USER MOD reduce.3.24.130724 H: found=0, std=0, add=455, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 453 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 40 HIS HD1 : A 40 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 35 THR OG1 : rot -61:sc= 0.53 USER MOD Set 1.2: A 41 ASN :FLIP amide:sc= 0.489 F(o=-0.77,f=1) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 37:sc= 0.389 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 ASN : amide:sc= -0.86 K(o=-0.86,f=-2.6!) USER MOD Single : A 16 LYS NZ :NH3+ -155:sc= -0.0814 (180deg=-0.481) USER MOD Single : A 18 GLN : amide:sc= -0.732 K(o=-0.73,f=-2.9!) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ -150:sc= -0.0197 (180deg=-1.07) USER MOD Single : A 45 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.0394) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.198 K(o=-0.2,f=-1.1) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00624) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 46.203 -29.149 29.548 1.00 0.00 N ATOM 2 CA GLY A 1 46.918 -28.468 28.485 1.00 0.00 C ATOM 3 C GLY A 1 46.151 -28.469 27.177 1.00 0.00 C ATOM 4 O GLY A 1 46.474 -29.225 26.261 1.00 0.00 O ATOM 0 H1 GLY A 1 46.769 -29.121 30.420 1.00 0.00 H new ATOM 0 H2 GLY A 1 45.291 -28.676 29.711 1.00 0.00 H new ATOM 0 H3 GLY A 1 46.036 -30.139 29.276 1.00 0.00 H new ATOM 0 HA2 GLY A 1 47.116 -27.439 28.786 1.00 0.00 H new ATOM 0 HA3 GLY A 1 47.885 -28.948 28.336 1.00 0.00 H new ATOM 8 N SER A 2 45.132 -27.620 27.090 1.00 0.00 N ATOM 9 CA SER A 2 44.313 -27.530 25.887 1.00 0.00 C ATOM 10 C SER A 2 45.107 -26.923 24.734 1.00 0.00 C ATOM 11 O SER A 2 45.536 -25.771 24.800 1.00 0.00 O ATOM 12 CB SER A 2 43.062 -26.692 26.157 1.00 0.00 C ATOM 13 OG SER A 2 43.405 -25.413 26.662 1.00 0.00 O ATOM 0 H SER A 2 44.854 -26.985 27.838 1.00 0.00 H new ATOM 0 HA SER A 2 44.011 -28.539 25.606 1.00 0.00 H new ATOM 0 HB2 SER A 2 42.489 -26.581 25.237 1.00 0.00 H new ATOM 0 HB3 SER A 2 42.421 -27.209 26.871 1.00 0.00 H new ATOM 0 HG SER A 2 44.222 -25.097 26.223 1.00 0.00 H new ATOM 19 N SER A 3 45.298 -27.707 23.678 1.00 0.00 N ATOM 20 CA SER A 3 46.042 -27.249 22.511 1.00 0.00 C ATOM 21 C SER A 3 45.105 -26.641 21.472 1.00 0.00 C ATOM 22 O SER A 3 45.389 -25.586 20.905 1.00 0.00 O ATOM 23 CB SER A 3 46.824 -28.409 21.891 1.00 0.00 C ATOM 24 OG SER A 3 47.584 -27.975 20.777 1.00 0.00 O ATOM 0 H SER A 3 44.948 -28.662 23.607 1.00 0.00 H new ATOM 0 HA SER A 3 46.742 -26.480 22.837 1.00 0.00 H new ATOM 0 HB2 SER A 3 47.486 -28.846 22.639 1.00 0.00 H new ATOM 0 HB3 SER A 3 46.133 -29.193 21.580 1.00 0.00 H new ATOM 0 HG SER A 3 48.075 -28.735 20.400 1.00 0.00 H new ATOM 30 N GLY A 4 43.985 -27.314 21.228 1.00 0.00 N ATOM 31 CA GLY A 4 43.022 -26.825 20.259 1.00 0.00 C ATOM 32 C GLY A 4 41.873 -27.791 20.045 1.00 0.00 C ATOM 33 O GLY A 4 41.362 -28.379 20.998 1.00 0.00 O ATOM 0 H GLY A 4 43.727 -28.189 21.684 1.00 0.00 H new ATOM 0 HA2 GLY A 4 42.628 -25.866 20.595 1.00 0.00 H new ATOM 0 HA3 GLY A 4 43.525 -26.648 19.309 1.00 0.00 H new ATOM 37 N SER A 5 41.466 -27.955 18.790 1.00 0.00 N ATOM 38 CA SER A 5 40.367 -28.853 18.454 1.00 0.00 C ATOM 39 C SER A 5 40.776 -29.825 17.352 1.00 0.00 C ATOM 40 O SER A 5 41.586 -29.493 16.486 1.00 0.00 O ATOM 41 CB SER A 5 39.142 -28.050 18.013 1.00 0.00 C ATOM 42 OG SER A 5 38.756 -27.118 19.009 1.00 0.00 O ATOM 0 H SER A 5 41.881 -27.478 17.989 1.00 0.00 H new ATOM 0 HA SER A 5 40.115 -29.428 19.345 1.00 0.00 H new ATOM 0 HB2 SER A 5 39.364 -27.524 17.085 1.00 0.00 H new ATOM 0 HB3 SER A 5 38.314 -28.728 17.805 1.00 0.00 H new ATOM 0 HG SER A 5 37.972 -26.617 18.702 1.00 0.00 H new ATOM 48 N SER A 6 40.211 -31.027 17.392 1.00 0.00 N ATOM 49 CA SER A 6 40.519 -32.050 16.399 1.00 0.00 C ATOM 50 C SER A 6 39.368 -33.042 16.267 1.00 0.00 C ATOM 51 O SER A 6 38.668 -33.332 17.236 1.00 0.00 O ATOM 52 CB SER A 6 41.803 -32.789 16.780 1.00 0.00 C ATOM 53 OG SER A 6 41.733 -33.285 18.105 1.00 0.00 O ATOM 0 H SER A 6 39.538 -31.317 18.101 1.00 0.00 H new ATOM 0 HA SER A 6 40.663 -31.557 15.437 1.00 0.00 H new ATOM 0 HB2 SER A 6 41.970 -33.614 16.088 1.00 0.00 H new ATOM 0 HB3 SER A 6 42.655 -32.116 16.685 1.00 0.00 H new ATOM 0 HG SER A 6 42.565 -33.754 18.323 1.00 0.00 H new ATOM 59 N GLY A 7 39.177 -33.560 15.057 1.00 0.00 N ATOM 60 CA GLY A 7 38.110 -34.514 14.817 1.00 0.00 C ATOM 61 C GLY A 7 36.759 -33.997 15.269 1.00 0.00 C ATOM 62 O GLY A 7 36.336 -34.250 16.397 1.00 0.00 O ATOM 0 H GLY A 7 39.743 -33.336 14.238 1.00 0.00 H new ATOM 0 HA2 GLY A 7 38.069 -34.749 13.753 1.00 0.00 H new ATOM 0 HA3 GLY A 7 38.333 -35.444 15.340 1.00 0.00 H new ATOM 66 N MET A 8 36.080 -33.271 14.388 1.00 0.00 N ATOM 67 CA MET A 8 34.768 -32.717 14.703 1.00 0.00 C ATOM 68 C MET A 8 33.873 -32.702 13.468 1.00 0.00 C ATOM 69 O MET A 8 34.331 -32.959 12.355 1.00 0.00 O ATOM 70 CB MET A 8 34.910 -31.300 15.262 1.00 0.00 C ATOM 71 CG MET A 8 35.525 -31.254 16.651 1.00 0.00 C ATOM 72 SD MET A 8 34.335 -31.634 17.951 1.00 0.00 S ATOM 73 CE MET A 8 35.431 -32.118 19.283 1.00 0.00 C ATOM 0 H MET A 8 36.416 -33.052 13.450 1.00 0.00 H new ATOM 0 HA MET A 8 34.305 -33.353 15.458 1.00 0.00 H new ATOM 0 HB2 MET A 8 35.524 -30.710 14.582 1.00 0.00 H new ATOM 0 HB3 MET A 8 33.927 -30.830 15.293 1.00 0.00 H new ATOM 0 HG2 MET A 8 36.351 -31.963 16.702 1.00 0.00 H new ATOM 0 HG3 MET A 8 35.944 -30.263 16.826 1.00 0.00 H new ATOM 0 HE1 MET A 8 34.842 -32.383 20.161 1.00 0.00 H new ATOM 0 HE2 MET A 8 36.025 -32.977 18.971 1.00 0.00 H new ATOM 0 HE3 MET A 8 36.094 -31.288 19.528 1.00 0.00 H new ATOM 83 N ALA A 9 32.595 -32.400 13.672 1.00 0.00 N ATOM 84 CA ALA A 9 31.637 -32.350 12.575 1.00 0.00 C ATOM 85 C ALA A 9 30.967 -30.983 12.493 1.00 0.00 C ATOM 86 O ALA A 9 30.409 -30.495 13.476 1.00 0.00 O ATOM 87 CB ALA A 9 30.592 -33.444 12.736 1.00 0.00 C ATOM 0 H ALA A 9 32.199 -32.186 14.587 1.00 0.00 H new ATOM 0 HA ALA A 9 32.179 -32.516 11.644 1.00 0.00 H new ATOM 0 HB1 ALA A 9 29.883 -33.394 11.909 1.00 0.00 H new ATOM 0 HB2 ALA A 9 31.082 -34.418 12.736 1.00 0.00 H new ATOM 0 HB3 ALA A 9 30.061 -33.305 13.678 1.00 0.00 H new ATOM 93 N SER A 10 31.026 -30.369 11.316 1.00 0.00 N ATOM 94 CA SER A 10 30.428 -29.055 11.108 1.00 0.00 C ATOM 95 C SER A 10 29.488 -29.070 9.906 1.00 0.00 C ATOM 96 O SER A 10 29.404 -30.061 9.182 1.00 0.00 O ATOM 97 CB SER A 10 31.519 -28.002 10.902 1.00 0.00 C ATOM 98 OG SER A 10 32.118 -28.130 9.625 1.00 0.00 O ATOM 0 H SER A 10 31.482 -30.760 10.492 1.00 0.00 H new ATOM 0 HA SER A 10 29.850 -28.801 11.997 1.00 0.00 H new ATOM 0 HB2 SER A 10 31.091 -27.005 11.008 1.00 0.00 H new ATOM 0 HB3 SER A 10 32.280 -28.106 11.676 1.00 0.00 H new ATOM 0 HG SER A 10 32.810 -27.445 9.518 1.00 0.00 H new ATOM 104 N GLY A 11 28.781 -27.963 9.702 1.00 