USER MOD reduce.3.24.130724 H: found=0, std=0, add=464, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 461 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 Single : A 1 MET CE :methyl -162:sc= -0.0434 (180deg=-0.424) USER MOD Single : A 1 MET N :NH3+ 146:sc= 0.0824 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -154:sc= -0.0155 (180deg=-0.349) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0353) USER MOD Single : A 12 THR OG1 : rot 86:sc= -0.0166 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 35 ASN : amide:sc= -1.41 K(o=-1.4,f=-2.4) USER MOD Single : A 37 TYR OH : rot 180:sc= -0.257 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.0248 X(o=-0.025,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -3.71 K(o=-3.7,f=-7.2!) USER MOD Single : A 52 TYR OH : rot -24:sc= 0.582 USER MOD Single : B 1 VAL N :NH3+ -139:sc= -0.0704 (180deg=-0.84) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.741 3.573 3.139 1.00 0.00 N ATOM 2 CA MET A 1 7.932 2.146 3.148 1.00 0.00 C ATOM 3 C MET A 1 7.599 1.650 1.742 1.00 0.00 C ATOM 4 O MET A 1 6.713 2.162 1.063 1.00 0.00 O ATOM 5 CB MET A 1 6.915 1.560 4.146 1.00 0.00 C ATOM 6 CG MET A 1 6.854 0.032 4.146 1.00 0.00 C ATOM 7 SD MET A 1 5.598 -0.588 5.281 1.00 0.00 S ATOM 8 CE MET A 1 6.383 -0.173 6.847 1.00 0.00 C ATOM 0 H1 MET A 1 7.389 3.882 4.068 1.00 0.00 H new ATOM 0 H2 MET A 1 8.647 4.043 2.938 1.00 0.00 H new ATOM 0 H3 MET A 1 7.049 3.826 2.405 1.00 0.00 H new ATOM 0 HA MET A 1 8.946 1.859 3.428 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.167 1.903 5.149 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.925 1.953 3.913 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.640 -0.323 3.138 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.827 -0.371 4.426 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.923 -0.751 7.649 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.446 -0.407 6.794 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.255 0.891 7.047 1.00 0.00 H new ATOM 18 N GLU A 2 8.397 0.622 1.380 1.00 0.00 N ATOM 19 CA GLU A 2 8.270 -0.027 0.090 1.00 0.00 C ATOM 20 C GLU A 2 7.032 -0.941 0.140 1.00 0.00 C ATOM 21 O GLU A 2 7.051 -2.050 0.659 1.00 0.00 O ATOM 22 CB GLU A 2 9.554 -0.818 -0.205 1.00 0.00 C ATOM 23 CG GLU A 2 10.834 0.033 -0.108 1.00 0.00 C ATOM 24 CD GLU A 2 12.094 -0.829 -0.309 1.00 0.00 C ATOM 25 OE1 GLU A 2 12.254 -1.818 0.408 1.00 0.00 O ATOM 26 OE2 GLU A 2 12.906 -0.499 -1.174 1.00 0.00 O ATOM 0 H GLU A 2 9.131 0.236 1.974 1.00 0.00 H new ATOM 0 HA GLU A 2 8.139 0.699 -0.713 1.00 0.00 H new ATOM 0 HB2 GLU A 2 9.627 -1.651 0.494 1.00 0.00 H new ATOM 0 HB3 GLU A 2 9.486 -1.246 -1.205 1.00 0.00 H new ATOM 0 HG2 GLU A 2 10.807 0.822 -0.859 1.00 0.00 H new ATOM 0 HG3 GLU A 2 10.876 0.521 0.866 1.00 0.00 H new ATOM 33 N ALA A 3 5.960 -0.367 -0.429 1.00 0.00 N ATOM 34 CA ALA A 3 4.656 -1.001 -0.524 1.00 0.00 C ATOM 35 C ALA A 3 4.543 -1.557 -1.940 1.00 0.00 C ATOM 36 O ALA A 3 5.003 -0.947 -2.896 1.00 0.00 O ATOM 37 CB ALA A 3 3.615 0.080 -0.243 1.00 0.00 C ATOM 0 H ALA A 3 5.986 0.566 -0.840 1.00 0.00 H new ATOM 0 HA ALA A 3 4.508 -1.816 0.185 1.00 0.00 H new ATOM 0 HB1 ALA A 3 2.616 -0.352 -0.304 1.00 0.00 H new ATOM 0 HB2 ALA A 3 3.774 0.487 0.755 1.00 0.00 H new ATOM 0 HB3 