USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 541 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 38 HIS HD1 : A 38 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 68 HIS HD1 : A 68 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 71 HIS : no HD1:sc= 0 X(o=0,f=-0.03) USER MOD Set 1.2: A 75 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 13 MET CE :methyl -142:sc= -0.394 (180deg=-0.396) USER MOD Set 2.2: A 17 LYS NZ :NH3+ 162:sc= -0.0835 (180deg=-0.0589) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 32:sc= 0.488 USER MOD Single : A 3 SER OG : rot -12:sc= 0.903 USER MOD Single : A 5 SER OG : rot 32:sc= 0.305 USER MOD Single : A 6 SER OG : rot 44:sc= 1.28 USER MOD Single : A 8 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0697) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.117 K(o=-0.12,f=-2.2!) USER MOD Single : A 28 ASN : amide:sc= -0.0221 K(o=-0.022,f=-1.1) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl -114:sc= -0.177 (180deg=-4.28) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0764 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 40:sc= 0.28 USER MOD Single : A 55 SER OG : rot 86:sc= 0.0932 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HE2:sc= -2.99! C(o=-3!,f=-3.3!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -41.768 14.710 -31.545 1.00 0.00 N ATOM 2 CA GLY A 1 -40.778 13.734 -31.128 1.00 0.00 C ATOM 3 C GLY A 1 -40.028 14.166 -29.883 1.00 0.00 C ATOM 4 O GLY A 1 -39.518 15.284 -29.814 1.00 0.00 O ATOM 0 H1 GLY A 1 -42.253 14.369 -32.399 1.00 0.00 H new ATOM 0 H2 GLY A 1 -42.463 14.847 -30.783 1.00 0.00 H new ATOM 0 H3 GLY A 1 -41.298 15.615 -31.752 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -41.270 12.780 -30.940 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -40.068 13.572 -31.939 1.00 0.00 H new ATOM 8 N SER A 2 -39.961 13.278 -28.897 1.00 0.00 N ATOM 9 CA SER A 2 -39.272 13.575 -27.646 1.00 0.00 C ATOM 10 C SER A 2 -38.998 12.297 -26.860 1.00 0.00 C ATOM 11 O SER A 2 -39.914 11.529 -26.563 1.00 0.00 O ATOM 12 CB SER A 2 -40.102 14.541 -26.799 1.00 0.00 C ATOM 13 OG SER A 2 -41.316 13.940 -26.383 1.00 0.00 O ATOM 0 H SER A 2 -40.375 12.347 -28.940 1.00 0.00 H new ATOM 0 HA SER A 2 -38.318 14.043 -27.888 1.00 0.00 H new ATOM 0 HB2 SER A 2 -39.527 14.850 -25.926 1.00 0.00 H new ATOM 0 HB3 SER A 2 -40.317 15.442 -27.374 1.00 0.00 H new ATOM 0 HG SER A 2 -41.180 12.977 -26.264 1.00 0.00 H new ATOM 19 N SER A 3 -37.731 12.075 -26.525 1.00 0.00 N ATOM 20 CA SER A 3 -37.334 10.888 -25.777 1.00 0.00 C ATOM 21 C SER A 3 -35.992 11.105 -25.085 1.00 0.00 C ATOM 22 O SER A 3 -34.994 11.426 -25.730 1.00 0.00 O ATOM 23 CB SER A 3 -37.252 9.676 -26.707 1.00 0.00 C ATOM 24 OG SER A 3 -38.520 9.372 -27.262 1.00 0.00 O ATOM 0 H SER A 3 -36.962 12.702 -26.760 1.00 0.00 H new ATOM 0 HA SER A 3 -38.090 10.700 -25.014 1.00 0.00 H new ATOM 0 HB2 SER A 3 -36.540 9.876 -27.507 1.00 0.00 H new ATOM 0 HB3 SER A 3 -36.877 8.814 -26.154 1.00 0.00 H new ATOM 0 HG SER A 3 -39.214 9.877 -26.788 1.00 0.00 H new ATOM 30 N GLY A 4 -35.975 10.927 -23.768 1.00 0.00 N ATOM 31 CA GLY A 4 -34.751 11.107 -23.010 1.00 0.00 C ATOM 32 C GLY A 4 -34.590 10.073 -21.914 1.00 0.00 C ATOM 33 O GLY A 4 -35.264 10.136 -20.887 1.00 0.00 O ATOM 0 H GLY A 4 -36.788 10.661 -23.212 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -33.897 11.051 -23.686 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -34.744 12.104 -22.569 1.00 0.00 H new ATOM 37 N SER A 5 -33.694 9.115 -22.134 1.00 0.00 N ATOM 38 CA SER A 5 -33.450 8.059 -21.159 1.00 0.00 C ATOM 39 C SER A 5 -32.270 7.190 -21.584 1.00 0.00 C ATOM 40 O SER A 5 -32.270 6.611 -22.670 1.00 0.00 O ATOM 41 CB SER A 5 -34.700 7.193 -20.990 1.00 0.00 C ATOM 42 OG SER A 5 -35.062 6.575 -22.212 1.00 0.00 O ATOM 0 H SER A 5 -33.126 9.049 -22.978 1.00 0.00 H new ATOM 0 HA SER A 5 -33.209 8.528 -20.205 1.00 0.00 H new ATOM 0 HB2 SER A 5 -34.518 6.430 -20.233 1.00 0.00 H new ATOM 0 HB3 SER A 5 -35.526 7.807 -20.631 1.00 0.00 H new ATOM 0 HG SER A 5 -34.256 6.398 -22.740 1.00 0.00 H new ATOM 48 N SER A 6 -31.264 7.104 -20.719 1.00 0.00 N ATOM 49 CA SER A 6 -30.075 6.310 -21.005 1.00 0.00 C ATOM 50 C SER A 6 -29.194 6.186 -19.766 1.00 0.00 C ATOM 51 O SER A 6 -29.009 7.149 -19.023 1.00 0.00 O ATOM 52 CB SER A 6 -29.279 6.938 -22.151 1.00 0.00 C ATOM 53 OG SER A 6 -29.722 6.452 -23.406 1.00 0.00 O ATOM 0 H SER A 6 -31.249 7.575 -19.814 1.00 0.00 H new ATOM 0 HA SER A 6 -30.398 5.312 -21.301 1.00 0.00 H new ATOM 0 HB2 SER A 6 -29.384 8.022 -22.120 1.00 0.00 H new ATOM 0 HB3 SER A 6 -28.219 6.717 -22.026 1.00 0.00 H new ATOM 0 HG SER A 6 -30.702 6.434 -23.423 1.00 0.00 H new ATOM 59 N GLY A 7 -28.651 4.991 -19.551 1.00 0.00 N ATOM 60 CA GLY A 7 -27.795 4.762 -18.401 1.00 0.00 C ATOM 61 C GLY A 7 -28.482 3.953 -17.319 1.00 0.00 C ATOM 62 O GLY A 7 -28.752 4.460 -16.231 1.00 0.00 O ATOM 0 H GLY A 7 -28.788 4.178 -20.152 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -26.892 4.242 -18.722 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -27.481 5.721 -17.989 1.00 0.00 H new ATOM 66 N LYS A 8 -28.767 2.690 -17.618 1.00 0.00 N ATOM 67 CA LYS A 8 -29.428 1.808 -16.663 1.00 0.00 C ATOM 68 C LYS A 8 -28.411 0.936 -15.934 1.00 0.00 C ATOM 69 O LYS A 8 -28.674 -0.231 -15.644 1.00 0.00 O ATOM 70 CB LYS A 8 -30.453 0.924 -17.379 1.00 0.00 C ATOM 71 CG LYS A 8 -29.827 -0.120 -18.287 1.00 0.00 C ATOM 72 CD LYS A 8 -30.698 -1.360 -18.394 1.00 0.00 C ATOM 73 CE LYS A 8 -31.680 -1.253 -19.552 1.00 0.00 C ATOM 74 NZ LYS A 8 -31.007 -1.433 -20.868 1.00 0.00 N ATOM 0 H LYS A 8 -28.551 2.254 -18.514 1.00 0.00 H new ATOM 0 HA LYS A 8 -29.942 2.428 -15.929 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -31.071 0.422 -16.634 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -31.116 1.556 -17.969 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -29.673 0.304 -19.279 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -28.845 -0.396 -17.903 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -30.067 -2.238 -18.530 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -31.246 -1.503 -17.463 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -32.460 -2.005 -19.437 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -32.169 -0.279 -19.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -31.724 -1.573 -21.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -30.443 -0.587 -21.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -30.383 -2.264 -20.828 1.00 0.00 H new ATOM 88 N ASP A 9 -27.250 1.510 -15.640 1.00 0.00 N ATOM 89 CA ASP A 9 -26.194 0.786 -14.942 1.00 0.00 C ATOM 90 C ASP A 9 -25.235 1.753 -14.254 1.00 0.00 C ATOM 91 O ASP A 9 -24.535 2.523 -14.912 1.00 0.00 O ATOM 92 CB ASP A 9 -25.425 -0.105 -15.919 1.00 0.00 C ATOM 93 CG ASP A 9 -24.876 0.670 -17.100 1.00 0.00 C ATOM 94 OD1 ASP A 9 -25.671 1.031 -17.994 1.00 0.00 O ATOM 95 OD2 ASP A 9 -23.653 0.916 -17.131 1.00 0.00 O ATOM 0 H ASP A 9 -27.016 2.475 -15.874 1.00 0.00 H new ATOM 0 HA ASP A 9 -26.659 0.160 -14.180 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -24.603 -0.591 -15.393 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -26.083 -0.895 -16.281 1.00 0.00 H new ATOM 100 N PHE A 10 -25.208 1.708 -12.926 1.00 0.00 N ATOM 101 CA PHE A 10 -24.337 2.582 -12.149 1.00 0.00 C ATOM 102 C PHE A 10 -22.912 2.036 -12.113 1.00 0.00 C ATOM 103 O PHE A 10 -22.619 0.994 -12.701 1.00 0.00 O ATOM 104 CB PHE A 10 -24.873 2.735 -10.724 1.00 0.00 C ATOM 105 CG PHE A 10 -26.255 3.319 -10.663 1.00 0.00 C ATOM 106 CD1 PHE A 10 -26.442 4.691 -10.662 1.00 0.00 C ATOM 107 CD2 PHE A 10 -27.368 2.494 -10.606 1.00 0.00 C ATOM 108 CE1 PHE A 10 -27.713 5.232 -10.606 1.00 0.00 C ATOM 109 CE2 PHE A 10 -28.641 3.029 -10.551 1.00 0.00 C ATOM 110 CZ PHE A 10 -28.814 4.400 -10.549 1.00 0.00 C ATOM 0 H PHE A 10 -25.779 1.076 -12.366 1.00 0.00 H new ATOM 0 HA PHE A 10 -24.321 3.560 -12.630 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -24.878 1.759 -10.240 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -24.194 3.370 -10.155 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -25.585 5.346 -10.705 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -27.239 1.422 -10.605 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -27.845 6.304 -10.607 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -29.500 2.376 -10.510 1.00 0.00 H new ATOM 0 HZ PHE A 10 -29.808 4.820 -10.503 1.00 0.00 H new ATOM 120 N LEU A 11 -22.030 2.747 -11.419 1.00 0.00 N ATOM 121 CA LEU A 11 -20.635 2.336 -11.306 1.00 0.00 C ATOM 122 C LEU A 11 -20.528 0.830 -11.087 1.00 0.00 C ATOM 123 O LEU A 11 -20.824 0.328 -10.004 1.00 0.00 O ATOM 124 CB LEU A 11 -19.956 3.080 -10.155 1.00 0.00 C ATOM 125 CG LEU A 11 -19.233 4.375 -10.527 1.00 0.00 C ATOM 126 CD1 LEU A 11 -18.031 4.080 -11.411 1.00 0.00 C ATOM 127 CD2 LEU A 11 -20.185 5.337 -11.221 1.00 0.00 C ATOM 0 H LEU A 11 -22.256 3.611 -10.926 1.00 0.00 H new ATOM 0 HA LEU A 11 -20.131 2.586 -12.239 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -20.711 3.312 -9.403 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -19.237 2.407 -9.688 1.00 0.00 H new ATOM 0 HG LEU A 11 -18.877 4.846 -9.611 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -17.529 5.013 -11.666 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -17.338 3.429 -10.878 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -18.363 3.586 -12.324 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -19.653 6.253 -11.478 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -20.572 4.875 -12.129 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -21.014 5.574 -10.554 1.00 0.00 H new ATOM 139 N ALA A 12 -20.099 0.116 -12.123 1.00 0.00 N ATOM 140 CA ALA A 12 -19.948 -1.331 -12.043 1.00 0.00 C ATOM 141 C ALA A 12 -18.476 -1.730 -12.034 1.00 0.00 C ATOM 142 O ALA A 12 -18.077 -2.682 -12.703 1.00 0.00 O ATOM 143 CB ALA A 12 -20.671 -2.002 -13.202 1.00 0.00 C ATOM 0 H ALA A 12 -19.850 0.517 -13.027 1.00 0.00 H new ATOM 0 HA ALA A 12 -20.394 -1.667 -11.107 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -20.550 -3.083 -13.130 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -21.731 -1.752 -13.163 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -20.250 -1.652 -14.145 1.00 0.00 H new ATOM 149 N MET A 13 -17.674 -0.994 -11.272 1.00 0.00 N ATOM 150 CA MET A 13 -16.245 -1.272 -11.175 1.00 0.00 C ATOM 151 C MET A 13 -15.784 -1.249 -9.722 1.00 0.00 C ATOM 152 O MET A 13 -15.543 -0.184 -9.153 1.00 0.00 O ATOM 153 CB MET A 13 -15.449 -0.252 -11.991 1.00 0.00 C ATOM 154 CG MET A 13 -15.563 -0.454 -13.494 1.00 0.00 C ATOM 155 SD MET A 13 -14.581 -1.846 -14.083 1.00 0.00 S ATOM 156 CE MET A 13 -13.257 -0.991 -14.935 1.00 0.00 C ATOM 0 H MET A 13 -17.989 -0.201 -10.713 1.00 0.00 H new ATOM 0 HA MET A 13 -16.066 -2.269 -11.578 1.00 0.00 H new ATOM 0 HB2 MET A 13 -15.794 0.751 -11.740 1.00 0.00 H new ATOM 0 HB3 MET A 13 -14.399 -0.309 -11.704 1.00 0.00 H new ATOM 0 HG2 MET A 13 -16.609 -0.615 -13.757 1.00 0.00 H new ATOM 0 HG3 MET A 13 -15.242 0.454 -14.004 1.00 0.00 H new ATOM 0 HE1 MET A 13 -12.991 -1.540 -15.838 1.00 0.00 H new ATOM 0 HE2 MET A 13 -13.586 0.013 -15.204 1.00 0.00 H new ATOM 0 HE3 MET A 13 -12.387 -0.925 -14.282 1.00 0.00 H new ATOM 166 N PHE A 14 -15.663 -2.431 -9.125 1.00 0.00 N ATOM 167 CA PHE A 14 -15.232 -2.546 -7.737 1.00 0.00 C ATOM 168 C PHE A 14 -13.993 -3.430 -7.624 1.00 0.00 C ATOM 169 O PHE A 14 -13.001 -3.049 -7.003 1.00 0.00 O ATOM 170 CB PHE A 14 -16.360 -3.117 -6.876 1.00 0.00 C ATOM 171 CG PHE A 14 -15.994 -3.261 -5.426 1.00 0.00 C ATOM 172 CD1 PHE A 14 -16.076 -2.177 -4.567 1.00 0.00 C ATOM 173 CD2 PHE A 14 -15.568 -4.479 -4.923 1.00 0.00 C ATOM 174 CE1 PHE A 14 -15.739 -2.307 -3.233 1.00 0.00 C ATOM 175 CE2 PHE A 14 -15.229 -4.615 -3.590 1.00 0.00 C ATOM 176 CZ PHE A 14 -15.316 -3.527 -2.743 1.00 0.00 C ATOM 0 H PHE A 14 -15.858 -3.322 -9.581 1.00 0.00 H new ATOM 0 HA PHE A 14 -14.979 -1.549 -7.377 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -17.233 -2.470 -6.959 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -16.648 -4.092 -7.268 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -16.407 -1.220 -4.944 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -15.500 -5.333 -5.580 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -15.806 -1.454 -2.574 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -14.897 -5.570 -3.211 1.00 0.00 H new ATOM 0 HZ PHE A 14 -15.054 -3.630 -1.700 1.00 0.00 H new ATOM 186 N SER A 15 -14.059 -4.611 -8.229 1.00 0.00 N ATOM 187 CA SER A 15 -12.946 -5.552 -8.193 1.00 0.00 C ATOM 188 C SER A 15 -11.731 -4.983 -8.920 1.00 0.00 C ATOM 189 O SER A 15 -11.849 -4.181 -9.846 1.00 0.00 O ATOM 190 CB SER A 15 -13.355 -6.884 -8.825 1.00 0.00 C ATOM 191 OG SER A 15 -14.621 -7.306 -8.350 1.00 0.00 O ATOM 0 H SER A 15 -14.872 -4.939 -8.750 1.00 0.00 H new ATOM 0 HA SER A 15 -12.678 -5.721 -7.150 1.00 0.00 H new ATOM 0 HB2 SER A 15 -13.386 -6.781 -9.910 1.00 0.00 H new ATOM 0 HB3 SER A 15 -12.606 -7.643 -8.598 1.00 0.00 H new ATOM 0 HG SER A 15 -14.860 -8.158 -8.770 1.00 0.00 H new ATOM 197 N PRO A 16 -10.533 -5.408 -8.490 1.00 0.00 N ATOM 198 CA PRO A 16 -9.272 -4.955 -9.085 1.00 0.00 C ATOM 199 C PRO A 16 -9.069 -5.498 -10.495 1.00 0.00 C ATOM 200 O PRO A 16 -9.810 -6.370 -10.949 1.00 0.00 O ATOM 201 CB PRO A 16 -8.210 -5.517 -8.137 1.00 0.00 C ATOM 202 CG PRO A 16 -8.856 -6.700 -7.503 1.00 0.00 C ATOM 203 CD PRO A 16 -10.318 -6.363 -7.390 1.00 0.00 C ATOM 0 HA PRO A 16 -9.237 -3.871 -9.190 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.307 -5.801 -8.678 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.915 -4.779 -7.391 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -8.708 -7.596 -8.106 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -8.425 -6.901 -6.522 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -10.944 -7.249 -7.498 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -10.555 -5.921 -6.422 1.00 0.00 H new ATOM 211 N LYS A 17 -8.058 -4.979 -11.184 1.00 0.00 N ATOM 212 CA LYS A 17 -7.754 -5.414 -12.542 1.00 0.00 C ATOM 213 C LYS A 17 -6.248 -5.432 -12.784 1.00 0.00 C ATOM 214 O LYS A 17 -5.504 -4.653 -12.188 1.00 0.00 O ATOM 215 CB LYS A 17 -8.433 -4.491 -13.558 1.00 0.00 C ATOM 216 CG LYS A 17 -9.880 -4.176 -13.221 1.00 0.00 C ATOM 217 CD LYS A 17 -10.594 -3.519 -14.391 1.00 0.00 C ATOM 218 CE LYS A 17 -11.157 -4.555 -15.352 1.00 0.00 C ATOM 219 NZ LYS A 17 -12.003 -3.930 -16.406 1.00 0.00 N ATOM 0 H LYS A 17 -7.435 -4.256 -10.824 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.136 -6.427 -12.667 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.872 -3.559 -13.621 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.391 -4.955 -14.543 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.399 -5.094 -12.946 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -9.918 -3.517 -12.354 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.402 -2.889 -14.019 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -9.901 -2.867 -14.922 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.337 -5.100 -15.820 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.748 -5.283 -14.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -12.116 -4.593 -17.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.937 -3.701 -16.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -11.547 -3.059 -16.746 1.00 0.00 H new ATOM 233 N CYS A 18 -5.805 -6.326 -13.662 1.00 0.00 N ATOM 234 CA CYS A 18 -4.389 -6.446 -13.983 1.00 0.00 C ATOM 235 C CYS A 18 -3.799 -5.089 -14.357 1.00 0.00 C ATOM 236 O CYS A 18 -4.384 -4.341 -15.139 1.00 0.00 O ATOM 237 CB CYS A 18 -4.187 -7.436 -15.132 1.00 0.00 C ATOM 238 SG CYS A 18 -2.683 -7.138 -16.115 1.00 0.00 S ATOM 0 H CYS A 18 -6.408 -6.978 -14.164 1.00 0.00 H new ATOM 0 HA CYS A 18 -3.872 -6.816 -13.098 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -4.147 -8.446 -14.724 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -5.054 -7.392 -15.792 1.00 0.00 H new ATOM 243 N GLY A 19 -2.635 -4.780 -13.793 1.00 0.00 N ATOM 244 CA GLY A 19 -1.986 -3.514 -14.079 1.00 0.00 C ATOM 245 C GLY A 19 -1.312 -3.502 -15.437 1.00 0.00 C ATOM 246 O GLY A 19 -0.196 -3.005 -15.580 1.00 0.00 O ATOM 0 H GLY A 19 -2.130 -5.383 -13.144 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -2.724 -2.713 -14.036 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -1.245 -3.307 -13.307 1.00 0.00 H new ATOM 250 N GLY A 20 -1.992 -4.052 -16.438 1.00 0.00 N ATOM 251 CA GLY A 20 -1.436 -4.094 -17.778 1.00 0.00 C ATOM 252 C GLY A 20 -2.508 -4.112 -18.850 1.00 0.00 C ATOM 253 O GLY A 20 -2.460 -3.329 -19.799 1.00 0.00 O ATOM 0 H GLY A 20 -2.918 -4.469 -16.345 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -0.791 -3.228 -17.928 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.809 -4.980 -17.880 1.00 0.00 H new ATOM 257 N CYS A 21 -3.478 -5.008 -18.701 1.00 0.00 N ATOM 258 CA CYS A 21 -4.565 -5.126 -19.664 1.00 0.00 C ATOM 259 C CYS A 21 -5.843 -4.491 -19.124 1.00 0.00 C ATOM 260 O CYS A 21 -6.822 -4.326 -19.850 1.00 0.00 O ATOM 261 CB CYS A 21 -4.817 -6.597 -20.002 1.00 0.00 C ATOM 262 SG CYS A 21 -3.309 -7.618 -20.046 