0.00 N ATOM 105 CA GLY A 11 27.856 -27.868 8.588 1.00 0.00 C ATOM 106 C GLY A 11 26.573 -27.150 8.959 1.00 0.00 C ATOM 107 O GLY A 11 26.070 -27.301 10.072 1.00 0.00 O ATOM 0 H GLY A 11 28.832 -27.130 10.288 1.00 0.00 H new ATOM 0 HA2 GLY A 11 28.338 -27.342 7.764 1.00 0.00 H new ATOM 0 HA3 GLY A 11 27.618 -28.870 8.231 1.00 0.00 H new ATOM 111 N GLN A 12 26.044 -26.366 8.025 1.00 0.00 N ATOM 112 CA GLN A 12 24.814 -25.621 8.261 1.00 0.00 C ATOM 113 C GLN A 12 23.665 -26.190 7.436 1.00 0.00 C ATOM 114 O GLN A 12 23.799 -26.405 6.231 1.00 0.00 O ATOM 115 CB GLN A 12 25.016 -24.142 7.924 1.00 0.00 C ATOM 116 CG GLN A 12 26.062 -23.458 8.789 1.00 0.00 C ATOM 117 CD GLN A 12 26.600 -22.188 8.160 1.00 0.00 C ATOM 118 OE1 GLN A 12 25.846 -21.262 7.860 1.00 0.00 O ATOM 119 NE2 GLN A 12 27.912 -22.138 7.956 1.00 0.00 N ATOM 0 H GLN A 12 26.448 -26.231 7.098 1.00 0.00 H new ATOM 0 HA GLN A 12 24.560 -25.715 9.317 1.00 0.00 H new ATOM 0 HB2 GLN A 12 25.307 -24.053 6.877 1.00 0.00 H new ATOM 0 HB3 GLN A 12 24.066 -23.619 8.036 1.00 0.00 H new ATOM 0 HG2 GLN A 12 25.627 -23.222 9.760 1.00 0.00 H new ATOM 0 HG3 GLN A 12 26.887 -24.148 8.969 1.00 0.00 H new ATOM 0 HE21 GLN A 12 28.500 -22.929 8.220 1.00 0.00 H new ATOM 0 HE22 GLN A 12 28.331 -21.309 7.535 1.00 0.00 H new ATOM 128 N PHE A 13 22.536 -26.434 8.093 1.00 0.00 N ATOM 129 CA PHE A 13 21.363 -26.980 7.420 1.00 0.00 C ATOM 130 C PHE A 13 20.775 -25.967 6.443 1.00 0.00 C ATOM 131 O PHE A 13 20.787 -24.762 6.698 1.00 0.00 O ATOM 132 CB PHE A 13 20.304 -27.390 8.446 1.00 0.00 C ATOM 133 CG PHE A 13 20.585 -28.712 9.102 1.00 0.00 C ATOM 134 CD1 PHE A 13 20.662 -29.872 8.348 1.00 0.00 C ATOM 135 CD2 PHE A 13 20.773 -28.794 10.472 1.00 0.00 C ATOM 136 CE1 PHE A 13 20.920 -31.089 8.949 1.00 0.00 C ATOM 137 CE2 PHE A 13 21.031 -30.009 11.079 1.00 0.00 C ATOM 138 CZ PHE A 13 21.106 -31.158 10.316 1.00 0.00 C ATOM 0 H PHE A 13 22.408 -26.262 9.090 1.00 0.00 H new ATOM 0 HA PHE A 13 21.675 -27.861 6.859 1.00 0.00 H new ATOM 0 HB2 PHE A 13 20.236 -26.619 9.214 1.00 0.00 H new ATOM 0 HB3 PHE A 13 19.332 -27.437 7.954 1.00 0.00 H new ATOM 0 HD1 PHE A 13 20.519 -29.824 7.279 1.00 0.00 H new ATOM 0 HD2 PHE A 13 20.717 -27.898 11.073 1.00 0.00 H new ATOM 0 HE1 PHE A 13 20.976 -31.986 8.350 1.00 0.00 H new ATOM 0 HE2 PHE A 13 21.174 -30.060 12.148 1.00 0.00 H new ATOM 0 HZ PHE A 13 21.310 -32.108 10.787 1.00 0.00 H new ATOM 148 N VAL A 14 20.261 -26.463 5.322 1.00 0.00 N ATOM 149 CA VAL A 14 19.667 -25.602 4.306 1.00 0.00 C ATOM 150 C VAL A 14 18.580 -24.716 4.904 1.00 0.00 C ATOM 151 O VAL A 14 17.985 -25.051 5.927 1.00 0.00 O ATOM 152 CB VAL A 14 19.065 -26.427 3.153 1.00 0.00 C ATOM 153 CG1 VAL A 14 20.140 -27.264 2.477 1.00 0.00 C ATOM 154 CG2 VAL A 14 17.934 -27.308 3.663 1.00 0.00 C ATOM 0 H VAL A 14 20.244 -27.457 5.094 1.00 0.00 H new ATOM 0 HA VAL A 14 20.468 -24.975 3.914 1.00 0.00 H new ATOM 0 HB VAL A 14 18.655 -25.740 2.413 1.00 0.00 H new ATOM 0 HG11 VAL A 14 19.696 -27.840 1.665 1.00 0.00 H new ATOM 0 HG12 VAL A 14 20.913 -26.608 2.076 1.00 0.00 H new ATOM 0 HG13 VAL A 14 20.583 -27.944 3.205 1.00 0.00 H new ATOM 0 HG21 VAL A 14 17.520 -27.884 2.835 1.00 0.00 H new ATOM 0 HG22 VAL A 14 18.317 -27.989 4.423 1.00 0.00 H new ATOM 0 HG23 VAL A 14 17.153 -26.683 4.097 1.00 0.00 H new ATOM 164 N ASN A 15 18.327 -23.582 4.257 1.00 0.00 N ATOM 165 CA ASN A 15 17.311 -22.646 4.725 1.00 0.00 C ATOM 166 C ASN A 15 16.655 -21.925 3.552 1.00 0.00 C ATOM 167 O ASN A 15 17.317 -21.574 2.575 1.00 0.00 O ATOM 168 CB ASN A 15 17.930 -21.627 5.684 1.00 0.00 C ATOM 169 CG ASN A 15 18.577 -20.466 4.954 1.00 0.00 C ATOM 170 OD1 ASN A 15 19.207 -20.647 3.912 1.00 0.00 O ATOM 171 ND2 ASN A 15 18.425 -19.265 5.500 1.00 0.00 N ATOM 0 H ASN A 15 18.811 -23.290 3.408 1.00 0.00 H new ATOM 0 HA ASN A 15 16.545 -23.213 5.254 1.00 0.00 H new ATOM 0 HB2 ASN A 15 17.159 -21.247 6.354 1.00 0.00 H new ATOM 0 HB3 ASN A 15 18.676 -22.123 6.305 1.00 0.00 H new ATOM 0 HD21 ASN A 15 18.839 -18.446 5.054 1.00 0.00 H new ATOM 0 HD22 ASN A 15 17.894 -19.161 6.365 1.00 0.00 H new ATOM 178 N LYS A 16 15.349 -21.705 3.655 1.00 0.00 N ATOM 179 CA LYS A 16 14.601 -21.023 2.605 1.00 0.00 C ATOM 180 C LYS A 16 15.246 -19.685 2.259 1.00 0.00 C ATOM 181 O LYS A 16 16.144 -19.217 2.960 1.00 0.00 O ATOM 182 CB LYS A 16 13.151 -20.805 3.043 1.00 0.00 C ATOM 183 CG LYS A 16 12.163 -20.797 1.889 1.00 0.00 C ATOM 184 CD LYS A 16 10.756 -21.130 2.358 1.00 0.00 C ATOM 185 CE LYS A 16 10.497 -22.628 2.319 1.00 0.00 C ATOM 186 NZ LYS A 16 10.482 -23.153 0.926 1.00 0.00 N ATOM 0 H LYS A 16 14.786 -21.990 4.456 1.00 0.00 H new ATOM 0 HA LYS A 16 14.614 -21.653 1.716 1.00 0.00 H new ATOM 0 HB2 LYS A 16 12.870 -21.590 3.745 1.00 0.00 H new ATOM 0 HB3 LYS A 16 13.080 -19.858 3.578 1.00 0.00 H new ATOM 0 HG2 LYS A 16 12.166 -19.817 1.413 1.00 0.00 H new ATOM 0 HG3 LYS A 16 12.477 -21.519 1.135 1.00 0.00 H new ATOM 0 HD2 LYS A 16 10.613 -20.761 3.374 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.030 -20.617 1.727 1.00 0.00 H new ATOM 0 HE2 LYS A 16 11.266 -23.144 2.893 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.542 -22.844 2.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.911 -24.022 0.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 10.070 -22.440 0.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 11.455 -23.364 0.624 1.00 0.00 H new ATOM 200 N LEU A 17 14.782 -19.073 1.175 1.00 0.00 N ATOM 201 CA LEU A 17 15.313 -17.786 0.737 1.00 0.00 C ATOM 202 C LEU A 17 14.498 -16.635 1.317 1.00 0.00 C ATOM 203 O LEU A 17 13.512 -16.853 2.020 1.00 0.00 O ATOM 204 CB LEU A 17 15.315 -17.707 -0.790 1.00 0.00 C ATOM 205 CG LEU A 17 13.998 -18.060 -1.482 1.00 0.00 C ATOM 206 CD1 LEU A 17 13.916 -19.556 -1.744 1.00 0.00 C ATOM 207 CD2 LEU A 17 12.814 -17.598 -0.644 1.00 0.00 C ATOM 0 H LEU A 17 14.040 -19.447 0.583 1.00 0.00 H new ATOM 0 HA LEU A 17 16.337 -17.700 1.100 1.00 0.00 H new ATOM 0 HB2 LEU A 17 15.595 -16.695 -1.081 1.00 0.00 H new ATOM 0 HB3 LEU A 17 16.091 -18.373 -1.167 1.00 0.00 H new ATOM 0 HG LEU A 17 13.964 -17.542 -2.440 1.00 0.00 H new ATOM 0 HD11 LEU A 17 12.972 -19.788 -2.237 1.00 0.00 H new ATOM 0 HD12 LEU A 17 14.744 -19.859 -2.385 1.00 0.00 H new ATOM 0 HD13 LEU A 17 13.973 -20.095 -0.798 1.00 0.00 H new ATOM 0 HD21 LEU A 17 11.885 -17.858 -1.152 1.00 0.00 H new ATOM 0 HD22 LEU A 17 12.844 -18.087 0.329 1.00 0.00 H new ATOM 0 HD23 LEU A 17 12.864 -16.518 -0.509 1.00 0.00 H new ATOM 219 N GLN A 18 14.916 -15.410 1.015 1.00 0.00 N ATOM 220 CA GLN A 18 14.223 -14.224 1.505 1.00 0.00 C ATOM 221 C GLN A 18 13.222 -13.714 0.474 1.00 0.00 C ATOM 222 O GLN A 18 13.254 -14.117 -0.688 1.00 0.00 O ATOM 223 CB GLN A 18 15.229 -13.124 1.845 1.00 0.00 C ATOM 224 CG GLN A 18 16.204 -13.510 