ALA A 3 3.711 0.878 -0.980 1.00 0.00 H new ATOM 43 N ILE A 4 3.927 -2.756 -2.003 1.00 0.00 N ATOM 44 CA ILE A 4 3.816 -3.436 -3.285 1.00 0.00 C ATOM 45 C ILE A 4 2.491 -4.191 -3.364 1.00 0.00 C ATOM 46 O ILE A 4 2.325 -5.257 -2.786 1.00 0.00 O ATOM 47 CB ILE A 4 4.973 -4.454 -3.419 1.00 0.00 C ATOM 48 CG1 ILE A 4 6.368 -3.793 -3.316 1.00 0.00 C ATOM 49 CG2 ILE A 4 4.864 -5.263 -4.730 1.00 0.00 C ATOM 50 CD1 ILE A 4 7.536 -4.785 -3.371 1.00 0.00 C ATOM 0 H ILE A 4 3.518 -3.248 -1.209 1.00 0.00 H new ATOM 0 HA ILE A 4 3.863 -2.697 -4.085 1.00 0.00 H new ATOM 0 HB ILE A 4 4.872 -5.136 -2.574 1.00 0.00 H new ATOM 0 HG12 ILE A 4 6.478 -3.073 -4.127 1.00 0.00 H new ATOM 0 HG13 ILE A 4 6.425 -3.233 -2.383 1.00 0.00 H new ATOM 0 HG21 ILE A 4 5.692 -5.969 -4.792 1.00 0.00 H new ATOM 0 HG22 ILE A 4 3.921 -5.809 -4.743 1.00 0.00 H new ATOM 0 HG23 ILE A 4 4.902 -4.583 -5.581 1.00 0.00 H new ATOM 0 HD11 ILE A 4 8.478 -4.242 -3.293 1.00 0.00 H new ATOM 0 HD12 ILE A 4 7.454 -5.490 -2.544 1.00 0.00 H new ATOM 0 HD13 ILE A 4 7.508 -5.328 -4.315 1.00 0.00 H new ATOM 62 N ALA A 5 1.565 -3.578 -4.120 1.00 0.00 N ATOM 63 CA ALA A 5 0.281 -4.216 -4.342 1.00 0.00 C ATOM 64 C ALA A 5 0.517 -5.479 -5.199 1.00 0.00 C ATOM 65 O ALA A 5 1.094 -5.374 -6.274 1.00 0.00 O ATOM 66 CB ALA A 5 -0.591 -3.249 -5.128 1.00 0.00 C ATOM 0 H ALA A 5 1.685 -2.671 -4.570 1.00 0.00 H new ATOM 0 HA ALA A 5 -0.196 -4.481 -3.398 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -1.565 -3.703 -5.310 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -0.720 -2.329 -4.557 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -0.113 -3.021 -6.081 1.00 0.00 H new ATOM 72 N LYS A 6 0.053 -6.657 -4.717 1.00 0.00 N ATOM 73 CA LYS A 6 0.286 -7.862 -5.529 1.00 0.00 C ATOM 74 C LYS A 6 -0.850 -8.060 -6.524 1.00 0.00 C ATOM 75 O LYS A 6 -0.656 -8.524 -7.637 1.00 0.00 O ATOM 76 CB LYS A 6 0.426 -9.187 -4.757 1.00 0.00 C ATOM 77 CG LYS A 6 1.002 -9.051 -3.360 1.00 0.00 C ATOM 78 CD LYS A 6 -0.091 -8.644 -2.385 1.00 0.00 C ATOM 79 CE LYS A 6 -0.004 -9.290 -0.997 1.00 0.00 C ATOM 80 NZ LYS A 6 -0.114 -10.745 -1.027 1.00 0.00 N ATOM 0 H LYS A 6 -0.447 -6.792 -3.838 1.00 0.00 H new ATOM 0 HA LYS A 6 1.247 -7.659 -6.001 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -0.556 -9.656 -4.686 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.060 -9.861 -5.332 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.446 -9.996 -3.047 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.799 -8.307 -3.357 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -0.064 -7.561 -2.266 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -1.057 -8.893 -2.824 1.00 0.00 H new ATOM 0 HE2 LYS A 6 0.944 -9.014 -0.535 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.796 -8.886 -0.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -0.484 -11.084 -0.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.761 -11.029 -1.