1.00 0.00 S ATOM 0 H CYS A 21 -3.533 -5.663 -17.921 1.00 0.00 H new ATOM 0 HA CYS A 21 -4.272 -4.596 -20.570 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -5.505 -7.015 -19.267 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -5.312 -6.656 -20.971 1.00 0.00 H new ATOM 267 N ASN A 22 -5.825 -4.136 -17.843 1.00 0.00 N ATOM 268 CA ASN A 22 -6.982 -3.520 -17.204 1.00 0.00 C ATOM 269 C ASN A 22 -8.185 -4.456 -17.237 1.00 0.00 C ATOM 270 O ASN A 22 -9.313 -4.026 -17.480 1.00 0.00 O ATOM 271 CB ASN A 22 -7.329 -2.200 -17.896 1.00 0.00 C ATOM 272 CG ASN A 22 -6.553 -1.027 -17.328 1.00 0.00 C ATOM 273 OD1 ASN A 22 -6.021 -1.099 -16.220 1.00 0.00 O ATOM 274 ND2 ASN A 22 -6.486 0.061 -18.086 1.00 0.00 N ATOM 0 H ASN A 22 -5.022 -4.264 -17.227 1.00 0.00 H new ATOM 0 HA ASN A 22 -6.728 -3.322 -16.163 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -7.122 -2.287 -18.963 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -8.397 -2.009 -17.793 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.978 0.882 -17.756 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -6.942 0.076 -18.998 1.00 0.00 H new ATOM 281 N ARG A 23 -7.937 -5.739 -16.992 1.00 0.00 N ATOM 282 CA ARG A 23 -9.000 -6.737 -16.994 1.00 0.00 C ATOM 283 C ARG A 23 -9.244 -7.274 -15.587 1.00 0.00 C ATOM 284 O ARG A 23 -8.342 -7.327 -14.751 1.00 0.00 O ATOM 285 CB ARG A 23 -8.646 -7.888 -17.937 1.00 0.00 C ATOM 286 CG ARG A 23 -8.719 -7.514 -19.408 1.00 0.00 C ATOM 287 CD ARG A 23 -8.782 -8.749 -20.294 1.00 0.00 C ATOM 288 NE ARG A 23 -8.615 -8.418 -21.707 1.00 0.00 N ATOM 289 CZ ARG A 23 -8.708 -9.310 -22.686 1.00 0.00 C ATOM 290 NH1 ARG A 23 -8.963 -10.581 -22.408 1.00 0.00 N ATOM 291 NH2 ARG A 23 -8.544 -8.932 -23.948 1.00 0.00 N ATOM 0 H ARG A 23 -7.009 -6.111 -16.790 1.00 0.00 H new ATOM 0 HA ARG A 23 -9.914 -6.257 -17.345 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -7.639 -8.237 -17.709 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -9.322 -8.722 -17.749 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -9.598 -6.894 -19.584 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -7.848 -6.916 -19.676 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -8.005 -9.452 -19.992 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -9.739 -9.250 -20.150 1.00 0.00 H new ATOM 0 HE ARG A 23 -8.416 -7.449 -21.955 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -9.088 -10.876 -21.440 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -9.034 -11.264 -23.162 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -8.346 -7.955 -24.166 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -8.616 -9.618 -24.699 1.00 0.00 H new ATOM 305 N PRO A 24 -10.493 -7.683 -15.317 1.00 0.00 N ATOM 306 CA PRO A 24 -10.884 -8.224 -14.012 1.00 0.00 C ATOM 307 C PRO A 24 -10.273 -9.595 -13.746 1.00 0.00 C ATOM 308 O PRO A 24 -10.703 -10.599 -14.316 1.00 0.00 O ATOM 309 CB PRO A 24 -12.408 -8.328 -14.115 1.00 0.00 C ATOM 310 CG PRO A 24 -12.682 -8.455 -15.574 1.00 0.00 C ATOM 311 CD PRO A 24 -11.618 -7.649 -16.266 1.00 0.00 C ATOM 0 HA PRO A 24 -10.540 -7.596 -13.190 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -12.784 -9.191 -13.565 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -12.894 -7.447 -13.696 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -12.648 -9.498 -15.888 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -13.676 -8.081 -15.819 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -11.346 -8.084 -17.228 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -11.949 -6.629 -16.460 1.00 0.00 H new ATOM 319 N VAL A 25 -9.269 -9.632 -12.876 1.00 0.00 N ATOM 320 CA VAL A 25 -8.600 -10.881 -12.533 1.00 0.00 C ATOM 321 C VAL A 25 -9.303 -11.581 -11.375 1.00 0.00 C ATOM 322 O VAL A 25 -9.600 -10.964 -10.351 1.00 0.00 O ATOM 323 CB VAL A 25 -7.126 -10.643 -12.156 1.00 0.00 C ATOM 324 CG1 VAL A 25 -6.289 -10.401 -13.403 1.00 0.00 C ATOM 325 CG2 VAL A 25 -7.005 -9.476 -11.188 1.00 0.00 C ATOM 0 H VAL A 25 -8.901 -8.811 -12.396 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.643 -11.516 -13.418 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.747 -11.537 -11.660 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.250 -10.235 -13.117 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.351 -11.271 -14.057 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.665 -9.524 -13.929 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.957 -9.322 -10.933 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.401 -8.574 -11.654 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.571 -9.694 -10.282 1.00 0.00 H new ATOM 335 N LEU A 26 -9.565 -12.872 -11.542 1.00 0.00 N ATOM 336 CA LEU A 26 -10.233 -13.658 -10.510 1.00 0.00 C ATOM 337 C LEU A 26 -9.463 -14.943 -10.221 1.00 0.00 C ATOM 338 O LEU A 26 -9.217 -15.282 -9.064 1.00 0.00 O ATOM 339 CB LEU A 26 -11.662 -13.991 -10.940 1.00 0.00 C ATOM 340 CG LEU A 26 -12.501 -12.819 -11.448 1.00 0.00 C ATOM 341 CD1 LEU A 26 -13.541 -13.300 -12.449 1.00 0.00 C ATOM 342 CD2 LEU A 26 -13.170 -12.099 -10.286 1.00 0.00 C ATOM 0 H LEU A 26 -9.325 -13.398 -12.383 1.00 0.00 H new ATOM 0 HA LEU A 26 -10.265 -13.063 -9.598 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -11.617 -14.746 -11.725 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.179 -14.442 -10.093 1.00 0.00 H new ATOM 0 HG LEU A 26 -11.839 -12.116 -11.953 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -14.129 -12.451 -12.799 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -13.041 -13.770 -13.296 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -14.200 -14.024 -11.970 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -13.763 -11.267 -10.666 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -13.819 -12.794 -9.753 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -12.408 -11.720 -9.606 1.00 0.00 H new ATOM 354 N GLU A 27 -9.085 -15.651 -11.280 1.00 0.00 N ATOM 355 CA GLU A 27 -8.343 -16.898 -11.139 1.00 0.00 C ATOM 356 C GLU A 27 -6.888 -16.716 -11.563 1.00 0.00 C ATOM 357 O GLU A 27 -6.588 -15.945 -12.473 1.00 0.00 O ATOM 358 CB GLU A 27 -8.994 -18.003 -11.973 1.00 0.00 C ATOM 359 CG GLU A 27 -9.243 -17.608 -13.419 1.00 0.00 C ATOM 360 CD GLU A 27 -7.964 -17.519 -14.228 1.00 0.00 C ATOM 361 OE1 GLU A 27 -6.974 -18.179 -13.847 1.00 0.00 O ATOM 362 OE2 GLU A 27 -7.952 -16.790 -15.242 1.00 0.00 O ATOM 0 H GLU A 27 -9.280 -15.383 -12.245 1.00 0.00 H new ATOM 0 HA GLU A 27 -8.364 -17.186 -10.088 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.356 -18.887 -11.951 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -9.942 -18.283 -11.513 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -9.911 -18.336 -13.881 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -9.753 -16.645 -13.446 1.00 0.00 H new ATOM 369 N ASN A 28 -5.989 -17.431 -10.894 1.00 0.00 N ATOM 370 CA ASN A 28 -4.565 -17.348 -11.200 1.00 0.00 C ATOM 371 C ASN A 28 -4.120 -15.894 -11.326 1.00 0.00 C ATOM 372 O ASN A 28 -3.464 -15.517 -12.297 1.00 0.00 O ATOM 373 CB ASN A 28 -4.256 -18.102 -12.495 1.00 0.00 C ATOM 374 CG ASN A 28 -2.837 -18.634 -12.529 1.00 0.00 C ATOM 375 OD1 ASN A 28 -1.940 -18.086 -11.887 1.00 0.00 O ATOM 376 ND2 ASN A 28 -2.626 -19.709 -13.280 1.00 0.00 N ATOM 0 H ASN A 28 -6.221 -18.074 -10.137 1.00 0.00 H new ATOM 0 HA ASN A 28 -4.015 -17.808 -10.379 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -4.955 -18.931 -12.605 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -4.413 -17.438 -13.345 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -1.691 -20.113 -13.341 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -3.399 -20.131 -13.795 1.00 0.00 H new ATOM 383 N TYR A 29 -4.480 -15.083 -10.337 1.00 0.00 N ATOM 384 CA TYR A 29 -4.120 -13.670 -10.337 1.00 0.00 C ATOM 385 C TYR A 29 -3.084 -13.372 -9.258 1.00 0.00 C ATOM 386 O TYR A 29 -3.005 -14.071 -8.246 1.00 0.00 O ATOM 387 CB TYR A 29 -5.362 -12.805 -10.120 1.00 0.00 C ATOM 388 CG TYR A 29 -5.835 -12.775 -8.684 1.00 0.00 C ATOM 389 CD1 TYR A 29 -6.701 -13.747 -8.197 1.00 0.00 C ATOM 390 CD2 TYR A 29 -5.418 -11.774 -7.815 1.00 0.00 C ATOM 391 CE1 TYR A 29 -7.137 -13.723 -6.886 1.00 0.00 C ATOM 392 CE2 TYR A 29 -5.847 -11.743 -6.503 1.00 0.00 C ATOM 393 CZ TYR A 29 -6.707 -12.720 -6.043 1.00 0.00 C ATOM 394 OH TYR A 29 -7.138 -12.691 -4.736 1.00 0.00 O ATOM 0 H TYR A 29 -5.021 -15.380 -9.525 1.00 0.00 H new ATOM 0 HA TYR A 29 -3.686 -13.432 -11.308 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -5.147 -11.787 -10.444 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -6.169 -13.177 -10.752 