2.945 1.00 0.00 C ATOM 225 CD GLN A 18 15.528 -13.683 4.291 1.00 0.00 C ATOM 226 OE1 GLN A 18 14.674 -14.554 4.461 1.00 0.00 O ATOM 227 NE2 GLN A 18 15.907 -12.853 5.255 1.00 0.00 N ATOM 0 H GLN A 18 15.731 -15.213 0.434 1.00 0.00 H new ATOM 0 HA GLN A 18 13.678 -14.499 2.408 1.00 0.00 H new ATOM 0 HB2 GLN A 18 15.791 -12.867 0.947 1.00 0.00 H new ATOM 0 HB3 GLN A 18 14.687 -12.229 2.149 1.00 0.00 H new ATOM 0 HG2 GLN A 18 16.704 -14.439 2.672 1.00 0.00 H new ATOM 0 HG3 GLN A 18 16.976 -12.744 3.026 1.00 0.00 H new ATOM 0 HE21 GLN A 18 16.619 -12.146 5.069 1.00 0.00 H new ATOM 0 HE22 GLN A 18 15.487 -12.922 6.182 1.00 0.00 H new ATOM 236 N GLU A 19 12.334 -12.825 0.908 1.00 0.00 N ATOM 237 CA GLU A 19 11.323 -12.261 0.022 1.00 0.00 C ATOM 238 C GLU A 19 11.086 -10.786 0.335 1.00 0.00 C ATOM 239 O GLU A 19 11.027 -10.390 1.498 1.00 0.00 O ATOM 240 CB GLU A 19 10.010 -13.037 0.149 1.00 0.00 C ATOM 241 CG GLU A 19 8.845 -12.385 -0.576 1.00 0.00 C ATOM 242 CD GLU A 19 7.499 -12.877 -0.078 1.00 0.00 C ATOM 243 OE1 GLU A 19 7.264 -14.102 -0.118 1.00 0.00 O ATOM 244 OE2 GLU A 19 6.682 -12.036 0.352 1.00 0.00 O ATOM 0 H GLU A 19 12.294 -12.480 1.867 1.00 0.00 H new ATOM 0 HA GLU A 19 11.688 -12.344 -1.002 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.153 -14.044 -0.243 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.759 -13.139 1.205 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.902 -11.304 -0.449 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.928 -12.585 -1.644 1.00 0.00 H new ATOM 251 N GLU A 20 10.954 -9.978 -0.713 1.00 0.00 N ATOM 252 CA GLU A 20 10.726 -8.547 -0.550 1.00 0.00 C ATOM 253 C GLU A 20 9.233 -8.230 -0.556 1.00 0.00 C ATOM 254 O GLU A 20 8.431 -8.974 -1.120 1.00 0.00 O ATOM 255 CB GLU A 20 11.429 -7.766 -1.662 1.00 0.00 C ATOM 256 CG GLU A 20 12.945 -7.817 -1.576 1.00 0.00 C ATOM 257 CD GLU A 20 13.482 -7.148 -0.325 1.00 0.00 C ATOM 258 OE1 GLU A 20 13.415 -7.771 0.755 1.00 0.00 O ATOM 259 OE2 GLU A 20 13.968 -6.002 -0.427 1.00 0.00 O ATOM 0 H GLU A 20 11.001 -10.290 -1.683 1.00 0.00 H new ATOM 0 HA GLU A 20 11.140 -8.246 0.412 1.00 0.00 H new ATOM 0 HB2 GLU A 20 11.115 -8.162 -2.628 1.00 0.00 H new ATOM 0 HB3 GLU A 20 11.106 -6.726 -1.624 1.00 0.00 H new ATOM 0 HG2 GLU A 20 13.271 -8.857 -1.596 1.00 0.00 H new ATOM 0 HG3 GLU A 20 13.371 -7.332 -2.454 1.00 0.00 H new ATOM 266 N VAL A 21 8.867 -7.119 0.076 1.00 0.00 N ATOM 267 CA VAL A 21 7.472 -6.702 0.144 1.00 0.00 C ATOM 268 C VAL A 21 7.240 -5.428 -0.661 1.00 0.00 C ATOM 269 O VAL A 21 7.980 -4.454 -0.527 1.00 0.00 O ATOM 270 CB VAL A 21 7.027 -6.465 1.599 1.00 0.00 C ATOM 271 CG1 VAL A 21 5.581 -5.996 1.645 1.00 0.00 C ATOM 272 CG2 VAL A 21 7.213 -7.728 2.425 1.00 0.00 C ATOM 0 H VAL A 21 9.518 -6.492 0.548 1.00 0.00 H new ATOM 0 HA VAL A 21 6.879 -7.511 -0.282 1.00 0.00 H new ATOM 0 HB VAL A 21 7.652 -5.682 2.029 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.284 -5.834 2.681 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.483 -5.064 1.089 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.938 -6.754 1.198 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.894 -7.542 3.450 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.615 -8.533 1.999 1.00 0.00 H new ATOM 0 HG23 VAL A 21 8.264 -8.015 2.419 1.00 0.00 H new ATOM 282 N ILE A 22 6.207 -5.444 -1.497 1.00 0.00 N ATOM 283 CA ILE A 22 5.876 -4.289 -2.323 1.00 0.00 C ATOM 284 C ILE A 22 4.394 -3.948 -2.222 1.00 0.00 C ATOM 285 O ILE A 22 3.553 -4.829 -2.040 1.00 0.00 O ATOM 286 CB ILE A 22 6.237 -4.531 -3.800 1.00 0.00 C ATOM 287 CG1 ILE A 22 7.741 -4.769 -3.949 1.00 0.00 C ATOM 288 CG2 ILE A 22 5.795 -3.352 -4.654 1.00 0.00 C ATOM 289 CD1 ILE A 22 8.574 -3.525 -3.732 1.00 0.00 C ATOM 0 H ILE A 22 5.585 -6.243 -1.620 1.00 0.00 H new ATOM 0 HA ILE A 22 6.465 -3.453 -1.947 1.00 0.00 H new ATOM 0 HB ILE A 22 5.712 -5.422 -4.145 1.00 0.00 H new ATOM 0 HG12 ILE A 22 8.052 -5.533 -3.237 1.00 0.00 H new ATOM 0 HG13 ILE A 22 7.942 -5.161 -4.946 1.00 0.00 H new ATOM 0 HG21 ILE A 22 6.057 -3.538 -5.695 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.716 -3.225 -4.569 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.295 -2.446 -4.311 1.00 0.00 H new ATOM 0 HD11 ILE A 22 9.630 -3.768 -3.853 1.00 0.00 H new ATOM 0 HD12 ILE A 22 8.291 -2.766 -4.461 1.00 0.00 H new ATOM 0 HD13 ILE A 22 8.403 -3.143 -2.725 1.00 0.00 H new ATOM 301 N CYS A 23 4.078 -2.663 -2.344 1.00 0.00 N ATOM 302 CA CYS A 23 2.696 -2.204 -2.269 1.00 0.00 C ATOM 303 C CYS A 23 1.970 -2.444 -3.589 1.00 0.00 C ATOM 304 O CYS A 23 2.371 -1.952 -4.645 1.00 0.00 O ATOM 305 CB CYS A 23 2.650 -0.717 -1.912 1.00 0.00 C ATOM 306 SG CYS A 23 0.999 -0.120 -1.425 1.00 0.00 S ATOM 0 H CYS A 23 4.761 -1.921 -2.495 1.00 0.00 H new ATOM 0 HA CYS A 23 2.192 -2.774 -1.489 1.00 0.00 H new ATOM 0 HB2 CYS A 23 3.348 -0.528 -1.096 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.996 -0.138 -2.768 1.00 0.00 H new ATOM 311 N PRO A 24 0.877 -3.218 -3.531 1.00 0.00 N ATOM 312 CA PRO A 24 0.071 -3.540 -4.712 1.00 0.00 C ATOM 313 C PRO A 24 -0.693 -2.331 -5.241 1.00 0.00 C ATOM 314 O PRO A 24 -1.403 -2.423 -6.243 1.00 0.00 O ATOM 315 CB PRO A 24 -0.901 -4.605 -4.199 1.00 0.00 C ATOM 316 CG PRO A 24 -1.006 -4.348 -2.735 1.00 0.00 C ATOM 317 CD PRO A 24 0.342 -3.837 -2.307 1.00 0.00 C ATOM 0 HA PRO A 24 0.687 -3.873 -5.547 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -1.873 -4.522 -4.686 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -0.529 -5.610 -4.399 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -1.786 -3.617 -2.522 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -1.267 -5.259 -2.197 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.259 -3.115 -1.495 1.00 0.00 H new ATOM 0 HD3 PRO A 24 0.983 -4.644 -1.951 1.00 0.00 H new ATOM 325 N ILE A 25 -0.543 -1.199 -4.561 1.00 0.00 N ATOM 326 CA ILE A 25 -1.219 0.028 -4.964 1.00 0.00 C ATOM 327 C ILE A 25 -0.290 0.926 -5.773 1.00 0.00 C ATOM 328 O ILE A 25 -0.524 1.175 -6.956 1.00 0.00 O ATOM 329 CB ILE A 25 -1.737 0.812 -3.744 1.00 0.00 C ATOM 330 CG1 ILE A 25 -2.676 -0.063 -2.910 1.00 0.00 C ATOM 331 CG2 ILE A 25 -2.446 2.081 -4.192 1.00 0.00 C ATOM 332 CD1 ILE A 25 -2.889 0.450 -1.503 1.00 0.00 C ATOM 0 H ILE A 25 0.040 -1.106 -3.729 1.00 0.00 H new ATOM 0 HA ILE A 25 -2.066 -0.267 -5.583 1.00 0.00 H new ATOM 0 HB ILE A 25 -0.886 1.094 -3.124 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.640 -0.130 -3.414 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.271 -1.074 -2.862 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.806 2.624 -3.318 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -1.750 2.709 -4.748 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.290 1.820 -4.831 