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 0.824 -11.161 -1.196 1.00 0.00 H new ATOM 94 N TYR A 7 -2.044 -7.708 -6.019 1.00 0.00 N ATOM 95 CA TYR A 7 -3.259 -7.869 -6.806 1.00 0.00 C ATOM 96 C TYR A 7 -3.660 -6.521 -7.402 1.00 0.00 C ATOM 97 O TYR A 7 -3.105 -5.476 -7.084 1.00 0.00 O ATOM 98 CB TYR A 7 -4.383 -8.432 -5.920 1.00 0.00 C ATOM 99 CG TYR A 7 -3.985 -9.698 -5.206 1.00 0.00 C ATOM 100 CD1 TYR A 7 -4.155 -10.955 -5.773 1.00 0.00 C ATOM 101 CD2 TYR A 7 -3.441 -9.615 -3.936 1.00 0.00 C ATOM 102 CE1 TYR A 7 -3.804 -12.102 -5.072 1.00 0.00 C ATOM 103 CE2 TYR A 7 -3.086 -10.745 -3.222 1.00 0.00 C ATOM 104 CZ TYR A 7 -3.267 -12.010 -3.782 1.00 0.00 C ATOM 105 OH TYR A 7 -2.887 -13.149 -3.077 1.00 0.00 O ATOM 0 H TYR A 7 -2.185 -7.318 -5.087 1.00 0.00 H new ATOM 0 HA TYR A 7 -3.081 -8.572 -7.620 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -4.671 -7.681 -5.185 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -5.261 -8.628 -6.536 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -4.564 -11.041 -6.769 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -3.290 -8.643 -3.491 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -3.946 -13.072 -5.525 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -2.669 -10.648 -2.231 1.00 0.00 H new ATOM 0 HH TYR A 7 -2.535 -12.889 -2.200 1.00 0.00 H new ATOM 115 N ASP A 8 -4.655 -6.641 -8.301 1.00 0.00 N ATOM 116 CA ASP A 8 -5.218 -5.479 -8.975 1.00 0.00 C ATOM 117 C ASP A 8 -6.488 -5.084 -8.205 1.00 0.00 C ATOM 118 O ASP A 8 -7.288 -5.928 -7.823 1.00 0.00 O ATOM 119 CB ASP A 8 -5.474 -5.801 -10.458 1.00 0.00 C ATOM 120 CG ASP A 8 -6.461 -6.967 -10.647 1.00 0.00 C ATOM 121 OD1 ASP A 8 -6.067 -8.114 -10.447 1.00 0.00 O ATOM 122 OD2 ASP A 8 -7.615 -6.705 -10.987 1.00 0.00 O ATOM 0 H ASP A 8 -5.077 -7.530 -8.569 1.00 0.00 H new ATOM 0 HA ASP A 8 -4.533 -4.631 -8.975 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -5.865 -4.914 -10.957 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -4.529 -6.048 -10.941 1.00 0.00 H new ATOM 127 N PHE A 9 -6.608 -3.754 -7.991 1.00 0.00 N ATOM 128 CA PHE A 9 -7.736 -3.216 -7.249 1.00 0.00 C ATOM 129 C PHE A 9 -8.306 -1.959 -7.905 1.00 0.00 C ATOM 130 O PHE A 9 -7.665 -1.174 -8.591 1.00 0.00 O ATOM 131 CB PHE A 9 -7.271 -2.881 -5.823 1.00 0.00 C ATOM 132 CG PHE A 9 -8.400 -2.661 -4.849 1.00 0.00 C ATOM 133 CD1 PHE A 9 -9.387 -3.627 -4.739 1.00 0.00 C ATOM 134 CD2 PHE A 9 -8.484 -1.518 -4.057 1.00 0.00 C ATOM 135 CE1 PHE A 9 -10.457 -3.454 -3.880 1.00 0.00 C ATOM 136 CE2 PHE A 9 -9.543 -1.353 -3.170 1.00 0.00 C ATOM 137 CZ PHE A 9 -10.529 -2.326 -3.079 1.00 0.00 C ATOM 0 H PHE A 9 -5.942 -3.056 -8.321 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.526 -3.967 -7.236 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -6.641 -3.692 -5.457 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.651 -1.985 -5.854 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -9.320 -4.527 -5.332 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -7.723 -0.756 -4.132 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -11.237 -4.199 -3.834 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -9.598 -0.469 -2.553 1.00 0.00 H new ATOM 0 HZ PHE A 9 -11.349 -2.204 -2.387 1.00 0.00 H new ATOM 147 N LYS A 10 -9.600 -1.874 -7.582 1.00 0.00 N ATOM 148 CA LYS A 10 -10.523 -0.838 -7.974 1.00 0.00 C ATOM 149 C LYS A 10 -11.292 -0.433 -6.705 1.00 0.00 C ATOM 150 O LYS A 10 -12.182 -1.123 -6.225 1.00 0.00 O ATOM 151 CB LYS A 10 -11.417 -1.346 -9.116 1.00 0.00 C ATOM 152 CG LYS A 10 -12.433 -2.449 -8.756 1.00 0.00 C ATOM 153 CD LYS A 10 -11.832 -3.682 -8.058 1.00 0.00 