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.039 -14.534 -8.854 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -4.747 -11.007 -8.172 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -7.811 -14.485 -6.524 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -5.512 -10.959 -5.840 1.00 0.00 H new ATOM 0 HH TYR A 29 -6.741 -11.921 -4.278 1.00 0.00 H new ATOM 404 N LEU A 30 -2.291 -12.330 -9.480 1.00 0.00 N ATOM 405 CA LEU A 30 -1.258 -11.937 -8.527 1.00 0.00 C ATOM 406 C LEU A 30 -1.650 -10.656 -7.798 1.00 0.00 C ATOM 407 O LEU A 30 -2.608 -9.982 -8.177 1.00 0.00 O ATOM 408 CB LEU A 30 0.078 -11.741 -9.245 1.00 0.00 C ATOM 409 CG LEU A 30 0.397 -12.743 -10.355 1.00 0.00 C ATOM 410 CD1 LEU A 30 -0.299 -12.346 -11.648 1.00 0.00 C ATOM 411 CD2 LEU A 30 1.901 -12.844 -10.566 1.00 0.00 C ATOM 0 H LEU A 30 -2.343 -11.742 -10.312 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.154 -12.735 -7.791 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.094 -10.738 -9.672 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.876 -11.784 -8.504 1.00 0.00 H new ATOM 0 HG LEU A 30 0.026 -13.722 -10.052 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.061 -13.070 -12.427 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.377 -12.325 -11.489 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.041 -11.357 -11.956 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.110 -13.562 -11.360 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.295 -11.867 -10.847 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.376 -13.175 -9.643 1.00 0.00 H new ATOM 423 N SER A 31 -0.901 -10.324 -6.751 1.00 0.00 N ATOM 424 CA SER A 31 -1.171 -9.124 -5.968 1.00 0.00 C ATOM 425 C SER A 31 0.117 -8.351 -5.697 1.00 0.00 C ATOM 426 O SER A 31 0.869 -8.679 -4.780 1.00 0.00 O ATOM 427 CB SER A 31 -1.845 -9.493 -4.646 1.00 0.00 C ATOM 428 OG SER A 31 -3.256 -9.503 -4.778 1.00 0.00 O ATOM 0 H SER A 31 -0.103 -10.869 -6.426 1.00 0.00 H new ATOM 0 HA SER A 31 -1.842 -8.487 -6.544 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.500 -10.474 -4.320 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.554 -8.780 -3.874 1.00 0.00 H new ATOM 0 HG SER A 31 -3.663 -9.743 -3.920 1.00 0.00 H new ATOM 434 N ALA A 32 0.363 -7.323 -6.502 1.00 0.00 N ATOM 435 CA ALA A 32 1.558 -6.502 -6.349 1.00 0.00 C ATOM 436 C ALA A 32 1.207 -5.018 -6.348 1.00 0.00 C ATOM 437 O ALA A 32 0.172 -4.615 -6.878 1.00 0.00 O ATOM 438 CB ALA A 32 2.555 -6.810 -7.456 1.00 0.00 C ATOM 0 H ALA A 32 -0.249 -7.039 -7.267 1.00 0.00 H new ATOM 0 HA ALA A 32 2.014 -6.742 -5.388 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.442 -6.190 -7.329 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.838 -7.862 -7.409 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.100 -6.599 -8.424 1.00 0.00 H new ATOM 444 N MET A 33 2.076 -4.210 -5.749 1.00 0.00 N ATOM 445 CA MET A 33 1.857 -2.770 -5.680 1.00 0.00 C ATOM 446 C MET A 33 0.441 -2.457 -5.206 1.00 0.00 C ATOM 447 O MET A 33 -0.240 -1.604 -5.776 1.00 0.00 O ATOM 448 CB MET A 33 2.103 -2.129 -7.047 1.00 0.00 C ATOM 449 CG MET A 33 3.483 -2.419 -7.615 1.00 0.00 C ATOM 450 SD MET A 33 3.590 -2.087 -9.384 1.00 0.00 S ATOM 451 CE MET A 33 5.286 -2.556 -9.715 1.00 0.00 C ATOM 0 H MET A 33 2.938 -4.528 -5.305 1.00 0.00 H new ATOM 0 HA MET A 33 2.562 -2.355 -4.960 1.00 0.00 H new ATOM 0 HB2 MET A 33 1.348 -2.486 -7.748 1.00 0.00 H new ATOM 0 HB3 MET A 33 1.974 -1.050 -6.962 1.00 0.00 H new ATOM 0 HG2 MET A 33 4.222 -1.814 -7.090 1.00 0.00 H new ATOM 0 HG3 MET A 33 3.736 -3.463 -7.429 1.00 0.00 H new ATOM 0 HE1 MET A 33 5.858 -1.674 -10.003 1.00 0.00 H new ATOM 0 HE2 MET A 33 5.724 -2.995 -8.818 1.00 0.00 H new ATOM 0 HE3 MET A 33 5.310 -3.285 -10.525 1.00 0.00 H new ATOM 461 N ASP A 34 0.005 -3.151 -4.161 1.00 0.00 N ATOM 462 CA ASP A 34 -1.329 -2.947 -3.610 1.00 0.00 C ATOM 463 C ASP A 34 -2.394 -3.116 -4.689 1.00 0.00 C ATOM 464 O ASP A 34 -3.489 -2.560 -4.589 1.00 0.00 O ATOM 465 CB ASP A 34 -1.438 -1.556 -2.982 1.00 0.00 C ATOM 466 CG ASP A 34 -2.593 -1.450 -2.006 1.00 0.00 C ATOM 467 OD1 ASP A 34 -2.406 -1.810 -0.825 1.00 0.00 O ATOM 468 OD2 ASP A 34 -3.684 -1.007 -2.424 1.00 0.00 O ATOM 0 H ASP A 34 0.556 -3.860 -3.678 1.00 0.00 H new ATOM 0 HA ASP A 34 -1.496 -3.699 -2.839 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -0.507 -1.320 -2.466 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -1.563 -0.814 -3.770 1.00 0.00 H new ATOM 473 N THR A 35 -2.067 -3.888 -5.721 1.00 0.00 N ATOM 474 CA THR A 35 -2.994 -4.129 -6.819 1.00 0.00 C ATOM 475 C THR A 35 -2.869 -5.556 -7.341 1.00 0.00 C ATOM 476 O THR A 35 -2.087 -6.351 -6.821 1.00 0.00 O ATOM 477 CB THR A 35 -2.755 -3.147 -7.982 1.00 0.00 C ATOM 478 OG1 THR A 35 -3.848 -3.203 -8.904 1.00 0.00 O ATOM 479 CG2 THR A 35 -1.457 -3.471 -8.706 1.00 0.00 C ATOM 0 H THR A 35 -1.167 -4.357 -5.819 1.00 0.00 H new ATOM 0 HA THR A 35 -3.998 -3.976 -6.424 1.00 0.00 H new ATOM 0 HB THR A 35 -2.681 -2.141 -7.569 1.00 0.00 H new ATOM 0 HG1 THR A 35 -3.689 -2.575 -9.639 1.00 0.00 H new ATOM 0 HG21 THR A 35 -1.310 -2.764 -9.523 1.00 0.00 H new ATOM 0 HG22 THR A 35 -0.623 -3.398 -8.008 1.00 0.00 H new ATOM 0 HG23 THR A 35 -1.507 -4.483 -9.107 1.00 0.00 H new ATOM 487 N VAL A 36 -3.645 -5.874 -8.372 1.00 0.00 N ATOM 488 CA VAL A 36 -3.620 -7.205 -8.965 1.00 0.00 C ATOM 489 C VAL A 36 -2.899 -7.195 -10.309 1.00 0.00 C ATOM 490 O VAL A 36 -2.719 -6.141 -10.920 1.00 0.00 O ATOM 491 CB VAL A 36 -5.044 -7.758 -9.163 1.00 0.00 C ATOM 492 CG1 VAL A 36 -5.776 -7.838 -7.832 1.00 0.00 C ATOM 493 CG2 VAL A 36 -5.815 -6.900 -10.155 1.00 0.00 C ATOM 0 H VAL A 36 -4.299 -5.228 -8.814 1.00 0.00 H new ATOM 0 HA VAL A 36 -3.081 -7.850 -8.272 1.00 0.00 H new ATOM 0 HB VAL A 36 -4.970 -8.766 -9.570 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -6.780 -8.231 -7.992 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -5.232 -8.498 -7.156 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -5.842 -6.843 -7.392 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -6.819 -7.305 -10.283 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -5.881 -5.879 -9.779 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.298 -6.900 -11.115 1.00 0.00 H new ATOM 503 N TRP A 37 -2.490 -8.374 -10.763 1.00 0.00 N ATOM 504 CA TRP A 37 -1.789 -8.500 -12.036 1.00 0.00 C ATOM 505 C TRP A 37 -2.078 -9.849 -12.685 1.00 0.00 C ATOM 506 O TRP A 37 -2.816 -10.668 -12.135 1.00 0.00 O ATOM 507 CB TRP A 37 -0.282 -8.332 -11.830 1.00 0.00 C ATOM 508 CG TRP A 37 0.096 -6.993 -11.274 1.00 0.00 C ATOM 509 CD1 TRP A 37 0.062 -6.611 -9.963 1.00 0.00 C ATOM 510 CD2 TRP A 37 0.563 -5.859 -12.013 1.00 0.00 C ATOM 511 NE1 TRP A 37 0.480 -5.307 -9.843 1.00 0.00 N ATOM 512 CE2 TRP A 37 0.793 -4.824 -11.085 1.00 0.00 C ATOM 513 CE3 TRP A 37 0.811 -5.618 -13.367 1.00 0.00 C ATOM 514 CZ2 TRP A 37 1.258 -3.569 -11.471 1.00 0.00 C ATOM 515 CZ3 TRP A 37 1.271 -4.372 -13.748 1.00 0.00 C ATOM 516 CH2 TRP A 37 1.492 -3.361 -12.803 1.00 0.00 C ATOM 0 H TRP A 37 -2.631 -9.255 -10.270 1.00 0.00 H new ATOM 0 HA TRP A 37 -2.148 -7.714 -12.700 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.074 -9.111 -11.156 1.00 0.00 H new ATOM 0 HB3 TRP A 37 0.226 -8.478 -12.783 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -0.248 -7.241 -9.142 1.00 0.00 H new ATOM 0 HE1 TRP A 37 0.546 -4.784 -8.970 1.00 0.00 H new ATOM 0 HE3 TRP A 37 0.646 -6.392 -14.102 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 1.428 -2.788 -10.745 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 1.464 -4.174 -14.792 1.00 0.00 H new ATOM 0 HH2 TRP A 37 1.854 -2.398 -13.133 1.00 0.00 H new ATOM 527 N HIS A 38 -1.494 -10.074 -13.858 1.00 0.00 N ATOM 528 CA HIS A 38 -1.690 -11.326 -14.581 1.00 0.00 C ATOM 529 C HIS A 38 -0.408 -12.154 -14.591 1.00 0.00 C ATOM 530 O HIS A 38 0.698 -11.628 -14.710 1.00 0.00 O ATOM 531 CB HIS A 38 -2.140 -11.045 -16.015 1.00 0.00 C ATOM 532 CG HIS A 38 -3.627 -10.973 -16.173 1.00 0.00 C ATOM 533 ND1 HIS A 38 -4.256 -10.037 -16.967 1.00 0.00 N ATOM 534 CD2 HIS A 38 -4.612 -11.728 -15.633 1.00 0.00 C ATOM 535 CE1 HIS A 38 -5.563 -10.219 -16.909 1.00 0.00 C ATOM 536 NE2 HIS A 38 -5.806 -11.240 -16.106 1.00 0.00 N ATOM 0 H HIS A 38 -0.882 -9.407 -14.328 1.00 0.00 H new ATOM 0 HA HIS A 38 -2.466 -11.896 -14.069 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -1.702 -10.104 -16.347 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -1.751 -11.826 -16.669 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -4.483 -12.560 -14.956 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -6.306 -9.633 -17.429 