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.565 -0.219 -0.970 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.933 0.490 -0.982 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -3.323 1.449 -1.542 1.00 0.00 H new ATOM 344 N CYS A 26 0.767 1.409 -5.129 1.00 0.00 N ATOM 345 CA CYS A 26 1.734 2.279 -5.788 1.00 0.00 C ATOM 346 C CYS A 26 2.842 1.462 -6.444 1.00 0.00 C ATOM 347 O CYS A 26 3.716 2.008 -7.118 1.00 0.00 O ATOM 348 CB CYS A 26 2.337 3.261 -4.781 1.00 0.00 C ATOM 349 SG CYS A 26 2.830 2.499 -3.202 1.00 0.00 S ATOM 0 H CYS A 26 0.976 1.212 -4.150 1.00 0.00 H new ATOM 0 HA CYS A 26 1.212 2.839 -6.564 1.00 0.00 H new ATOM 0 HB2 CYS A 26 3.209 3.736 -5.231 1.00 0.00 H new ATOM 0 HB3 CYS A 26 1.612 4.050 -4.581 1.00 0.00 H new ATOM 354 N LEU A 27 2.800 0.149 -6.243 1.00 0.00 N ATOM 355 CA LEU A 27 3.801 -0.745 -6.815 1.00 0.00 C ATOM 356 C LEU A 27 5.210 -0.291 -6.449 1.00 0.00 C ATOM 357 O LEU A 27 6.105 -0.268 -7.294 1.00 0.00 O ATOM 358 CB LEU A 27 3.650 -0.804 -8.336 1.00 0.00 C ATOM 359 CG LEU A 27 2.349 -1.414 -8.859 1.00 0.00 C ATOM 360 CD1 LEU A 27 2.239 -1.227 -10.364 1.00 0.00 C ATOM 361 CD2 LEU A 27 2.268 -2.889 -8.495 1.00 0.00 C ATOM 0 H LEU A 27 2.084 -0.320 -5.688 1.00 0.00 H new ATOM 0 HA LEU A 27 3.642 -1.741 -6.401 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.736 0.209 -8.729 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.485 -1.376 -8.742 1.00 0.00 H new ATOM 0 HG LEU A 27 1.513 -0.898 -8.388 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.307 -1.667 -10.718 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.250 -0.163 -10.600 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.081 -1.716 -10.854 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.336 -3.307 -8.875 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.111 -3.420 -8.938 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.299 -2.998 -7.411 1.00 0.00 H new ATOM 373 N ASP A 28 5.401 0.067 -5.184 1.00 0.00 N ATOM 374 CA ASP A 28 6.702 0.518 -4.705 1.00 0.00 C ATOM 375 C ASP A 28 6.990 -0.036 -3.313 1.00 0.00 C ATOM 376 O ASP A 28 6.088 -0.517 -2.627 1.00 0.00 O ATOM 377 CB ASP A 28 6.760 2.046 -4.681 1.00 0.00 C ATOM 378 CG ASP A 28 6.273 2.664 -5.976 1.00 0.00 C ATOM 379 OD1 ASP A 28 6.736 2.230 -7.052 1.00 0.00 O ATOM 380 OD2 ASP A 28 5.428 3.582 -5.915 1.00 0.00 O ATOM 0 H ASP A 28 4.671 0.054 -4.472 1.00 0.00 H new ATOM 0 HA ASP A 28 7.463 0.145 -5.390 1.00 0.00 H new ATOM 0 HB2 ASP A 28 6.154 2.417 -3.854 1.00 0.00 H new ATOM 0 HB3 ASP A 28 7.785 2.365 -4.493 1.00 0.00 H new ATOM 385 N ILE A 29 8.252 0.033 -2.903 1.00 0.00 N ATOM 386 CA ILE A 29 8.658 -0.461 -1.594 1.00 0.00 C ATOM 387 C ILE A 29 7.962 0.307 -0.476 1.00 0.00 C ATOM 388 O ILE A 29 7.902 1.538 -0.497 1.00 0.00 O ATOM 389 CB ILE A 29 10.183 -0.357 -1.401 1.00 0.00 C ATOM 390 CG1 ILE A 29 10.911 -1.162 -2.479 1.00 0.00 C ATOM 391 CG2 ILE A 29 10.575 -0.844 -0.014 1.00 0.00 C ATOM 392 CD1 ILE A 29 12.401 -0.903 -2.523 1.00 0.00 C ATOM 0 H ILE A 29 9.011 0.427 -3.459 1.00 0.00 H new ATOM 0 HA ILE A 29 8.365 -1.510 -1.548 1.00 0.00 H new ATOM 0 HB ILE A 29 10.476 0.689 -1.494 1.00 0.00 H new ATOM 0 HG12 ILE A 29 10.740 -2.224 -2.305 1.00 0.00 H new ATOM 0 HG13 ILE A 29 10.480 -0.924 -3.452 1.00 0.00 H new ATOM 0 HG21 ILE A 29 11.655 -0.765 0.108 1.00 0.00 H new ATOM 0 HG22 ILE A 29 10.079 -0.233 0.740 1.00 0.00 H new ATOM 0 HG23 ILE A 29 10.272 -1.884 0.106 1.00 0.00 H new ATOM 0 HD11 ILE A 29 12.852 -1.507 -3.310 1.00 0.00 H new ATOM 0 HD12 ILE A 29 12.581 0.152 -2.727 1.00 0.00 H new ATOM 0 HD13 ILE A 29 12.845 -1.168 -1.563 1.00 0.00 H new ATOM 404 N LEU A 30 7.440 -0.425 0.502 1.00 0.00 N ATOM 405 CA LEU A 30 6.749 0.188 1.631 1.00 0.00 C ATOM 406 C LEU A 30 7.672 0.296 2.840 1.00 0.00 C ATOM 407 O LEU A 30 7.919 -0.690 3.534 1.00 0.00 O ATOM 408 CB LEU A 30 5.506 -0.626 1.996 1.00 0.00 C ATOM 409 CG LEU A 30 5.619 -2.140 1.820 1.00 0.00 C ATOM 410 CD1 LEU A 30 4.652 -2.859 2.749 1.00 0.00 C ATOM 411 CD2 LEU A 30 5.361 -2.531 0.372 1.00 0.00 C ATOM 0 H LEU A 30 7.482 -1.444 0.536 1.00 0.00 H new ATOM 0 HA LEU A 30 6.445 1.193 1.338 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.254 -0.419 3.036 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.673 -0.271 1.389 1.00 0.00 H new ATOM 0 HG LEU A 30 6.634 -2.441 2.081 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.746 -3.936 2.610 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.884 -2.605 3.783 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.631 -2.552 2.520 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.446 -3.613 0.267 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.358 -2.216 0.083 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.094 -2.045 -0.272 1.00 0.00 H new ATOM 423 N GLN A 31 8.176 1.501 3.087 1.00 0.00 N ATOM 424 CA GLN A 31 9.071 1.738 4.214 1.00 0.00 C ATOM 425 C GLN A 31 8.684 0.871 5.408 1.00 0.00 C ATOM 426 O GLN A 31 9.486 0.077 5.898 1.00 0.00 O ATOM 427 CB GLN A 31 9.046 3.215 4.611 1.00 0.00 C ATOM 428 CG GLN A 31 10.031 4.071 3.832 1.00 0.00 C ATOM 429 CD GLN A 31 9.716 5.551 3.922 1.00 0.00 C ATOM 430 OE1 GLN A 31 8.832 6.053 3.228 1.00 0.00 O ATOM 431 NE2 GLN A 31 10.441 6.259 4.781 1.00 0.00 N ATOM 0 H GLN A 31 7.980 2.328 2.522 1.00 0.00 H new ATOM 0 HA GLN A 31 10.081 1.470 3.906 1.00 0.00 H new ATOM 0 HB2 GLN A 31 8.040 3.606 4.461 1.00 0.00 H new ATOM 0 HB3 GLN A 31 9.266 3.300 5.675 1.00 0.00 H new ATOM 0 HG2 GLN A 31 11.038 3.894 4.210 1.00 0.00 H new ATOM 0 HG3 GLN A 31 10.024 3.765 2.786 1.00 0.00 H new ATOM 0 HE21 GLN A 31 11.164 5.802 5.336 1.00 0.00 H new ATOM 0 HE22 GLN A 31 10.275 7.260 4.885 1.00 0.00 H new ATOM 440 N LYS A 32 7.449 1.030 5.872 1.00 0.00 N ATOM 441 CA LYS A 32 6.954 0.262 7.008 1.00 0.00 C ATOM 442 C LYS A 32 5.840 -0.688 6.579 1.00 0.00 C ATOM 443 O LYS A 32 4.705 -0.281 6.330 1.00 0.00 O ATOM 444 CB LYS A 32 6.442 1.203 8.101 1.00 0.00 C ATOM 445 CG LYS A 32 5.518 2.292 7.584 1.00 0.00 C ATOM 446 CD LYS A 32 4.788 2.990 8.719 1.00 0.00 C ATOM 447 CE LYS A 32 5.585 4.169 9.254 1.00 0.00 C ATOM 448 NZ LYS A 32 6.670 3.733 10.176 1.00 0.00 N ATOM 0 H LYS A 32 6.772 1.684 5.478 1.00 0.00 H new ATOM 0 HA LYS A 32 7.780 -0.329 7.403 1.00 0.00 H new ATOM 0 HB2 LYS A 32 5.914 0.618 8.854 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.294 1.667 8.597 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.096 3.023 7.018 1.00 0.00 H new ATOM 0 HG3 LYS A 32 4.792 1.858 6.896 1.00 0.00 H new ATOM 0 HD2 LYS A 32 3.816 3.336 8.369 1.00 0.00 H new ATOM 0 HD3 LYS A 32 4.602 2.280 9.525 1.00 0.00 H new ATOM 0 HE2 LYS A 32 6.017 4.723 8.421 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.916 4.852 9.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.846 4.477 10.