94 -2.505 14.153 4.915 1.00 0.00 H new ATOM 0 HA GLN A 94 -3.074 15.428 7.527 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -4.370 13.249 6.792 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -2.850 12.443 7.127 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -4.108 14.270 9.179 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -4.654 12.614 9.003 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -2.105 14.732 10.099 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -1.099 13.490 10.852 1.00 0.00 H new ATOM 1424 N ALA A 95 -0.562 13.484 6.582 1.00 0.00 N ATOM 1425 CA ALA A 95 0.860 13.231 6.785 1.00 0.00 C ATOM 1426 C ALA A 95 1.604 13.187 5.455 1.00 0.00 C ATOM 1427 O ALA A 95 1.047 12.784 4.434 1.00 0.00 O ATOM 1428 CB ALA A 95 1.061 11.931 7.548 1.00 0.00 C ATOM 0 H ALA A 95 -1.000 12.890 5.878 1.00 0.00 H new ATOM 0 HA ALA A 95 1.270 14.052 7.374 1.00 0.00 H new ATOM 0 HB1 ALA A 95 2.127 11.755 7.692 1.00 0.00 H new ATOM 0 HB2 ALA A 95 0.570 11.999 8.519 1.00 0.00 H new ATOM 0 HB3 ALA A 95 0.630 11.106 6.981 1.00 0.00 H new ATOM 1434 N ALA A 96 2.866 13.603 5.474 1.00 0.00 N ATOM 1435 CA ALA A 96 3.687 13.610 4.269 1.00 0.00 C ATOM 1436 C ALA A 96 5.069 13.027 4.544 1.00 0.00 C ATOM 1437 O ALA A 96 5.989 13.744 4.938 1.00 0.00 O ATOM 1438 CB ALA A 96 3.807 15.023 3.720 1.00 0.00 C ATOM 0 H ALA A 96 3.342 13.940 6.311 1.00 0.00 H new ATOM 0 HA ALA A 96 3.199 12.983 3.523 1.00 0.00 H new ATOM 0 HB1 ALA A 96 4.423 15.013 2.821 1.00 0.00 H new ATOM 0 HB2 ALA A 96 2.815 15.404 3.477 1.00 0.00 H new ATOM 0 HB3 ALA A 96 4.269 15.666 4.469 1.00 0.00 H new ATOM 1444 N VAL A 97 5.209 11.722 4.333 1.00 0.00 N ATOM 1445 CA VAL A 97 6.479 11.043 4.558 1.00 0.00 C ATOM 1446 C VAL A 97 7.029 10.462 3.260 1.00 0.00 C ATOM 1447 O VAL A 97 8.213 10.605 2.956 1.00 0.00 O ATOM 1448 CB VAL A 97 6.336 9.913 5.594 1.00 0.00 C ATOM 1449 CG1 VAL A 97 7.660 9.186 5.778 1.00 0.00 C ATOM 1450 CG2 VAL A 97 5.833 10.465 6.919 1.00 0.00 C ATOM 0 H VAL A 97 4.458 11.114 4.006 1.00 0.00 H new ATOM 0 HA VAL A 97 7.174 11.790 4.941 1.00 0.00 H new ATOM 0 HB VAL A 97 5.603 9.196 5.224 1.00 0.00 H new ATOM 0 HG11 VAL A 97 7.539 8.391 6.514 1.00 0.00 H new ATOM 0 HG12 VAL A 97 7.974 8.756 4.827 1.00 0.00 H new ATOM 0 HG13 VAL A 97 8.416 9.890 6.125 1.00 0.00 H new ATOM 0 HG21 VAL A 97 5.738 9.652 7.639 1.00 0.00 H new ATOM 0 HG22 VAL A 97 6.539 11.204 7.297 1.00 0.00 H new ATOM 0 HG23 VAL A 97 4.861 10.935 6.772 1.00 0.00 H new ATOM 1460 N ALA A 98 6.160 9.806 2.497 1.00 0.00 N ATOM 1461 CA ALA A 98 6.558 9.205 1.230 1.00 0.00 C ATOM 1462 C ALA A 98 7.571 10.081 0.501 1.00 0.00 C ATOM 1463 O ALA A 98 7.434 11.303 0.520 1.00 0.00 O ATOM 1464 CB ALA A 98 5.337 8.966 0.354 1.00 0.00 C ATOM 0 H ALA A 98 5.176 9.678 2.734 1.00 0.00 H new ATOM 0 HA ALA A 98 7.033 8.247 1.443 1.00 0.00 H new ATOM 0 HB1 ALA A 98 5.648 8.517 -0.589 1.00 0.00 H new ATOM 0 HB2 ALA A 98 4.648 8.294 0.866 1.00 0.00 H new ATOM 0 HB3 ALA A 98 4.839 9.915 0.157 1.00 0.00 H new TER 1470 ALA A 98 HETATM 1471 ZN ZN A 201 9.274 -3.548 -4.009 1.00 0.00 ZN HETATM 1472 ZN ZN A 401 -11.867 -6.706 -7.343 1.00 0.00 ZN