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -6.730 -11.606 -15.875 1.00 0.00 H new ATOM 544 N PRO A 39 -0.560 -13.480 -14.460 1.00 0.00 N ATOM 545 CA PRO A 39 0.575 -14.409 -14.451 1.00 0.00 C ATOM 546 C PRO A 39 1.244 -14.520 -15.816 1.00 0.00 C ATOM 547 O PRO A 39 2.100 -15.378 -16.029 1.00 0.00 O ATOM 548 CB PRO A 39 -0.063 -15.744 -14.057 1.00 0.00 C ATOM 549 CG PRO A 39 -1.485 -15.624 -14.485 1.00 0.00 C ATOM 550 CD PRO A 39 -1.849 -14.175 -14.313 1.00 0.00 C ATOM 0 HA PRO A 39 1.364 -14.082 -13.774 1.00 0.00 H new ATOM 0 HB2 PRO A 39 0.430 -16.580 -14.552 1.00 0.00 H new ATOM 0 HB3 PRO A 39 0.014 -15.918 -12.984 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -1.608 -15.937 -15.522 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -2.129 -16.263 -13.881 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.569 -13.850 -15.064 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -2.298 -13.987 -13.338 1.00 0.00 H new ATOM 558 N GLU A 40 0.849 -13.648 -16.737 1.00 0.00 N ATOM 559 CA GLU A 40 1.411 -13.650 -18.083 1.00 0.00 C ATOM 560 C GLU A 40 1.950 -12.270 -18.449 1.00 0.00 C ATOM 561 O GLU A 40 2.901 -12.147 -19.221 1.00 0.00 O ATOM 562 CB GLU A 40 0.355 -14.085 -19.101 1.00 0.00 C ATOM 563 CG GLU A 40 -0.848 -13.159 -19.162 1.00 0.00 C ATOM 564 CD GLU A 40 -1.832 -13.553 -20.247 1.00 0.00 C ATOM 565 OE1 GLU A 40 -1.663 -13.097 -21.396 1.00 0.00 O ATOM 566 OE2 GLU A 40 -2.772 -14.318 -19.945 1.00 0.00 O ATOM 0 H GLU A 40 0.142 -12.931 -16.576 1.00 0.00 H new ATOM 0 HA GLU A 40 2.237 -14.361 -18.103 1.00 0.00 H new ATOM 0 HB2 GLU A 40 0.814 -14.137 -20.088 1.00 0.00 H new ATOM 0 HB3 GLU A 40 0.017 -15.091 -18.854 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -1.355 -13.164 -18.197 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.508 -12.138 -19.338 1.00 0.00 H new ATOM 573 N CYS A 41 1.333 -11.233 -17.891 1.00 0.00 N ATOM 574 CA CYS A 41 1.748 -9.861 -18.159 1.00 0.00 C ATOM 575 C CYS A 41 2.812 -9.411 -17.162 1.00 0.00 C ATOM 576 O CYS A 41 3.861 -8.894 -17.548 1.00 0.00 O ATOM 577 CB CYS A 41 0.543 -8.921 -18.095 1.00 0.00 C ATOM 578 SG CYS A 41 -0.992 -9.632 -18.771 1.00 0.00 S ATOM 0 H CYS A 41 0.544 -11.317 -17.250 1.00 0.00 H new ATOM 0 HA CYS A 41 2.176 -9.825 -19.161 1.00 0.00 H new ATOM 0 HB2 CYS A 41 0.372 -8.637 -17.057 1.00 0.00 H new ATOM 0 HB3 CYS A 41 0.779 -8.008 -18.641 1.00 0.00 H new ATOM 583 N PHE A 42 2.534 -9.610 -15.878 1.00 0.00 N ATOM 584 CA PHE A 42 3.466 -9.223 -14.825 1.00 0.00 C ATOM 585 C PHE A 42 4.897 -9.599 -15.200 1.00 0.00 C ATOM 586 O PHE A 42 5.321 -10.739 -15.008 1.00 0.00 O ATOM 587 CB PHE A 42 3.081 -9.891 -13.503 1.00 0.00 C ATOM 588 CG PHE A 42 3.533 -9.126 -12.292 1.00 0.00 C ATOM 589 CD1 PHE A 42 3.217 -7.785 -12.145 1.00 0.00 C ATOM 590 CD2 PHE A 42 4.272 -9.749 -11.299 1.00 0.00 C ATOM 591 CE1 PHE A 42 3.632 -7.079 -11.032 1.00 0.00 C ATOM 592 CE2 PHE A 42 4.689 -9.049 -10.183 1.00 0.00 C ATOM 593 CZ PHE A 42 4.368 -7.712 -10.049 1.00 0.00 C ATOM 0 H PHE A 42 1.671 -10.037 -15.541 1.00 0.00 H new ATOM 0 HA PHE A 42 3.412 -8.141 -14.706 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.998 -10.008 -13.466 1.00 0.00 H new ATOM 0 HB3 PHE A 42 3.511 -10.892 -13.472 1.00 0.00 H new ATOM 0 HD1 PHE A 42 2.640 -7.286 -12.909 1.00 0.00 H new ATOM 0 HD2 PHE A 42 4.525 -10.794 -11.399 1.00 0.00 H new ATOM 0 HE1 PHE A 42 3.381 -6.033 -10.931 1.00 0.00 H new ATOM 0 HE2 PHE A 42 5.265 -9.546 -9.417 1.00 0.00 H new ATOM 0 HZ PHE A 42 4.692 -7.163 -9.177 1.00 0.00 H new ATOM 603 N VAL A 43 5.635 -8.633 -15.737 1.00 0.00 N ATOM 604 CA VAL A 43 7.018 -8.861 -16.139 1.00 0.00 C ATOM 605 C VAL A 43 7.796 -7.552 -16.198 1.00 0.00 C ATOM 606 O VAL A 43 7.212 -6.473 -16.300 1.00 0.00 O ATOM 607 CB VAL A 43 7.096 -9.555 -17.512 1.00 0.00 C ATOM 608 CG1 VAL A 43 6.398 -10.906 -17.468 1.00 0.00 C ATOM 609 CG2 VAL A 43 6.493 -8.668 -18.591 1.00 0.00 C ATOM 0 H VAL A 43 5.298 -7.685 -15.904 1.00 0.00 H new ATOM 0 HA VAL A 43 7.464 -9.511 -15.386 1.00 0.00 H new ATOM 0 HB VAL A 43 8.145 -9.723 -17.756 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.463 -11.381 -18.447 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.879 -11.540 -16.724 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.350 -10.766 -17.202 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.556 -9.173 -19.555 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.448 -8.467 -18.355 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.042 -7.728 -18.638 1.00 0.00 H new ATOM 619 N CYS A 44 9.120 -7.653 -16.133 1.00 0.00 N ATOM 620 CA CYS A 44 9.981 -6.478 -16.179 1.00 0.00 C ATOM 621 C CYS A 44 9.572 -5.549 -17.319 1.00 0.00 C ATOM 622 O CYS A 44 8.779 -5.921 -18.183 1.00 0.00 O ATOM 623 CB CYS A 44 11.442 -6.896 -16.347 1.00 0.00 C ATOM 624 SG CYS A 44 12.641 -5.571 -15.992 1.00 0.00 S ATOM 0 H CYS A 44 9.620 -8.538 -16.048 1.00 0.00 H new ATOM 0 HA CYS A 44 9.870 -5.940 -15.237 1.00 0.00 H new ATOM 0 HB2 CYS A 44 11.645 -7.741 -15.689 1.00 0.00 H new ATOM 0 HB3 CYS A 44 11.594 -7.244 -17.369 1.00 0.00 H new ATOM 629 N GLY A 45 10.120 -4.337 -17.313 1.00 0.00 N ATOM 630 CA GLY A 45 9.801 -3.374 -18.350 1.00 0.00 C ATOM 631 C GLY A 45 10.871 -3.299 -19.421 1.00 0.00 C ATOM 632 O GLY A 45 10.571 -3.068 -20.593 1.00 0.00 O ATOM 0 H GLY A 45 10.779 -4.006 -16.608 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.850 -3.642 -18.810 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.672 -2.390 -17.900 1.00 0.00 H new ATOM 636 N ASP A 46 12.122 -3.495 -19.020 1.00 0.00 N ATOM 637 CA ASP A 46 13.241 -3.448 -19.954 1.00 0.00 C ATOM 638 C ASP A 46 13.483 -4.818 -20.580 1.00 0.00 C ATOM 639 O ASP A 46 13.323 -4.998 -21.788 1.00 0.00 O ATOM 640 CB ASP A 46 14.507 -2.968 -19.243 1.00 0.00 C ATOM 641 CG ASP A 46 14.614 -1.456 -19.211 1.00 0.00 C ATOM 642 OD1 ASP A 46 13.684 -0.805 -18.689 1.00 0.00 O ATOM 643 OD2 ASP A 46 15.628 -0.923 -19.707 1.00 0.00 O ATOM 0 H ASP A 46 12.387 -3.688 -18.054 1.00 0.00 H new ATOM 0 HA ASP A 46 12.991 -2.744 -20.748 1.00 0.00 H new ATOM 0 HB2 ASP A 46 14.515 -3.352 -18.223 1.00 0.00 H new ATOM 0 HB3 ASP A 46 15.382 -3.381 -19.746 1.00 0.00 H new ATOM 648 N CYS A 47 13.872 -5.781 -19.752 1.00 0.00 N ATOM 649 CA CYS A 47 14.139 -7.135 -20.223 1.00 0.00 C ATOM 650 C CYS A 47 12.839 -7.915 -20.401 1.00 0.00 C ATOM 651 O CYS A 47 12.789 -8.897 -21.142 1.00 0.00 O ATOM 652 CB CYS A 47 15.056 -7.868 -19.242 1.00 0.00 C ATOM 653 SG CYS A 47 14.323 -8.132 -17.595 1.00 0.00 S ATOM 0 H CYS A 47 14.010 -5.649 -18.750 1.00 0.00 H new ATOM 0 HA CYS A 47 14.636 -7.065 -21.191 1.00 0.00 H new ATOM 0 HB2 CYS A 47 15.326 -8.835 -19.667 1.00 0.00 H new ATOM 0 HB3 CYS A 47 15.979 -7.300 -19.130 1.00 0.00 H new ATOM 658 N PHE A 48 11.790 -7.470 -19.718 1.00 0.00 N ATOM 659 CA PHE A 48 10.490 -8.125 -19.800 1.00 0.00 C ATOM 660 C PHE A 48 10.594 -9.591 -19.387 1.00 0.00 C ATOM 661 O PHE A 48 10.146 -10.484 -20.107 1.00 0.00 O ATOM 662 CB PHE A 48 9.932 -8.022 -21.220 1.00 0.00 C ATOM 663 CG PHE A 48 9.588 -6.618 -21.628 1.00 0.00 C ATOM 664 CD1 PHE A 48 8.517 -5.957 -21.050 1.00 0.00 C ATOM 665 CD2 PHE A 48 10.337 -5.959 -22.590 1.00 0.00 C ATOM 666 CE1 PHE A 48 8.198 -4.665 -21.424 1.00 0.00 C ATOM 667 CE2 PHE A 48 10.023 -4.667 -22.968 1.00 0.00 C ATOM 668 CZ PHE A 48 8.953 -4.019 -22.384 1.00 0.00 C ATOM 0 H PHE A 48 11.815 -6.658 -19.101 1.00 0.00 H new ATOM 0 HA PHE A 48 9.811 -7.619 -19.113 1.00 0.00 H new ATOM 0 HB2 PHE A 48 10.664 -8.426 -21.920 1.00 0.00 H new ATOM 0 HB3 PHE A 48 9.040 -8.643 -21.297 1.00 0.00 H new ATOM 0 HD1 PHE A 48 7.924 -6.457 -20.298 1.00 0.00 H new ATOM 0 HD2 PHE A 48 11.176 -6.461 -23.050 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.360 -4.161 -20.966 1.00 0.00 H new ATOM 0 HE2 PHE A 48 10.614 -4.165 -23.720 1.00 0.00 H new ATOM 0 HZ PHE A 48 8.707 -3.009 -22.677 1.00 0.00 H new ATOM 678 N THR A 49 11.188 -9.831 -18.223 1.00 0.00 N ATOM 679 CA THR A 49 11.353 -11.187 -17.714 1.00 0.00 C ATOM 680 C THR A 49 10.248 -11.542 -16.726 1.00 0.00 C ATOM 681 O THR A 49 9.665 -10.663 -16.091 1.00 0.00 O ATOM 682 CB THR A 49 12.719 -11.367 -17.025 1.00 0.00 C ATOM 683 OG1 THR A 49 12.991 -12.760 -16.832 1.00 0.00 O ATOM 684 CG2 THR A 49 12.748 -10.649 -15.685 1.00 0.00 C ATOM 0 H THR A 49 11.563 -9.104 -17.614 1.00 0.00 H new ATOM 0 HA THR A 49 11.297 -11.855 -18.573 1.00 0.00 H new ATOM 0 HB THR A 49 13.485 -10.934 -17.668 1.00 0.00 H new ATOM 0 HG1 THR A 49 13.862 -12.866 -16.395 1.00 0.00 H new ATOM 0 HG21 THR A 49 13.722 -10.790 -15.217 1.00 0.00 H new ATOM 0 HG22 THR A 49 12.570 -9.585 -15.839 1.00 0.00 