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.384 2.858 10.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.539 3.559 9.632 1.00 0.00 H new ATOM 462 N PRO A 33 6.170 -1.985 6.490 1.00 0.00 N ATOM 463 CA PRO A 33 5.210 -3.020 6.093 1.00 0.00 C ATOM 464 C PRO A 33 4.145 -3.262 7.157 1.00 0.00 C ATOM 465 O PRO A 33 4.368 -4.000 8.117 1.00 0.00 O ATOM 466 CB PRO A 33 6.084 -4.265 5.918 1.00 0.00 C ATOM 467 CG PRO A 33 7.264 -4.026 6.795 1.00 0.00 C ATOM 468 CD PRO A 33 7.504 -2.541 6.772 1.00 0.00 C ATOM 0 HA PRO A 33 4.657 -2.741 5.196 1.00 0.00 H new ATOM 0 HB2 PRO A 33 5.549 -5.168 6.211 1.00 0.00 H new ATOM 0 HB3 PRO A 33 6.384 -4.395 4.878 1.00 0.00 H new ATOM 0 HG2 PRO A 33 7.073 -4.375 7.810 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.137 -4.568 6.431 1.00 0.00 H new ATOM 0 HD2 PRO A 33 7.896 -2.182 7.724 1.00 0.00 H new ATOM 0 HD3 PRO A 33 8.226 -2.262 6.005 1.00 0.00 H new ATOM 476 N VAL A 34 2.986 -2.637 6.980 1.00 0.00 N ATOM 477 CA VAL A 34 1.885 -2.786 7.924 1.00 0.00 C ATOM 478 C VAL A 34 0.977 -3.945 7.532 1.00 0.00 C ATOM 479 O VAL A 34 0.165 -3.830 6.613 1.00 0.00 O ATOM 480 CB VAL A 34 1.044 -1.498 8.014 1.00 0.00 C ATOM 481 CG1 VAL A 34 -0.113 -1.682 8.984 1.00 0.00 C ATOM 482 CG2 VAL A 34 1.915 -0.322 8.429 1.00 0.00 C ATOM 0 H VAL A 34 2.785 -2.022 6.191 1.00 0.00 H new ATOM 0 HA VAL A 34 2.330 -2.990 8.898 1.00 0.00 H new ATOM 0 HB VAL A 34 0.630 -1.285 7.028 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.695 -0.762 9.034 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.750 -2.497 8.640 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.276 -1.919 9.974 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.305 0.580 8.488 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.359 -0.524 9.404 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.706 -0.178 7.693 1.00 0.00 H new ATOM 492 N THR A 35 1.118 -5.065 8.234 1.00 0.00 N ATOM 493 CA THR A 35 0.312 -6.247 7.959 1.00 0.00 C ATOM 494 C THR A 35 -1.113 -6.072 8.470 1.00 0.00 C ATOM 495 O THR A 35 -1.337 -5.908 9.670 1.00 0.00 O ATOM 496 CB THR A 35 0.924 -7.507 8.601 1.00 0.00 C ATOM 497 OG1 THR A 35 2.321 -7.582 8.297 1.00 0.00 O ATOM 498 CG2 THR A 35 0.224 -8.762 8.104 1.00 0.00 C ATOM 0 H THR A 35 1.784 -5.178 8.998 1.00 0.00 H new ATOM 0 HA THR A 35 0.294 -6.372 6.876 1.00 0.00 H new ATOM 0 HB THR A 35 0.790 -7.439 9.681 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.442 -7.645 7.326 1.00 0.00 H new ATOM 0 HG21 THR A 35 0.673 -9.638 8.571 1.00 0.00 H new ATOM 0 HG22 THR A 35 -0.834 -8.715 8.363 1.00 0.00 H new ATOM 0 HG23 THR A 35 0.330 -8.833 7.022 1.00 0.00 H new ATOM 506 N ILE A 36 -2.074 -6.108 7.553 1.00 0.00 N ATOM 507 CA ILE A 36 -3.479 -5.954 7.913 1.00 0.00 C ATOM 508 C ILE A 36 -4.111 -7.301 8.246 1.00 0.00 C ATOM 509 O ILE A 36 -3.614 -8.350 7.837 1.00 0.00 O ATOM 510 CB ILE A 36 -4.281 -5.290 6.778 1.00 0.00 C ATOM 511 CG1 ILE A 36 -3.631 -5.584 5.425 1.00 0.00 C ATOM 512 CG2 ILE A 36 -4.381 -3.789 7.009 1.00 0.00 C ATOM 513 CD1 ILE A 36 -4.453 -5.115 4.245 1.00 0.00 C ATOM 0 H ILE A 36 -1.906 -6.242 6.556 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.511 -5.312 8.793 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.289 -5.706 6.773 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.653 -5.105 5.389 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.464 -6.657 5.337 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.950 -3.333 6.199 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.884 -3.600 7.957 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.380 -3.358 7.036 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.931 -5.356 3.319 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.422 -5.613 4.256 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.599 -4.037 4.309 1.00 0.00 H new ATOM 525 N ASP A 37 -5.211 -7.264 8.991 1.00 0.00 N ATOM 526 CA ASP A 37 -5.914 -8.482 9.377 1.00 0.00 C ATOM 527 C ASP A 37 -6.269 -9.317 8.151 1.00 0.00 C ATOM 528 O ASP A 37 -6.615 -10.493 8.267 1.00 0.00 O ATOM 529 CB ASP A 37 -7.182 -8.137 10.160 1.00 0.00 C ATOM 530 CG ASP A 37 -8.080 -9.341 10.366 1.00 0.00 C ATOM 531 OD1 ASP A 37 -7.870 -10.076 11.354 1.00 0.00 O ATOM 532 OD2 ASP A 37 -8.994 -9.548 9.540 1.00 0.00 O ATOM 0 H ASP A 37 -5.635 -6.404 9.339 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.251 -9.069 10.013 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.906 -7.723 11.130 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.734 -7.362 9.629 1.00 0.00 H new ATOM 537 N CYS A 38 -6.182 -8.701 6.977 1.00 0.00 N ATOM 538 CA CYS A 38 -6.495 -9.386 5.729 1.00 0.00 C ATOM 539 C CYS A 38 -5.385 -10.363 5.351 1.00 0.00 C ATOM 540 O CYS A 38 -5.624 -11.354 4.662 1.00 0.00 O ATOM 541 CB CYS A 38 -6.699 -8.370 4.603 1.00 0.00 C ATOM 542 SG CYS A 38 -5.179 -7.957 3.689 1.00 0.00 S ATOM 0 H CYS A 38 -5.897 -7.728 6.864 1.00 0.00 H new ATOM 0 HA CYS A 38 -7.417 -9.949 5.874 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -7.436 -8.763 3.903 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -7.116 -7.456 5.025 1.00 0.00 H new ATOM 547 N GLY A 39 -4.170 -10.076 5.809 1.00 0.00 N ATOM 548 CA GLY A 39 -3.042 -10.939 5.510 1.00 0.00 C ATOM 549 C GLY A 39 -1.982 -10.240 4.682 1.00 0.00 C ATOM 550 O GLY A 39 -0.798 -10.275 5.018 1.00 0.00 O ATOM 0 H GLY A 39 -3.947 -9.262 6.381 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.599 -11.289 6.442 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.395 -11.820 4.974 1.00 0.00 H new ATOM 554 N HIS A 40 -2.406 -9.605 3.594 1.00 0.00 N ATOM 555 CA HIS A 40 -1.484 -8.896 2.714 1.00 0.00 C ATOM 556 C HIS A 40 -0.910 -7.664 3.408 1.00 0.00 C ATOM 557 O HIS A 40 -1.363 -7.278 4.484 1.00 0.00 O ATOM 558 CB HIS A 40 -2.193 -8.484 1.423 1.00 0.00 C ATOM 559 CG HIS A 40 -2.939 -9.604 0.766 1.00 0.00 C ATOM 560 ND1 HIS A 40 -4.315 -9.658 0.706 1.00 0.00 N ATOM 561 CD2 HIS A 40 -2.492 -10.717 0.137 1.00 0.00 C ATOM 562 CE1 HIS A 40 -4.683 -10.756 0.070 1.00 0.00 C ATOM 563 NE2 HIS A 40 -3.596 -11.416 -0.286 1.00 0.00 N ATOM 0 H HIS A 40 -3.382 -9.567 3.301 1.00 0.00 H new ATOM 0 HA HIS A 40 -0.663 -9.570 2.470 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -2.889 -7.674 1.643 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -1.456 -8.090 0.723 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -1.460 -11.002 -0.005 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -5.700 -11.062 -0.126 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -3.579 -12.301 -0.793 1.00 0.00 H new ATOM 571 N ASN A 41 0.091 -7.052 2.783 1.00 0.00 N ATOM 572 CA ASN A 41 0.729 -5.865 3.342 1.00 0.00 C ATOM 573 C ASN A 41 0.534 -4.661 2.425 1.00 0.00 C ATOM 574 O ASN A 41 0.167 -4.808 1.259 1.00 