C ATOM 154 CE LYS A 10 -12.786 -4.879 -7.992 1.00 0.00 C ATOM 155 NZ LYS A 10 -12.988 -5.505 -9.297 1.00 0.00 N ATOM 0 H LYS A 10 -10.047 -2.582 -7.000 1.00 0.00 H new ATOM 0 HA LYS A 10 -10.026 0.047 -8.372 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -11.966 -0.497 -9.523 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -10.774 -1.721 -9.912 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -13.198 -2.020 -8.109 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -12.933 -2.774 -9.669 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -10.925 -3.980 -8.584 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -11.537 -3.407 -7.045 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -12.389 -5.618 -7.296 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -13.748 -4.552 -7.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -13.543 -6.377 -9.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -13.499 -4.849 -9.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -12.065 -5.736 -9.718 1.00 0.00 H new ATOM 169 N ALA A 11 -10.837 0.708 -6.170 1.00 0.00 N ATOM 170 CA ALA A 11 -11.444 1.276 -4.963 1.00 0.00 C ATOM 171 C ALA A 11 -12.967 1.439 -5.076 1.00 0.00 C ATOM 172 O ALA A 11 -13.595 1.379 -6.129 1.00 0.00 O ATOM 173 CB ALA A 11 -10.861 2.638 -4.591 1.00 0.00 C ATOM 0 H ALA A 11 -10.060 1.249 -6.550 1.00 0.00 H new ATOM 0 HA ALA A 11 -11.211 0.549 -4.185 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -11.349 3.009 -3.690 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -9.791 2.538 -4.409 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -11.027 3.340 -5.408 1.00 0.00 H new ATOM 179 N THR A 12 -13.461 1.674 -3.855 1.00 0.00 N ATOM 180 CA THR A 12 -14.855 1.951 -3.581 1.00 0.00 C ATOM 181 C THR A 12 -14.975 3.489 -3.572 1.00 0.00 C ATOM 182 O THR A 12 -15.973 4.083 -3.962 1.00 0.00 O ATOM 183 CB THR A 12 -15.171 1.337 -2.189 1.00 0.00 C ATOM 184 OG1 THR A 12 -14.508 1.937 -1.035 1.00 0.00 O ATOM 185 CG2 THR A 12 -14.978 -0.202 -2.237 1.00 0.00 C ATOM 0 H THR A 12 -12.879 1.674 -3.017 1.00 0.00 H new ATOM 0 HA THR A 12 -15.551 1.532 -4.308 1.00 0.00 H new ATOM 0 HB THR A 12 -16.217 1.585 -2.007 1.00 0.00 H new ATOM 0 HG1 THR A 12 -15.034 2.699 -0.715 1.00 0.00 H new ATOM 0 HG21 THR A 12 -15.201 -0.627 -1.258 1.00 0.00 H new ATOM 0 HG22 THR A 12 -15.650 -0.630 -2.980 1.00 0.00 H new ATOM 0 HG23 THR A 12 -13.947 -0.431 -2.506 1.00 0.00 H new ATOM 193 N ALA A 13 -13.826 4.049 -3.122 1.00 0.00 N ATOM 194 CA ALA A 13 -13.503 5.450 -2.997 1.00 0.00 C ATOM 195 C ALA A 13 -14.441 6.211 -2.076 1.00 0.00 C ATOM 196 O ALA A 13 -15.434 6.828 -2.436 1.00 0.00 O ATOM 197 CB ALA A 13 -13.288 6.091 -4.363 1.00 0.00 C ATOM 0 H ALA A 13 -13.049 3.462 -2.817 1.00 0.00 H new ATOM 0 HA ALA A 13 -12.545 5.517 -2.482 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -13.046 7.146 -4.236 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -12.467 5.590 -4.875 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -14.197 5.996 -4.957 1.00 0.00 H new ATOM 203 N ASP A 14 -13.933 6.118 -0.846 1.00 0.00 N ATOM 204 CA ASP A 14 -14.446 6.706 0.359 1.00 0.00 C ATOM 205 C ASP A 14 -13.236 7.282 1.133 1.00 0.00 C ATOM 206 O ASP A 14 -13.269 7.451 2.346 1.00 0.00 O ATOM 207 CB ASP A 14 -15.151 