H new ATOM 0 HG23 THR A 49 11.972 -11.057 -15.037 1.00 0.00 H new ATOM 692 N SER A 50 9.965 -12.834 -16.600 1.00 0.00 N ATOM 693 CA SER A 50 8.927 -13.305 -15.691 1.00 0.00 C ATOM 694 C SER A 50 9.480 -13.482 -14.280 1.00 0.00 C ATOM 695 O SER A 50 10.624 -13.901 -14.097 1.00 0.00 O ATOM 696 CB SER A 50 8.341 -14.627 -16.191 1.00 0.00 C ATOM 697 OG SER A 50 7.296 -15.074 -15.345 1.00 0.00 O ATOM 0 H SER A 50 10.440 -13.574 -17.116 1.00 0.00 H new ATOM 0 HA SER A 50 8.137 -12.554 -15.662 1.00 0.00 H new ATOM 0 HB2 SER A 50 7.963 -14.500 -17.205 1.00 0.00 H new ATOM 0 HB3 SER A 50 9.125 -15.382 -16.235 1.00 0.00 H new ATOM 0 HG SER A 50 6.937 -15.919 -15.687 1.00 0.00 H new ATOM 703 N PHE A 51 8.660 -13.161 -13.285 1.00 0.00 N ATOM 704 CA PHE A 51 9.066 -13.284 -11.890 1.00 0.00 C ATOM 705 C PHE A 51 8.357 -14.456 -11.218 1.00 0.00 C ATOM 706 O PHE A 51 7.435 -14.265 -10.424 1.00 0.00 O ATOM 707 CB PHE A 51 8.764 -11.989 -11.133 1.00 0.00 C ATOM 708 CG PHE A 51 9.162 -10.750 -11.883 1.00 0.00 C ATOM 709 CD1 PHE A 51 10.476 -10.309 -11.873 1.00 0.00 C ATOM 710 CD2 PHE A 51 8.222 -10.025 -12.598 1.00 0.00 C ATOM 711 CE1 PHE A 51 10.845 -9.169 -12.562 1.00 0.00 C ATOM 712 CE2 PHE A 51 8.586 -8.885 -13.290 1.00 0.00 C ATOM 713 CZ PHE A 51 9.898 -8.456 -13.271 1.00 0.00 C ATOM 0 H PHE A 51 7.710 -12.814 -13.419 1.00 0.00 H new ATOM 0 HA PHE A 51 10.140 -13.470 -11.865 1.00 0.00 H new ATOM 0 HB2 PHE A 51 7.697 -11.945 -10.915 1.00 0.00 H new ATOM 0 HB3 PHE A 51 9.284 -12.007 -10.175 1.00 0.00 H new ATOM 0 HD1 PHE A 51 11.220 -10.863 -11.320 1.00 0.00 H new ATOM 0 HD2 PHE A 51 7.194 -10.354 -12.615 1.00 0.00 H new ATOM 0 HE1 PHE A 51 11.872 -8.836 -12.546 1.00 0.00 H new ATOM 0 HE2 PHE A 51 7.844 -8.330 -13.845 1.00 0.00 H new ATOM 0 HZ PHE A 51 10.183 -7.564 -13.810 1.00 0.00 H new ATOM 723 N SER A 52 8.793 -15.669 -11.542 1.00 0.00 N ATOM 724 CA SER A 52 8.198 -16.873 -10.974 1.00 0.00 C ATOM 725 C SER A 52 8.920 -17.284 -9.695 1.00 0.00 C ATOM 726 O SER A 52 8.289 -17.635 -8.696 1.00 0.00 O ATOM 727 CB SER A 52 8.242 -18.017 -11.989 1.00 0.00 C ATOM 728 OG SER A 52 7.499 -19.133 -11.531 1.00 0.00 O ATOM 0 H SER A 52 9.557 -15.844 -12.195 1.00 0.00 H new ATOM 0 HA SER A 52 7.159 -16.654 -10.729 1.00 0.00 H new ATOM 0 HB2 SER A 52 7.841 -17.676 -12.944 1.00 0.00 H new ATOM 0 HB3 SER A 52 9.276 -18.312 -12.165 1.00 0.00 H new ATOM 0 HG SER A 52 7.541 -19.850 -12.198 1.00 0.00 H new ATOM 734 N THR A 53 10.248 -17.238 -9.731 1.00 0.00 N ATOM 735 CA THR A 53 11.058 -17.607 -8.577 1.00 0.00 C ATOM 736 C THR A 53 11.829 -16.406 -8.041 1.00 0.00 C ATOM 737 O THR A 53 12.612 -15.787 -8.761 1.00 0.00 O ATOM 738 CB THR A 53 12.053 -18.729 -8.924 1.00 0.00 C ATOM 739 OG1 THR A 53 12.844 -18.350 -10.056 1.00 0.00 O ATOM 740 CG2 THR A 53 11.321 -20.029 -9.223 1.00 0.00 C ATOM 0 H THR A 53 10.786 -16.948 -10.548 1.00 0.00 H new ATOM 0 HA THR A 53 10.371 -17.966 -7.811 1.00 0.00 H new ATOM 0 HB THR A 53 12.703 -18.886 -8.063 1.00 0.00 H new ATOM 0 HG1 THR A 53 13.087 -17.403 -9.983 1.00 0.00 H new ATOM 0 HG21 THR A 53 12.045 -20.807 -9.465 1.00 0.00 H new ATOM 0 HG22 THR A 53 10.743 -20.331 -8.349 1.00 0.00 H new ATOM 0 HG23 THR A 53 10.649 -19.882 -10.069 1.00 0.00 H new ATOM 748 N GLY A 54 11.604 -16.082 -6.771 1.00 0.00 N ATOM 749 CA GLY A 54 12.287 -14.957 -6.160 1.00 0.00 C ATOM 750 C GLY A 54 11.324 -13.916 -5.625 1.00 0.00 C ATOM 751 O GLY A 54 10.562 -14.184 -4.696 1.00 0.00 O ATOM 0 H GLY A 54 10.961 -16.579 -6.155 1.00 0.00 H new ATOM 0 HA2 GLY A 54 12.917 -15.317 -5.347 1.00 0.00 H new ATOM 0 HA3 GLY A 54 12.947 -14.494 -6.894 1.00 0.00 H new ATOM 755 N SER A 55 11.359 -12.723 -6.210 1.00 0.00 N ATOM 756 CA SER A 55 10.487 -11.636 -5.783 1.00 0.00 C ATOM 757 C SER A 55 10.532 -10.480 -6.777 1.00 0.00 C ATOM 758 O SER A 55 11.443 -10.390 -7.601 1.00 0.00 O ATOM 759 CB SER A 55 10.893 -11.144 -4.392 1.00 0.00 C ATOM 760 OG SER A 55 12.281 -10.863 -4.336 1.00 0.00 O ATOM 0 H SER A 55 11.982 -12.485 -6.981 1.00 0.00 H new ATOM 0 HA SER A 55 9.467 -12.017 -5.742 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.327 -10.247 -4.140 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.641 -11.899 -3.648 1.00 0.00 H new ATOM 0 HG SER A 55 12.442 -9.947 -4.646 1.00 0.00 H new ATOM 766 N PHE A 56 9.543 -9.596 -6.694 1.00 0.00 N ATOM 767 CA PHE A 56 9.468 -8.445 -7.586 1.00 0.00 C ATOM 768 C PHE A 56 9.892 -7.169 -6.865 1.00 0.00 C ATOM 769 O PHE A 56 9.958 -7.130 -5.636 1.00 0.00 O ATOM 770 CB PHE A 56 8.048 -8.288 -8.132 1.00 0.00 C ATOM 771 CG PHE A 56 7.155 -7.462 -7.251 1.00 0.00 C ATOM 772 CD1 PHE A 56 6.404 -8.057 -6.250 1.00 0.00 C ATOM 773 CD2 PHE A 56 7.066 -6.090 -7.425 1.00 0.00 C ATOM 774 CE1 PHE A 56 5.582 -7.299 -5.438 1.00 0.00 C ATOM 775 CE2 PHE A 56 6.246 -5.327 -6.615 1.00 0.00 C ATOM 776 CZ PHE A 56 5.502 -5.933 -5.621 1.00 0.00 C ATOM 0 H PHE A 56 8.782 -9.655 -6.017 1.00 0.00 H new ATOM 0 HA PHE A 56 10.152 -8.616 -8.417 1.00 0.00 H new ATOM 0 HB2 PHE A 56 8.096 -7.829 -9.120 1.00 0.00 H new ATOM 0 HB3 PHE A 56 7.605 -9.276 -8.260 1.00 0.00 H new ATOM 0 HD1 PHE A 56 6.462 -9.125 -6.103 1.00 0.00 H new ATOM 0 HD2 PHE A 56 7.644 -5.612 -8.202 1.00 0.00 H new ATOM 0 HE1 PHE A 56 5.003 -7.775 -4.661 1.00 0.00 H new ATOM 0 HE2 PHE A 56 6.187 -4.258 -6.759 1.00 0.00 H new ATOM 0 HZ PHE A 56 4.859 -5.339 -4.988 1.00 0.00 H new ATOM 786 N PHE A 57 10.180 -6.128 -7.638 1.00 0.00 N ATOM 787 CA PHE A 57 10.599 -4.850 -7.074 1.00 0.00 C ATOM 788 C PHE A 57 9.839 -3.695 -7.720 1.00 0.00 C ATOM 789 O PHE A 57 9.869 -3.523 -8.938 1.00 0.00 O ATOM 790 CB PHE A 57 12.105 -4.654 -7.264 1.00 0.00 C ATOM 791 CG PHE A 57 12.920 -5.848 -6.859 1.00 0.00 C ATOM 792 CD1 PHE A 57 12.644 -6.526 -5.683 1.00 0.00 C ATOM 793 CD2 PHE A 57 13.964 -6.293 -7.655 1.00 0.00 C ATOM 794 CE1 PHE A 57 13.392 -7.625 -5.307 1.00 0.00 C ATOM 795 CE2 PHE A 57 14.715 -7.392 -7.285 1.00 0.00 C ATOM 796 CZ PHE A 57 14.430 -8.059 -6.109 1.00 0.00 C ATOM 0 H PHE A 57 10.131 -6.144 -8.657 1.00 0.00 H new ATOM 0 HA PHE A 57 10.372 -4.860 -6.008 1.00 0.00 H new ATOM 0 HB2 PHE A 57 12.304 -4.426 -8.311 1.00 0.00 H new ATOM 0 HB3 PHE A 57 12.427 -3.790 -6.683 1.00 0.00 H new ATOM 0 HD1 PHE A 57 11.834 -6.191 -5.052 1.00 0.00 H new ATOM 0 HD2 PHE A 57 14.193 -5.775 -8.575 1.00 0.00 H new ATOM 0 HE1 PHE A 57 13.166 -8.144 -4.387 1.00 0.00 H new ATOM 0 HE2 PHE A 57 15.525 -7.730 -7.915 1.00 0.00 H new ATOM 0 HZ PHE A 57 15.017 -8.917 -5.817 1.00 0.00 H new ATOM 806 N GLU A 58 9.159 -2.906 -6.894 1.00 0.00 N ATOM 807 CA GLU A 58 8.390 -1.769 -7.384 1.00 0.00 C ATOM 808 C GLU A 58 9.275 -0.534 -7.525 1.00 0.00 C ATOM 809 O GLU A 58 9.677 0.073 -6.532 1.00 0.00 O ATOM 810 CB GLU A 58 7.223 -1.468 -6.440 1.00 0.00 C ATOM 811 CG GLU A 58 6.368 -0.294 -6.885 1.00 0.00 C ATOM 812 CD GLU A 58 5.464 0.220 -5.781 1.00 0.00 C ATOM 813 OE1 GLU A 58 5.831 0.074 -4.597 1.00 0.00 O ATOM 814 OE2 GLU A 58 4.390 0.771 -6.103 1.00 0.00 O ATOM 0 H GLU A 58 9.125 -3.034 -5.883 1.00 0.00 H new ATOM 0 HA GLU A 58 7.996 -2.027 -8.367 1.00 0.00 H new ATOM 0 HB2 GLU A 58 6.594 -2.355 -6.359 1.00 0.00 H new ATOM 0 HB3 GLU A 58 7.616 -1.264 -5.444 1.00 0.00 H new ATOM 0 HG2 GLU A 58 7.016 0.514 -7.225 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.759 -0.595 -7.738 1.00 0.00 H new ATOM 821 N LEU A 59 9.575 -0.168 -8.767 1.00 0.00 N ATOM 822 CA LEU A 59 10.414 0.995 -9.040 1.00 0.00 C ATOM 823 C LEU A 59 9.698 1.978 -9.960 1.00 0.00 C ATOM 824 O LEU A 59 9.600 1.755 -11.167 1.00 0.00 O ATOM 825 CB LEU A 59 11.736 0.557 -9.672 1.00 0.00 C ATOM 826 CG LEU A 59 12.879 1.571 -9.607 1.00 0.00 C ATOM 827 CD1 LEU A 59 14.216 0.860 -9.461 1.00 0.00 C ATOM 828 CD2 LEU A 59 12.877 2.457 -10.843 1.00 0.00 C ATOM 0 H LEU A 59 9.250 -0.659 -9.600 1.00 0.00 H new ATOM 0 HA LEU A 59 10.619 1.495 -8.094 1.00 0.00 H new ATOM 0 HB2 LEU A 59 12.063 -0.361 -9.183 1.00 0.00 H new ATOM 0 HB3 LEU A 59 11.552 0.313 -10.718 1.00 0.00 H new ATOM 0 HG LEU A 59 12.729 2.203 -8.731 1.00 0.00 H new ATOM 0 HD11 LEU A 59 15.017 1.598 -9.416 1.00 0.00 H new ATOM 0 HD12 LEU A 59 14.216 0.269 -8.545 1.00 0.00 H new ATOM 0 HD13 LEU A 59 14.374 0.204 -10.317 1.00 0.00 H new ATOM 0 HD21 LEU A 59 13.697 3.172 -10.779 1.00 0.00 H new ATOM 0 HD22 LEU A 59 13.002 1.840 -11.733 1.00 0.00 H new ATOM 0 HD23 LEU A 59 11.931 2.994 -10.904 1.00 0.00 H new ATOM 840 N ASP A 60 9.202 3.067 -9.383 1.00 0.00 N ATOM 841 CA ASP A 60 8.498 4.086 -10.152 1.00 0.00 C ATOM 842 C ASP A 60 7.166 3.553 -10.670 1.00 0.00 C ATOM 843 O ASP A 60 6.766 3.843 -11.797 1.00 0.00 O ATOM 844 CB ASP A 60 9.362 4.561 -11.321 1.00 0.00 C ATOM 845 CG ASP A 60 8.770 5.765 -12.027 1.00 0.00 C ATOM 846 OD1 ASP A 60 8.074 6.560 -11.362 1.00 0.00 O ATOM 847 OD2 ASP A 60 9.005 5.913 -13.244 1.00 0.00 O ATOM 0 H ASP A 60 9.275 3.267 -8.385 1.00 0.00 H new ATOM 0 HA ASP A 60 8.298 4.930 -9.492 1.00 0.00 H new ATOM 0 HB2 ASP A 60 10.358 4.811 -10.955 1.00 0.00 H new ATOM 0 HB3 ASP A 60 9.481 3.747 -12.036 1.00 0.00 H new ATOM 852 N GLY A 61 6.483 2.771 -9.840 1.00 0.00 N ATOM 853 CA GLY A 61 5.205 2.209 -10.233 1.00 0.00 C ATOM 854 C GLY A 61 5.316 1.304 -11.444 1.00 0.00 C ATOM 855 O GLY A 61 4.401 1.239 -12.264 1.00 0.00 O ATOM 0 H GLY A 61 6.792 2.517 -8.902 1.00 0.00 H new ATOM 0 HA2 GLY A 61 4.788 1.645 -9.399 1.00 0.00 H new ATOM 0 HA3 GLY A 61 4.508 3.018 -10.451 1.00 0.00 H new ATOM 859 N ARG A 62 6.442 0.607 -11.558 1.00 0.00 N ATOM 860 CA ARG A 62 6.671 -0.295 -12.680 1.00 0.00 C ATOM 861 C ARG A 62 7.470 -1.519 -12.239 1.00 0.00 C ATOM 862 O ARG A 62 8.527 -1.410 -11.618 1.00 0.00 O ATOM 863 CB ARG A 62 7.411 0.432 -13.804 1.00 0.00 C ATOM 864 CG ARG A 62 6.491 1.182 -14.752 1.00 0.00 C ATOM 865 CD ARG A 62 7.158 1.429 -16.097 1.00 0.00 C ATOM 866 NE ARG A 62 7.054 0.270 -16.980 1.00 0.00 N ATOM 867 CZ ARG A 62 7.903 0.023 -17.971 1.00 0.00 C ATOM 868 NH1 ARG A 62 8.914 0.849 -18.204 1.00 0.00 N ATOM 869 NH2 ARG A 62 7.742 -1.052 -18.732 1.00 0.00 N ATOM 0 H ARG A 62 7.209 0.650 -10.887 1.00 0.00 H new ATOM 0 HA ARG A 62 5.701 -0.629 -13.049 1.00 0.00 H new ATOM 0 HB2 ARG A 62 8.119 1.135 -13.366 1.00 0.00 H new ATOM 0 HB3 ARG A 62 7.993 -0.293 -14.373 1.00 0.00 H new ATOM 0 HG2 ARG A 62 5.574 0.611 -14.899 1.00 0.00 H new ATOM 0 HG3 ARG A 62 6.205 2.135 -14.306 1.00 0.00 H new ATOM 0 HD2 ARG A 62 6.698 2.293 -16.577 1.00 0.00 H new ATOM 0 HD3 ARG A 62 8.209 1.673 -15.941 1.00 0.00 H new ATOM 0 HE ARG A 62 6.288 -0.385 -16.827 1.00 0.00 H new ATOM 0 HH11 ARG A 62 9.041 1.677 -17.621 1.00 0.00 H new ATOM 0 HH12 ARG A 62 9.564 0.657 -18.966 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.966 -1.690 -18.556 1.00 0.00 H new ATOM 0 HH22 ARG A 62 8.395 -1.241 -19.493 1.00 0.00 H new ATOM 883 N PRO A 63 6.953 -2.712 -12.566 1.00 0.00 N ATOM 884 CA PRO A 63 7.601 -3.979 -12.213 1.00 0.00 C ATOM 885 C PRO A 63 8.887 -4.211 -13.000 1.00 0.00 C ATOM 886 O PRO A 63 8.869 -4.294 -14.228 1.00 0.00 O ATOM 887 CB PRO A 63 6.552 -5.030 -12.584 1.00 0.00 C ATOM 888 CG PRO A 63 5.724 -4.383 -13.641 1.00 0.00 C ATOM 889 CD PRO A 63 5.696 -2.917 -13.305 1.00 0.00 C ATOM 0 HA PRO A 63 7.899 -4.006 -11.165 1.00 0.00 H new ATOM 0 HB2 PRO A 63 7.020 -5.943 -12.951 1.00 0.00 H new ATOM 0 HB3 PRO A 63 5.946 -5.307 -11.721 1.00 0.00 H new ATOM 0 HG2 PRO A 63 6.153 -4.549 -14.629 1.00 0.00 H new ATOM 0 HG3 PRO A 63 4.717 -4.799 -13.657 1.00 0.00 H new ATOM 0 HD2 PRO A 63 5.652 -2.300 -14.202 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.827 -2.660 -12.699 1.00 0.00 H new ATOM 897 N PHE A 64 10.002 -4.314 -12.285 1.00 0.00 N ATOM 898 CA PHE A 64 11.298 -4.536 -12.916 1.00 0.00 C ATOM 899 C PHE A 64 11.992 -5.757 -12.319 1.00 0.00 C ATOM 900 O PHE A 64 11.493 -6.369 -11.375 1.00 0.00 O ATOM 901 CB PHE A 64 12.186 -3.300 -12.755 1.00 0.00 C ATOM 902 CG PHE A 64 11.749 -2.135 -13.596 1.00 0.00 C ATOM 903 CD1 PHE A 64 12.010 -2.109 -14.956 1.00 0.00 C ATOM 904 CD2 PHE A 64 11.078 -1.065 -13.026 1.00 0.00 C ATOM 905 CE1 PHE A 64 11.610 -1.038 -15.733 1.00 0.00 C ATOM 906 CE2 PHE A 64 10.675 0.008 -13.798 1.00 0.00 C ATOM 907 CZ PHE A 64 10.942 0.022 -15.153 1.00 0.00 C ATOM 0 H PHE A 64 10.034 -4.247 -11.268 1.00 0.00 H new ATOM 0 HA PHE A 64 11.131 -4.719 -13.978 1.00 0.00 H new ATOM 0 HB2 PHE A 64 12.191 -3.000 -11.707 1.00 0.00 H new ATOM 0 HB3 PHE A 64 13.211 -3.562 -13.016 1.00 0.00 H new ATOM 0 HD1 PHE A 64 12.532 -2.935 -15.415 1.00 0.00 H new ATOM 0 HD2 PHE A 64 10.868 -1.070 -11.967 1.00 0.00 H new ATOM 0 HE1 PHE A 64 11.820 -1.030 -16.792 1.00 0.00 H new ATOM 0 HE2 PHE A 64 10.151 0.835 -13.342 1.00 0.00 H new ATOM 0 HZ PHE A 64 10.629 0.860 -15.758 1.00 0.00 H new ATOM 917 N CYS A 65 13.147 -6.104 -12.877 1.00 0.00 N ATOM 918 CA CYS A 65 13.911 -7.252 -12.402 1.00 0.00 C ATOM 919 C CYS A 65 15.214 -6.803 -11.746 1.00 0.00 C ATOM 920 O CYS A 65 15.872 -5.877 -12.219 1.00 0.00 O ATOM 921 CB CYS A 65 14.212 -8.205 -13.560 1.00 0.00 C ATOM 922 SG CYS A 65 15.537 -7.631 -14.671 1.00 0.00 S ATOM 0 H CYS A 65 13.574 -5.607 -13.658 1.00 0.00 H new ATOM 0 HA CYS A 65 13.310 -7.775 -11.657 1.00 0.00 H new ATOM 0 HB2 CYS A 65 14.489 -9.177 -13.153 1.00 0.00 H new ATOM 0 HB3 CYS A 65 13.302 -8.351 -14.142 1.00 0.00 H new ATOM 927 N GLU A 66 15.580 -7.468 -10.654 1.00 0.00 N ATOM 928 CA GLU A 66 16.803 -7.137 -9.933 1.00 0.00 C ATOM 929 C GLU A 66 17.841 -6.529 -10.873 1.00 0.00 C ATOM 930 O GLU A 66 18.353 -5.436 -10.626 1.00 0.00 O ATOM 931 CB GLU A 66 17.378 -8.385 -9.261 1.00 0.00 C ATOM 932 CG GLU A 66 18.117 -8.093 -7.965 1.00 0.00 C ATOM 933 CD GLU A 66 18.730 -9.336 -7.350 1.00 0.00 C ATOM 934 OE1 GLU A 66 18.041 -10.377 -7.302 1.00 0.00 O ATOM 935 OE2 GLU A 66 19.899 -9.268 -6.916 1.00 0.00 O ATOM 0 H GLU A 66 15.047 -8.238 -10.250 1.00 0.00 H new ATOM 0 HA GLU A 66 16.556 -6.402 -9.168 1.00 0.00 H new ATOM 0 HB2 GLU A 66 16.567 -9.084 -9.057 1.00 0.00 H new ATOM 0 HB3 GLU A 66 18.059 -8.880 -9.954 1.00 0.00 H new ATOM 0 HG2 GLU A 66 18.902 -7.362 -8.156 1.00 0.00 H new ATOM 0 HG3 GLU A 66 17.427 -7.642 -7.252 1.00 0.00 H new ATOM 942 N LEU A 67 18.145 -7.243 -11.950 1.00 0.00 N ATOM 943 CA LEU A 67 19.122 -6.775 -12.928 1.00 0.00 C ATOM 944 C LEU A 67 18.955 -5.282 -13.192 1.00 0.00 C ATOM 945 O LEU A 67 19.837 -4.483 -12.879 1.00 0.00 O ATOM 946 CB LEU A 67 18.979 -7.556 -14.235 1.00 0.00 C ATOM 947 CG LEU A 67 20.130 -7.414 -15.231 1.00 0.00 C ATOM 948 CD1 LEU A 67 21.387 -8.079 -14.691 1.00 0.00 C ATOM 949 CD2 LEU A 67 19.747 -8.010 -16.578 1.00 0.00 C ATOM 0 H LEU A 67 17.730 -8.148 -12.169 1.00 0.00 H new ATOM 0 HA LEU A 67 20.118 -6.943 -12.520 1.00 0.00 H new ATOM 0 HB2 LEU A 67 18.863 -8.612 -13.993 1.00 0.00 H new ATOM 0 HB3 LEU A 67 18.059 -7.239 -14.726 1.00 0.00 H new ATOM 0 HG LEU A 67 20.335 -6.353 -15.371 1.00 0.00 H new ATOM 0 HD11 LEU A 67 22.196 -7.968 -15.413 1.00 0.00 H new ATOM 0 HD12 LEU A 67 21.673 -7.608 -13.751 1.00 0.00 H new ATOM 0 HD13 LEU A 67 21.194 -9.138 -14.522 1.00 0.00 H new ATOM 0 HD21 LEU A 67 20.578 -7.900 -17.274 1.00 0.00 H new ATOM 0 HD22 LEU A 67 19.514 -9.068 -16.455 1.00 0.00 H new ATOM 0 HD23 LEU A 67 18.873 -7.490 -16.971 1.00 0.00 H new ATOM 961 N HIS A 68 17.816 -4.912 -13.769 1.00 0.00 N ATOM 962 CA HIS A 68 17.531 -3.515 -14.074 1.00 0.00 C ATOM 963 C HIS A 68 17.197 -2.739 -12.803 1.00 0.00 C ATOM 964 O HIS A 68 17.772 -1.683 -12.539 1.00 0.00 O ATOM 965 CB HIS A 68 16.373 -3.412 -15.067 1.00 0.00 C ATOM 966 CG HIS A 68 16.785 -3.629 -16.491 1.00 0.00 C ATOM 967 ND1 HIS A 68 16.335 -4.688 -17.251 1.00 0.00 N ATOM 968 CD2 HIS A 68 17.608 -2.915 -17.293 1.00 0.00 C ATOM 969 CE1 HIS A 68 16.865 -4.617 -18.459 1.00 0.00 C ATOM 970 NE2 HIS A 68 17.642 -3.549 -18.510 1.00 0.00 N ATOM 0 H HIS A 68 17.075 -5.561 -14.035 1.00 0.00 H new ATOM 0 HA HIS A 68 18.423 -3.078 -14.523 1.00 0.00 H new ATOM 0 HB2 HIS A 68 15.611 -4.145 -14.802 1.00 0.00 H new ATOM 0 HB3 HIS A 68 15.913 -2.428 -14.976 1.00 0.00 H new ATOM 0 HD2 HIS A 68 18.139 -2.014 -17.025 1.00 0.00 H new ATOM 0 HE1 HIS A 68 16.693 -5.313 -19.267 1.00 0.00 H new ATOM 0 HE2 HIS A 68 18.180 -3.245 -19.322 1.00 0.00 H new ATOM 978 N TYR A 69 16.264 -3.270 -12.020 1.00 0.00 N ATOM 979 CA TYR A 69 15.851 -2.626 -10.779 1.00 0.00 C ATOM 980 C TYR A 69 17.016 -1.876 -10.140 1.00 0.00 C ATOM 981 O TYR A 69 16.906 -0.692 -9.819 1.00 0.00 O ATOM 982 CB TYR A 69 15.300 -3.664 -9.800 1.00 0.00 C ATOM 983 CG TYR A 69 14.790 -3.067 -8.508 1.00 0.00 C ATOM 984 CD1 TYR A 69 13.683 -2.228 -8.497 1.00 0.00 C ATOM 985 CD2 TYR A 69 15.415 -3.342 -7.298 1.00 0.00 C ATOM 986 CE1 TYR A 69 13.213 -1.679 -7.319 1.00 0.00 C ATOM 987 CE2 TYR A 69 14.951 -2.800 -6.115 1.00 0.00 C ATOM 988 CZ TYR A 69 13.851 -1.969 -6.131 1.00 0.00 C ATOM 989 OH TYR A 69 13.387 -1.425 -4.955 1.00 0.00 O ATOM 0 H TYR A 69 15.780 -4.144 -12.223 1.00 0.00 H new ATOM 0 HA TYR A 69 15.066 -1.907 -11.016 1.00 0.00 H new ATOM 0 HB2 TYR A 69 14.490 -4.212 -10.282 1.00 0.00 H new ATOM 0 HB3 TYR A 69 16.083 -4.388 -9.572 1.00 0.00 H new ATOM 0 HD1 TYR A 69 13.181 -2.001 -9.426 1.00 0.00 H new ATOM 0 HD2 TYR A 69 16.278 -3.991 -7.282 1.00 0.00 H new ATOM 0 HE1 TYR A 69 12.352 -1.027 -7.329 1.00 0.00 H new ATOM 0 HE2 TYR A 69 15.447 -3.026 -5.183 1.00 0.00 H