0.00 O ATOM 575 CB ASN A 41 2.222 -6.117 3.560 1.00 0.00 C ATOM 576 CG ASN A 41 2.501 -7.512 4.086 1.00 0.00 C ATOM 577 OD1 ASN A 41 2.162 -7.747 5.348 1.00 0.00 O flip ATOM 578 ND2 ASN A 41 3.016 -8.367 3.366 1.00 0.00 N flip ATOM 0 H ASN A 41 0.478 -7.358 1.890 1.00 0.00 H new ATOM 0 HA ASN A 41 0.260 -5.649 4.302 1.00 0.00 H new ATOM 0 HB2 ASN A 41 2.753 -5.973 2.619 1.00 0.00 H new ATOM 0 HB3 ASN A 41 2.613 -5.381 4.263 1.00 0.00 H new ATOM 0 HD21 ASN A 41 3.260 -8.142 2.402 1.00 0.00 H new ATOM 0 HD22 ASN A 41 3.199 -9.301 3.734 1.00 0.00 H new ATOM 585 N PHE A 42 0.782 -3.470 2.960 1.00 0.00 N ATOM 586 CA PHE A 42 0.633 -2.240 2.191 1.00 0.00 C ATOM 587 C PHE A 42 1.519 -1.134 2.758 1.00 0.00 C ATOM 588 O PHE A 42 1.964 -1.205 3.904 1.00 0.00 O ATOM 589 CB PHE A 42 -0.828 -1.788 2.189 1.00 0.00 C ATOM 590 CG PHE A 42 -1.730 -2.677 1.382 1.00 0.00 C ATOM 591 CD1 PHE A 42 -2.135 -3.907 1.875 1.00 0.00 C ATOM 592 CD2 PHE A 42 -2.172 -2.284 0.129 1.00 0.00 C ATOM 593 CE1 PHE A 42 -2.964 -4.728 1.134 1.00 0.00 C ATOM 594 CE2 PHE A 42 -3.001 -3.100 -0.617 1.00 0.00 C ATOM 595 CZ PHE A 42 -3.399 -4.323 -0.113 1.00 0.00 C ATOM 0 H PHE A 42 1.087 -3.331 3.923 1.00 0.00 H new ATOM 0 HA PHE A 42 0.944 -2.442 1.166 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -1.190 -1.753 3.216 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.885 -0.773 1.796 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -1.799 -4.228 2.850 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -1.865 -1.328 -0.269 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -3.271 -5.685 1.529 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -3.337 -2.782 -1.593 1.00 0.00 H new ATOM 0 HZ PHE A 42 -4.049 -4.961 -0.693 1.00 0.00 H new ATOM 605 N CYS A 43 1.771 -0.113 1.947 1.00 0.00 N ATOM 606 CA CYS A 43 2.604 1.009 2.365 1.00 0.00 C ATOM 607 C CYS A 43 1.777 2.051 3.112 1.00 0.00 C ATOM 608 O CYS A 43 0.666 2.388 2.703 1.00 0.00 O ATOM 609 CB CYS A 43 3.278 1.651 1.151 1.00 0.00 C ATOM 610 SG CYS A 43 2.321 3.007 0.400 1.00 0.00 S ATOM 0 H CYS A 43 1.410 -0.039 0.996 1.00 0.00 H new ATOM 0 HA CYS A 43 3.372 0.629 3.039 1.00 0.00 H new ATOM 0 HB2 CYS A 43 4.254 2.032 1.450 1.00 0.00 H new ATOM 0 HB3 CYS A 43 3.453 0.883 0.397 1.00 0.00 H new ATOM 615 N LEU A 44 2.327 2.558 4.210 1.00 0.00 N ATOM 616 CA LEU A 44 1.642 3.563 5.016 1.00 0.00 C ATOM 617 C LEU A 44 1.075 4.672 4.135 1.00 0.00 C ATOM 618 O LEU A 44 -0.087 5.056 4.272 1.00 0.00 O ATOM 619 CB LEU A 44 2.600 4.157 6.050 1.00 0.00 C ATOM 620 CG LEU A 44 1.952 4.925 7.202 1.00 0.00 C ATOM 621 CD1 LEU A 44 1.356 3.962 8.217 1.00 0.00 C ATOM 622 CD2 LEU A 44 2.966 5.844 7.867 1.00 0.00 C ATOM 0 H LEU A 44 3.246 2.290 4.563 1.00 0.00 H new ATOM 0 HA LEU A 44 0.816 3.076 5.534 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.197 3.347 6.470 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.289 4.827 5.535 1.00 0.00 H new ATOM 0 HG LEU A 44 1.147 5.538 6.797 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.899 4.527 9.030 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.598 3.346 7.733 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.143 3.322 8.617 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.487 6.383 8.685 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.793 5.251 8.258 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.345 6.557 7.135 1.00 0.00 H new ATOM 634 N LYS A 45 1.902 5.183 3.230 1.00 0.00 N ATOM 635 CA LYS A 45 1.484 6.246 2.323 1.00 0.00 C ATOM 636 C LYS A 45 0.158 5.899 1.654 1.00 0.00 C ATOM 637 O LYS A 45 -0.612 6.785 1.281 1.00 0.00 O ATOM 638 CB LYS A 45 2.556 6.489 1.259 1.00 0.00 C ATOM 639 CG LYS A 45 3.776 7.226 1.783 1.00 0.00 C ATOM 640 CD LYS A 45 5.026 6.865 0.997 1.00 0.00 C ATOM 641 CE LYS A 45 5.227 7.796 -0.188 1.00 0.00 C ATOM 642 NZ LYS A 45 4.466 7.343 -1.385 1.00 0.00 N ATOM 0 H LYS A 45 2.867 4.878 3.105 1.00 0.00 H new ATOM 0 HA LYS A 45 1.349 7.156 2.908 1.00 0.00 H new ATOM 0 HB2 LYS A 45 2.870 5.530 0.846 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.120 7.061 0.440 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.606 8.301 1.724 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.924 6.984 2.835 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.896 6.915 1.652 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.951 5.836 0.644 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.911 8.803 0.084 1.00 0.00 H new ATOM 0 HE3 LYS A 45 6.288 7.850 -0.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.025 7.529 -2.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.276 6.323 -1.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 3.565 7.860 -1.440 1.00 0.00 H new ATOM 656 N CYS A 46 -0.105 4.605 1.506 1.00 0.00 N ATOM 657 CA CYS A 46 -1.338 4.141 0.882 1.00 0.00 C ATOM 658 C CYS A 46 -2.401 3.843 1.936 1.00 0.00 C ATOM 659 O CYS A 46 -3.506 4.385 1.888 1.00 0.00 O ATOM 660 CB CYS A 46 -1.071 2.889 0.044 1.00 0.00 C ATOM 661 SG CYS A 46 -0.648 3.234 -1.694 1.00 0.00 S ATOM 0 H CYS A 46 0.520 3.859 1.810 1.00 0.00 H new ATOM 0 HA CYS A 46 -1.707 4.934 0.231 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -0.257 2.326 0.500 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -1.954 2.251 0.072 1.00 0.00 H new ATOM 666 N ILE A 47 -2.060 2.979 2.886 1.00 0.00 N ATOM 667 CA ILE A 47 -2.984 2.611 3.951 1.00 0.00 C ATOM 668 C ILE A 47 -3.612 3.847 4.585 1.00 0.00 C ATOM 669 O ILE A 47 -4.810 3.872 4.869 1.00 0.00 O ATOM 670 CB ILE A 47 -2.281 1.786 5.046 1.00 0.00 C ATOM 671 CG1 ILE A 47 -1.683 0.511 4.449 1.00 0.00 C ATOM 672 CG2 ILE A 47 -3.257 1.448 6.163 1.00 0.00 C ATOM 673 CD1 ILE A 47 -0.782 -0.239 5.406 1.00 0.00 C ATOM 0 H ILE A 47 -1.150 2.521 2.940 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.765 2.003 3.495 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.471 2.382 5.466 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.492 -0.147 4.133 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.115 0.769 3.555 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -2.746 0.865 6.929 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -3.640 2.369 6.603 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.086 0.867 5.758 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -0.394 -1.132 4.916 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.048 0.402 5.703 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.351 -0.529 6.290 1.00 0.00 H new ATOM 685 N THR A 48 -2.796 4.873 4.804 1.00 0.00 N ATOM 686 CA THR A 48 -3.271 6.113 5.404 1.00 0.00 C ATOM 687 C THR A 48 -4.061 6.943 4.399 1.00 0.00 C ATOM 688 O THR A 48 -5.182 7.368 4.676 1.00 0.00 O ATOM 689 CB THR A 48 -2.103 6.959 5.946 1.00 0.00 C ATOM 690 OG1 THR A 48 -1.390 6.225 6.948 