new ATOM 0 HH TYR A 69 13.947 -1.729 -4.210 1.00 0.00 H new ATOM 999 N HIS A 70 18.132 -2.575 -9.959 1.00 0.00 N ATOM 1000 CA HIS A 70 19.320 -1.976 -9.360 1.00 0.00 C ATOM 1001 C HIS A 70 19.884 -0.875 -10.254 1.00 0.00 C ATOM 1002 O HIS A 70 20.106 0.250 -9.806 1.00 0.00 O ATOM 1003 CB HIS A 70 20.386 -3.044 -9.112 1.00 0.00 C ATOM 1004 CG HIS A 70 20.049 -3.976 -7.989 1.00 0.00 C ATOM 1005 ND1 HIS A 70 19.703 -3.541 -6.728 1.00 0.00 N ATOM 1006 CD2 HIS A 70 20.006 -5.329 -7.944 1.00 0.00 C ATOM 1007 CE1 HIS A 70 19.463 -4.585 -5.955 1.00 0.00 C ATOM 1008 NE2 HIS A 70 19.639 -5.682 -6.669 1.00 0.00 N ATOM 0 H HIS A 70 18.239 -3.556 -10.218 1.00 0.00 H new ATOM 0 HA HIS A 70 19.032 -1.533 -8.407 1.00 0.00 H new ATOM 0 HB2 HIS A 70 20.527 -3.623 -10.024 1.00 0.00 H new ATOM 0 HB3 HIS A 70 21.335 -2.555 -8.895 1.00 0.00 H new ATOM 0 HD1 HIS A 70 19.642 -2.565 -6.437 1.00 0.00 H new ATOM 0 HD2 HIS A 70 20.220 -6.004 -8.759 1.00 0.00 H new ATOM 0 HE1 HIS A 70 19.172 -4.548 -4.916 1.00 0.00 H new ATOM 1016 N HIS A 71 20.113 -1.208 -11.520 1.00 0.00 N ATOM 1017 CA HIS A 71 20.652 -0.248 -12.477 1.00 0.00 C ATOM 1018 C HIS A 71 19.941 1.097 -12.356 1.00 0.00 C ATOM 1019 O HIS A 71 20.583 2.146 -12.298 1.00 0.00 O ATOM 1020 CB HIS A 71 20.513 -0.784 -13.902 1.00 0.00 C ATOM 1021 CG HIS A 71 21.247 0.030 -14.923 1.00 0.00 C ATOM 1022 ND1 HIS A 71 22.575 0.378 -14.795 1.00 0.00 N ATOM 1023 CD2 HIS A 71 20.831 0.565 -16.094 1.00 0.00 C ATOM 1024 CE1 HIS A 71 22.944 1.093 -15.843 1.00 0.00 C ATOM 1025 NE2 HIS A 71 21.904 1.220 -16.647 1.00 0.00 N ATOM 0 H HIS A 71 19.934 -2.135 -11.907 1.00 0.00 H new ATOM 0 HA HIS A 71 21.709 -0.103 -12.253 1.00 0.00 H new ATOM 0 HB2 HIS A 71 20.882 -1.809 -13.933 1.00 0.00 H new ATOM 0 HB3 HIS A 71 19.456 -0.817 -14.167 1.00 0.00 H new ATOM 0 HD2 HIS A 71 19.839 0.491 -16.516 1.00 0.00 H new ATOM 0 HE1 HIS A 71 23.928 1.504 -16.013 1.00 0.00 H new ATOM 0 HE2 HIS A 71 21.899 1.723 -17.534 1.00 0.00 H new ATOM 1033 N ARG A 72 18.613 1.058 -12.319 1.00 0.00 N ATOM 1034 CA ARG A 72 17.816 2.273 -12.206 1.00 0.00 C ATOM 1035 C ARG A 72 17.904 2.853 -10.798 1.00 0.00 C ATOM 1036 O ARG A 72 18.092 4.057 -10.622 1.00 0.00 O ATOM 1037 CB ARG A 72 16.356 1.985 -12.561 1.00 0.00 C ATOM 1038 CG ARG A 72 16.047 2.136 -14.041 1.00 0.00 C ATOM 1039 CD ARG A 72 14.668 1.594 -14.381 1.00 0.00 C ATOM 1040 NE ARG A 72 14.068 2.294 -15.514 1.00 0.00 N ATOM 1041 CZ ARG A 72 14.512 2.188 -16.762 1.00 0.00 C ATOM 1042 NH1 ARG A 72 15.553 1.415 -17.035 1.00 0.00 N ATOM 1043 NH2 ARG A 72 13.913 2.857 -17.739 1.00 0.00 N ATOM 0 H ARG A 72 18.067 0.198 -12.366 1.00 0.00 H new ATOM 0 HA ARG A 72 18.216 3.006 -12.907 1.00 0.00 H new ATOM 0 HB2 ARG A 72 16.109 0.970 -12.249 1.00 0.00 H new ATOM 0 HB3 ARG A 72 15.714 2.659 -11.994 1.00 0.00 H new ATOM 0 HG2 ARG A 72 16.104 3.188 -14.320 1.00 0.00 H new ATOM 0 HG3 ARG A 72 16.801 1.609 -14.627 1.00 0.00 H new ATOM 0 HD2 ARG A 72 14.743 0.531 -14.610 1.00 0.00 H new ATOM 0 HD3 ARG A 72 14.017 1.688 -13.511 1.00 0.00 H new ATOM 0 HE ARG A 72 13.264 2.897 -15.338 1.00 0.00 H new ATOM 0 HH11 ARG A 72 16.016 0.899 -16.286 1.00 0.00 H new ATOM 0 HH12 ARG A 72 15.892 1.335 -17.994 1.00 0.00 H new ATOM 0 HH21 ARG A 72 13.111 3.453 -17.532 1.00 0.00 H new ATOM 0 HH22 ARG A 72 14.254 2.775 -18.697 1.00 0.00 H new ATOM 1057 N ARG A 73 17.766 1.988 -9.798 1.00 0.00 N ATOM 1058 CA ARG A 73 17.828 2.414 -8.405 1.00 0.00 C ATOM 1059 C ARG A 73 19.005 3.357 -8.177 1.00 0.00 C ATOM 1060 O ARG A 73 18.844 4.447 -7.629 1.00 0.00 O ATOM 1061 CB ARG A 73 17.948 1.199 -7.483 1.00 0.00 C ATOM 1062 CG ARG A 73 16.608 0.620 -7.060 1.00 0.00 C ATOM 1063 CD ARG A 73 16.688 -0.024 -5.685 1.00 0.00 C ATOM 1064 NE ARG A 73 16.890 0.963 -4.629 1.00 0.00 N ATOM 1065 CZ ARG A 73 17.011 0.650 -3.343 1.00 0.00 C ATOM 1066 NH1 ARG A 73 16.951 -0.617 -2.958 1.00 0.00 N ATOM 1067 NH2 ARG A 73 17.193 1.605 -2.441 1.00 0.00 N ATOM 0 H ARG A 73 17.611 0.988 -9.927 1.00 0.00 H new ATOM 0 HA ARG A 73 16.907 2.948 -8.173 1.00 0.00 H new ATOM 0 HB2 ARG A 73 18.525 0.425 -7.989 1.00 0.00 H new ATOM 0 HB3 ARG A 73 18.509 1.483 -6.593 1.00 0.00 H new ATOM 0 HG2 ARG A 73 15.856 1.409 -7.050 1.00 0.00 H new ATOM 0 HG3 ARG A 73 16.283 -0.120 -7.791 1.00 0.00 H new ATOM 0 HD2 ARG A 73 15.770 -0.579 -5.491 1.00 0.00 H new ATOM 0 HD3 ARG A 73 17.506 -0.744 -5.669 1.00 0.00 H new ATOM 0 HE ARG A 73 16.941 1.947 -4.892 1.00 0.00 H new ATOM 0 HH11 ARG A 73 16.812 -1.354 -3.649 1.00 0.00 H new ATOM 0 HH12 ARG A 73 17.044 -0.855 -1.971 1.00 0.00 H new ATOM 0 HH21 ARG A 73 17.240 2.581 -2.734 1.00 0.00 H new ATOM 0 HH22 ARG A 73 17.286 1.364 -1.454 1.00 0.00 H new ATOM 1081 N GLY A 74 20.191 2.930 -8.602 1.00 0.00 N ATOM 1082 CA GLY A 74 21.377 3.748 -8.434 1.00 0.00 C ATOM 1083 C GLY A 74 22.530 3.282 -9.301 1.00 0.00 C ATOM 1084 O GLY A 74 23.275 2.378 -8.921 1.00 0.00 O ATOM 0 H GLY A 74 20.351 2.032 -9.059 1.00 0.00 H new ATOM 0 HA2 GLY A 74 21.138 4.783 -8.678 1.00 0.00 H new ATOM 0 HA3 GLY A 74 21.682 3.729 -7.388 1.00 0.00 H new ATOM 1088 N SER A 75 22.677 3.898 -10.470 1.00 0.00 N ATOM 1089 CA SER A 75 23.744 3.536 -11.395 1.00 0.00 C ATOM 1090 C SER A 75 24.910 4.515 -11.289 1.00 0.00 C ATOM 1091 O SER A 75 26.066 4.110 -11.166 1.00 0.00 O ATOM 1092 CB SER A 75 23.216 3.510 -12.831 1.00 0.00 C ATOM 1093 OG SER A 75 24.277 3.580 -13.767 1.00 0.00 O ATOM 0 H SER A 75 22.071 4.650 -10.798 1.00 0.00 H new ATOM 0 HA SER A 75 24.101 2.541 -11.128 1.00 0.00 H new ATOM 0 HB2 SER A 75 22.643 2.597 -12.994 1.00 0.00 H new ATOM 0 HB3 SER A 75 22.535 4.346 -12.986 1.00 0.00 H new ATOM 0 HG SER A 75 23.913 3.560 -14.677 1.00 0.00 H new ATOM 1099 N GLY A 76 24.598 5.806 -11.337 1.00 0.00 N ATOM 1100 CA GLY A 76 25.629 6.823 -11.245 1.00 0.00 C ATOM 1101 C GLY A 76 25.332 8.030 -12.111 1.00 0.00 C ATOM 1102 O GLY A 76 24.344 8.737 -11.911 1.00 0.00 O ATOM 0 H GLY A 76 23.649 6.166 -11.438 1.00 0.00 H new ATOM 0 HA2 GLY A 76 25.730 7.140 -10.207 1.00 0.00 H new ATOM 0 HA3 GLY A 76 26.586 6.394 -11.542 1.00 0.00 H new ATOM 1106 N PRO A 77 26.203 8.283 -13.100 1.00 0.00 N ATOM 1107 CA PRO A 77 26.050 9.414 -14.019 1.00 0.00 C ATOM 1108 C PRO A 77 24.872 9.233 -14.971 1.00 0.00 C ATOM 1109 O PRO A 77 24.670 10.035 -15.882 1.00 0.00 O ATOM 1110 CB PRO A 77 27.369 9.420 -14.796 1.00 0.00 C ATOM 1111 CG PRO A 77 27.855 8.013 -14.729 1.00 0.00 C ATOM 1112 CD PRO A 77 27.403 7.482 -13.396 1.00 0.00 C ATOM 0 HA PRO A 77 25.847 10.345 -13.489 1.00 0.00 H new ATOM 0 HB2 PRO A 77 27.219 9.738 -15.828 1.00 0.00 H new ATOM 0 HB3 PRO A 77 28.087 10.109 -14.351 1.00 0.00 H new ATOM 0 HG2 PRO A 77 27.444 7.419 -15.545 1.00 0.00 H new ATOM 0 HG3 PRO A 77 28.940 7.970 -14.818 1.00 0.00 H new ATOM 0 HD2 PRO A 77 27.174 6.417 -13.444 1.00 0.00 H new ATOM 0 HD3 PRO A 77 28.170 7.609 -12.632 1.00 0.00 H new ATOM 1120 N SER A 78 24.098 8.176 -14.752 1.00 0.00 N ATOM 1121 CA SER A 78 22.941 7.888 -15.592 1.00 0.00 C ATOM 1122 C SER A 78 21.941 9.039 -15.552 1.00 0.00 C ATOM 1123 O SER A 78 21.302 9.285 -14.528 1.00 0.00 O ATOM 1124 CB SER A 78 22.265 6.593 -15.140 1.00 0.00 C ATOM 1125 OG SER A 78 21.007 6.427 -15.771 1.00 0.00 O ATOM 0 H SER A 78 24.251 7.504 -14.000 1.00 0.00 H new ATOM 0 HA SER A 78 23.289 7.768 -16.618 1.00 0.00 H new ATOM 0 HB2 SER A 78 22.907 5.744 -15.373 1.00 0.00 H new ATOM 0 HB3 SER A 78 22.134 6.606 -14.058 1.00 0.00 H new ATOM 0 HG SER A 78 20.596 5.591 -15.466 1.00 0.00 H new ATOM 1131 N SER A 79 21.810 9.742 -16.672 1.00 0.00 N ATOM 1132 CA SER A 79 20.890 10.869 -16.765 1.00 0.00 C ATOM 1133 C SER A 79 19.732 10.550 -17.705 1.00 0.00 C ATOM 1134 O SER A 79 19.771 10.876 -18.890 1.00 0.00 O ATOM 1135 CB SER A 79 21.628 12.118 -17.253 1.00 0.00 C ATOM 1136 OG SER A 79 20.779 13.252 -17.233 1.00 0.00 O ATOM 0 H SER A 79 22.330 9.551 -17.528 1.00 0.00 H new ATOM 0 HA SER A 79 20.486 11.059 -15.771 1.00 0.00 H new ATOM 0 HB2 SER A 79 22.498 12.300 -16.622 1.00 0.00 H new ATOM 0 HB3 SER A 79 21.997 11.954 -18.265 1.00 0.00 H new ATOM 0 HG SER A 79 21.274 14.037 -17.548 1.00 0.00 H new ATOM 1142 N GLY A 80 18.700 9.909 -17.165 1.00 0.00 N ATOM 1143 CA GLY A 80 17.544 9.555 -17.968 1.00 0.00 C ATOM 1144 C GLY A 80 16.304 10.333 -17.574 1.00 0.00 C ATOM 1145 O GLY A 80 16.389 11.190 -16.695 1.00 0.00 O ATOM 0 H GLY A 80 18.644 9.629 -16.186 1.00 0.00 H new ATOM 0 HA2 GLY A 80 17.766 9.739 -19.019 1.00 0.00 H new ATOM 0 HA3 GLY A 80 17.347 8.488 -17.866 1.00 0.00 H new TER 1149 GLY A 80 HETATM 1150 ZN ZN A 201 -2.850 -8.495 -17.974 1.00 0.00 ZN HETATM 1151 ZN ZN A 401 14.831 -6.219 -16.376 1.00 0.00 ZN