1.00 0.00 O ATOM 691 CG2 THR A 48 -2.609 8.268 6.533 1.00 0.00 C ATOM 0 H THR A 48 -1.802 4.869 4.575 1.00 0.00 H new ATOM 0 HA THR A 48 -3.922 5.834 6.232 1.00 0.00 H new ATOM 0 HB THR A 48 -1.433 7.186 5.117 1.00 0.00 H new ATOM 0 HG1 THR A 48 -0.648 6.769 7.286 1.00 0.00 H new ATOM 0 HG21 THR A 48 -1.766 8.848 6.909 1.00 0.00 H new ATOM 0 HG22 THR A 48 -3.125 8.838 5.760 1.00 0.00 H new ATOM 0 HG23 THR A 48 -3.298 8.058 7.351 1.00 0.00 H new ATOM 699 N GLN A 49 -3.468 7.170 3.231 1.00 0.00 N ATOM 700 CA GLN A 49 -4.118 7.950 2.184 1.00 0.00 C ATOM 701 C GLN A 49 -5.497 7.384 1.860 1.00 0.00 C ATOM 702 O GLN A 49 -6.408 8.122 1.483 1.00 0.00 O ATOM 703 CB GLN A 49 -3.253 7.970 0.922 1.00 0.00 C ATOM 704 CG GLN A 49 -2.131 8.994 0.970 1.00 0.00 C ATOM 705 CD GLN A 49 -2.644 10.421 1.003 1.00 0.00 C ATOM 706 OE1 GLN A 49 -3.739 10.710 0.520 1.00 0.00 O ATOM 707 NE2 GLN A 49 -1.853 11.322 1.574 1.00 0.00 N ATOM 0 H GLN A 49 -2.540 6.825 2.986 1.00 0.00 H new ATOM 0 HA GLN A 49 -4.240 8.970 2.549 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.824 6.980 0.770 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.887 8.178 0.060 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.516 8.813 1.852 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.487 8.863 0.100 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.953 11.038 1.962 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.145 12.298 1.625 1.00 0.00 H new ATOM 716 N ILE A 50 -5.643 6.072 2.010 1.00 0.00 N ATOM 717 CA ILE A 50 -6.911 5.409 1.734 1.00 0.00 C ATOM 718 C ILE A 50 -7.842 5.480 2.940 1.00 0.00 C ATOM 719 O ILE A 50 -9.064 5.443 2.797 1.00 0.00 O ATOM 720 CB ILE A 50 -6.702 3.933 1.347 1.00 0.00 C ATOM 721 CG1 ILE A 50 -5.857 3.831 0.076 1.00 0.00 C ATOM 722 CG2 ILE A 50 -8.043 3.240 1.155 1.00 0.00 C ATOM 723 CD1 ILE A 50 -5.127 2.513 -0.060 1.00 0.00 C ATOM 0 H ILE A 50 -4.899 5.447 2.321 1.00 0.00 H new ATOM 0 HA ILE A 50 -7.366 5.935 0.895 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.169 3.433 2.156 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -6.502 3.971 -0.792 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -5.130 4.643 0.067 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -7.878 2.198 0.882 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -8.613 3.286 2.083 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -8.600 3.739 0.362 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -4.548 2.511 -0.984 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.456 2.379 0.789 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.850 1.697 -0.083 1.00 0.00 H new ATOM 735 N GLY A 51 -7.256 5.583 4.128 1.00 0.00 N ATOM 736 CA GLY A 51 -8.048 5.660 5.342 1.00 0.00 C ATOM 737 C GLY A 51 -7.888 6.987 6.056 1.00 0.00 C ATOM 738 O GLY A 51 -7.756 7.029 7.279 1.00 0.00 O ATOM 0 H GLY A 51 -6.247 5.615 4.272 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.099 5.508 5.097 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.757 4.852 6.014 1.00 0.00 H new ATOM 742 N GLU A 52 -7.898 8.074 5.290 1.00 0.00 N ATOM 743 CA GLU A 52 -7.750 9.409 5.858 1.00 0.00 C ATOM 744 C GLU A 52 -9.092 10.135 5.897 1.00 0.00 C ATOM 745 O GLU A 52 -9.328 10.984 6.758 1.00 0.00 O ATOM 746 CB GLU A 52 -6.740 10.224 5.048 1.00 0.00 C ATOM 747 CG GLU A 52 -7.318 10.814 3.772 1.00 0.00 C ATOM 748 CD GLU A 52 -6.427 11.882 3.168 1.00 0.00 C ATOM 749 OE1 GLU A 52 -5.211 11.632 3.033 1.00 0.00 O ATOM 750 OE2 GLU A 52 -6.945 12.966 2.830 1.00 0.00 O ATOM 0 H GLU A 52 -8.007 8.056 4.276 1.00 0.00 H new ATOM 0 HA GLU A 52 -7.384 9.303 6.879 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.355 11.032 5.670 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -5.893 9.587 4.793 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.469 10.017 3.044 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -8.298 11.241 3.985 1.00 0.00 H new ATOM 757 N THR A 53 -9.969 9.797 4.957 1.00 0.00 N ATOM 758 CA THR A 53 -11.286 10.417 4.882 1.00 0.00 C ATOM 759 C THR A 53 -12.371 9.464 5.371 1.00 0.00 C ATOM 760 O THR A 53 -13.452 9.893 5.773 1.00 0.00 O ATOM 761 CB THR A 53 -11.617 10.858 3.444 1.00 0.00 C ATOM 762 OG1 THR A 53 -12.946 11.388 3.388 1.00 0.00 O ATOM 763 CG2 THR A 53 -11.489 9.692 2.476 1.00 0.00 C ATOM 0 H THR A 53 -9.791 9.097 4.237 1.00 0.00 H new ATOM 0 HA THR A 53 -11.260 11.295 5.527 1.00 0.00 H new ATOM 0 HB THR A 53 -10.905 11.630 3.152 1.00 0.00 H new ATOM 0 HG1 THR A 53 -13.148 11.668 2.471 1.00 0.00 H new ATOM 0 HG21 THR A 53 -11.728 10.029 1.467 1.00 0.00 H new ATOM 0 HG22 THR A 53 -10.468 9.310 2.499 1.00 0.00 H new ATOM 0 HG23 THR A 53 -12.179 8.900 2.767 1.00 0.00 H new ATOM 771 N SER A 54 -12.074 8.169 5.335 1.00 0.00 N ATOM 772 CA SER A 54 -13.027 7.154 5.773 1.00 0.00 C ATOM 773 C SER A 54 -12.473 6.362 6.953 1.00 0.00 C ATOM 774 O SER A 54 -11.270 6.112 7.037 1.00 0.00 O ATOM 775 CB SER A 54 -13.360 6.206 4.619 1.00 0.00 C ATOM 776 OG SER A 54 -14.645 5.633 4.785 1.00 0.00 O ATOM 0 H SER A 54 -11.182 7.797 5.008 1.00 0.00 H new ATOM 0 HA SER A 54 -13.938 7.660 6.093 1.00 0.00 H new ATOM 0 HB2 SER A 54 -13.320 6.749 3.675 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.610 5.416 4.565 1.00 0.00 H new ATOM 0 HG SER A 54 -14.835 5.033 4.034 1.00 0.00 H new ATOM 782 N CYS A 55 -13.358 5.971 7.862 1.00 0.00 N ATOM 783 CA CYS A 55 -12.959 5.207 9.039 1.00 0.00 C ATOM 784 C CYS A 55 -13.941 4.071 9.309 1.00 0.00 C ATOM 785 O CYS A 55 -15.154 4.246 9.197 1.00 0.00 O ATOM 786 CB CYS A 55 -12.872 6.123 10.261 1.00 0.00 C ATOM 787 SG CYS A 55 -11.266 6.929 10.465 1.00 0.00 S ATOM 0 H CYS A 55 -14.357 6.170 7.807 1.00 0.00 H new ATOM 0 HA CYS A 55 -11.977 4.776 8.846 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -13.644 6.889 10.184 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -13.090 5.540 11.156 1.00 0.00 H new ATOM 0 HG CYS A 55 -11.291 7.684 11.523 1.00 0.00 H new ATOM 793 N GLY A 56 -13.407 2.906 9.664 1.00 0.00 N ATOM 794 CA GLY A 56 -14.250 1.758 9.942 1.00 0.00 C ATOM 795 C GLY A 56 -13.689 0.474 9.366 1.00 0.00 C ATOM 796 O GLY A 56 -12.990 -0.271 10.054 1.00 0.00 O ATOM 0 H GLY A 56 -12.406 2.737 9.764 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -14.366 1.649 11.020 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -15.244 1.933 9.531 1.00 0.00 H new ATOM 800 N PHE A 57 -13.996 0.211 8.100 1.00 0.00 N ATOM 801 CA PHE A 57 -13.520 -0.995 7.432 1.00 0.00 C ATOM 802 C PHE A 57 -12.641 -0.642 6.235 1.00 0.00 C ATOM 803 O PHE A 57 -12.960 0.261 5.461 1.00 0.00 O ATOM 804 CB PHE A 57 -14.702 -1.852 6.976 1.00 0.00 C ATOM 805 CG PHE A 57 -15.824 -1.054 6.375 1.00 0.00 C ATOM 806 CD1 PHE A 57 -15.832 -0.754 5.022 1.00 0.00 C ATOM 807 CD2 PHE A 57 -16.872 -0.605 7.163 1.00 0.00 C ATOM 808 CE1 PHE A 57 -16.863 -0.019 4.467 1.00 0.00 C ATOM 809 CE2 PHE A 57 -17.906 0.130 6.613 1.00 0.00 C ATOM 810 CZ PHE A 57 -17.902 0.422 5.263 1.00 0.00 C ATOM 0 H PHE A 57 -14.572 0.817 7.516 1.00 0.00 H new ATOM 0 HA PHE A 57 -12.923 -1.563 8.145 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -14.352 -2.580 6.244 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -15.083 -2.415 7.828 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -15.024 -1.098 4.394 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -16.881 -0.832 8.219 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -16.856 0.210 3.412 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -18.716 0.475 7.238 1.00 0.00 H new ATOM 0 HZ PHE A 57 -18.710 0.994 4.831 1.00 0.00 H new ATOM 820 N PHE A 58 -11.533 -1.361 6.090 1.00 0.00 N ATOM 821 CA PHE A 58 -10.607 -1.124 4.989 1.00 0.00 C ATOM 822 C PHE A 58 -10.641 -2.278 3.991 1.00 0.00 C ATOM 823 O PHE A 58 -10.415 -3.433 4.352 1.00 0.00 O ATOM 824 CB PHE A 58 -9.185 -0.939 5.522 1.00 0.00 C ATOM 825 CG PHE A 58 -8.136 -0.943 4.447 1.00 0.00 C ATOM 826 CD1 PHE A 58 -7.533 -2.126 4.053 1.00 0.00 C ATOM 827 CD2 PHE A 58 -7.753 0.238 3.830 1.00 0.00 C ATOM 828 CE1 PHE A 58 -6.568 -2.133 3.064 1.00 0.00 C ATOM 829 CE2 PHE A 58 -6.789 0.236 2.840 1.00 0.00 C ATOM 830 CZ PHE A 58 -6.195 -0.950 2.457 1.00 0.00 C ATOM 0 H PHE A 58 -11.255 -2.112 6.721 1.00 0.00 H new ATOM 0 HA PHE A 58 -10.917 -0.214 4.476 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -9.130 0.003 6.068 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -8.966 -1.734 6.235 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -7.820 -3.054 4.524 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -8.213 1.169 4.126 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -6.106 -3.063 2.766 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -6.500 1.162 2.366 1.00 0.00 H new ATOM 0 HZ PHE A 58 -5.440 -0.953 1.684 1.00 0.00 H new ATOM 840 N LYS A 59 -10.927 -1.957 2.734 1.00 0.00 N ATOM 841 CA LYS A 59 -10.992 -2.964 1.682 1.00 0.00 C ATOM 842 C LYS A 59 -9.597 -3.298 1.162 1.00 0.00 C ATOM 843 O LYS A 59 -8.645 -2.549 1.384 1.00 0.00 O ATOM 844 CB LYS A 59 -11.873 -2.474 0.531 1.00 0.00 C ATOM 845 CG LYS A 59 -11.220 -1.397 -0.318 1.00 0.00 C ATOM 846 CD LYS A 59 -12.255 -0.476 -0.942 1.00 0.00 C ATOM 847 CE LYS A 59 -11.617 0.497 -1.922 1.00 0.00 C ATOM 848 NZ LYS A 59 -10.747 1.489 -1.231 1.00 0.00 N ATOM 0 H LYS A 59 -11.118 -1.006 2.419 1.00 0.00 H new ATOM 0 HA LYS A 59 -11.429 -3.868 2.106 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -12.129 -3.321 -0.105 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -12.807 -2.087 0.939 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -10.535 -0.813 0.297 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -10.625 -1.863 -1.104 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -13.009 -1.071 -1.457 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -12.769 0.080 -0.158 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -11.027 -0.057 -2.652 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -12.397 1.021 -2.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -10.358 2.155 -1.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -11.307 2.012 -0.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -9.967 0.994 -0.753 1.00 0.00 H new ATOM 862 N CYS A 60 -9.483 -4.425 0.468 1.00 0.00 N ATOM 863 CA CYS A 60 -8.206 -4.858 -0.085 1.00 0.00 C ATOM 864 C CYS A 60 -8.372 -5.348 -1.520 1.00 0.00 C ATOM 865 O CYS A 60 -9.262 -6.139 -1.833 1.00 0.00 O ATOM 866 CB CYS A 60 -7.602 -5.968 0.778 1.00 0.00 C ATOM 867 SG CYS A 60 -5.990 -6.576 0.187 1.00 0.00 S ATOM 0 H CYS A 60 -10.261 -5.056 0.275 1.00 0.00 H new ATOM 0 HA CYS A 60 -7.532 -4.002 -0.088 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -7.488 -5.599 1.797 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -8.301 -6.803 0.818 1.00 0.00 H new ATOM 872 N PRO A 61 -7.495 -4.869 -2.415 1.00 0.00 N ATOM 873 CA PRO A 61 -7.523 -5.245 -3.831 1.00 0.00 C ATOM 874 C PRO A 61 -7.107 -6.695 -4.054 1.00 0.00 C ATOM 875 O PRO A 61 -7.682 -7.395 -4.889 1.00 0.00 O ATOM 876 CB PRO A 61 -6.510 -4.294 -4.471 1.00 0.00 C ATOM 877 CG PRO A 61 -5.578 -3.933 -3.366 1.00 0.00 C ATOM 878 CD PRO A 61 -6.408 -3.923 -2.112 1.00 0.00 C ATOM 0 HA PRO A 61 -8.525 -5.169 -4.253 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -5.981 -4.775 -5.294 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -7.000 -3.410 -4.880 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -4.765 -4.655 -3.290 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -5.124 -2.958 -3.541 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -5.829 -4.240 -1.245 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -6.792 -2.927 -1.892 1.00 0.00 H new ATOM 886 N LEU A 62 -6.106 -7.141 -3.303 1.00 0.00 N ATOM 887 CA LEU A 62 -5.613 -8.509 -3.419 1.00 0.00 C ATOM 888 C LEU A 62 -6.666 -9.508 -2.950 1.00 0.00 C ATOM 889 O LEU A 62 -6.934 -10.505 -3.622 1.00 0.00 O ATOM 890 CB LEU A 62 -4.332 -8.681 -2.602 1.00 0.00 C ATOM 891 CG LEU A 62 -3.239 -7.637 -2.839 1.00 0.00 C ATOM 892 CD1 LEU A 62 -2.053 -7.888 -1.921 1.00 0.00 C ATOM 893 CD2 LEU A 62 -2.800 -7.648 -4.296 1.00 0.00 C ATOM 0 H LEU A 62 -5.620 -6.575 -2.607 1.00 0.00 H new ATOM 0 HA LEU A 62 -5.396 -8.703 -4.469 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.595 -8.669 -1.544 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.918 -9.666 -2.816 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.647 -6.652 -2.610 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.286 -7.136 -2.104 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.378 -7.830 -0.882 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.644 -8.879 -2.118 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.022 -6.900 -4.447 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.410 -8.633 -4.551 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.653 -7.419 -4.935 1.00 0.00 H new ATOM 905 N CYS A 63 -7.262 -9.234 -1.795 1.00 0.00 N ATOM 906 CA CYS A 63 -8.287 -10.107 -1.236 1.00 0.00 C ATOM 907 C CYS A 63 -9.417 -10.330 -2.238 1.00 0.00 C ATOM 908 O CYS A 63 -9.938 -11.438 -2.365 1.00 0.00 O ATOM 909 CB CYS A 63 -8.848 -9.509 0.056 1.00 0.00 C ATOM 910 SG CYS A 63 -7.768 -9.729 1.506 1.00 0.00 S ATOM 0 H CYS A 63 -7.052 -8.413 -1.227 1.00 0.00 H new ATOM 0 HA CYS A 63 -7.826 -11.069 -1.013 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -9.023 -8.444 -0.095 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -9.816 -9.965 0.265 1.00 0.00 H new TER 915 CYS A 63 HETATM 916 ZN ZN A 201 1.338 2.200 -1.567 1.00 0.00 ZN HETATM 917 ZN ZN A 401 -5.784 -8.525 1.488 1.00 0.00 ZN