5.564 1.091 1.00 0.00 C ATOM 208 CG ASP A 14 -16.539 5.281 0.484 1.00 0.00 C ATOM 209 OD1 ASP A 14 -17.493 5.951 0.874 1.00 0.00 O ATOM 210 OD2 ASP A 14 -16.652 4.397 -0.366 1.00 0.00 O ATOM 0 H ASP A 14 -13.083 5.582 -0.670 1.00 0.00 H new ATOM 0 HA ASP A 14 -15.152 7.523 0.214 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -14.539 4.664 1.039 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -15.258 5.817 2.146 1.00 0.00 H new ATOM 215 N ASP A 15 -12.201 7.565 0.291 1.00 0.00 N ATOM 216 CA ASP A 15 -10.856 8.106 0.540 1.00 0.00 C ATOM 217 C ASP A 15 -9.728 7.124 0.162 1.00 0.00 C ATOM 218 O ASP A 15 -8.583 7.245 0.579 1.00 0.00 O ATOM 219 CB ASP A 15 -10.733 8.845 1.866 1.00 0.00 C ATOM 220 CG ASP A 15 -10.471 8.034 3.152 1.00 0.00 C ATOM 221 OD1 ASP A 15 -10.647 6.820 3.156 1.00 0.00 O ATOM 222 OD2 ASP A 15 -10.087 8.641 4.153 1.00 0.00 O ATOM 0 H ASP A 15 -12.320 7.391 -0.707 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.696 8.916 -0.172 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -9.926 9.571 1.765 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -11.653 9.410 2.015 1.00 0.00 H new ATOM 227 N GLU A 16 -10.151 6.176 -0.694 1.00 0.00 N ATOM 228 CA GLU A 16 -9.269 5.134 -1.243 1.00 0.00 C ATOM 229 C GLU A 16 -8.862 5.461 -2.693 1.00 0.00 C ATOM 230 O GLU A 16 -9.444 6.294 -3.380 1.00 0.00 O ATOM 231 CB GLU A 16 -10.042 3.811 -1.392 1.00 0.00 C ATOM 232 CG GLU A 16 -10.257 3.078 -0.079 1.00 0.00 C ATOM 233 CD GLU A 16 -11.448 3.688 0.646 1.00 0.00 C ATOM 234 OE1 GLU A 16 -12.570 3.436 0.224 1.00 0.00 O ATOM 235 OE2 GLU A 16 -11.242 4.426 1.600 1.00 0.00 O ATOM 0 H GLU A 16 -11.114 6.112 -1.024 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.417 5.072 -0.567 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -11.011 4.016 -1.846 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.500 3.159 -2.077 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.433 2.018 -0.265 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.363 3.149 0.541 1.00 0.00 H new ATOM 242 N LEU A 17 -7.823 4.698 -3.092 1.00 0.00 N ATOM 243 CA LEU A 17 -7.318 4.735 -4.477 1.00 0.00 C ATOM 244 C LEU A 17 -7.008 3.320 -4.991 1.00 0.00 C ATOM 245 O LEU A 17 -6.826 2.356 -4.258 1.00 0.00 O ATOM 246 CB LEU A 17 -6.271 5.810 -4.807 1.00 0.00 C ATOM 247 CG LEU A 17 -4.870 5.697 -4.201 1.00 0.00 C ATOM 248 CD1 LEU A 17 -4.829 5.964 -2.733 1.00 0.00 C ATOM 249 CD2 LEU A 17 -4.037 4.470 -4.561 1.00 0.00 C ATOM 0 H LEU A 17 -7.322 4.055 -2.479 1.00 0.00 H new ATOM 0 HA LEU A 17 -8.147 5.112 -5.075 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -6.159 5.837 -5.891 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.683 6.773 -4.505 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.365 6.511 -4.720 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.805 5.866 -2.374 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.187 6.975 -2.537 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.466 5.247 -2.215 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.071 4.526 -4.060 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.560 3.569 -4.241 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.885 4.437 -5.640 1.00 0.00 H new ATOM 261 N SER A 18 -6.990 3.314 -6.333 1.00 0.00 N ATOM 262 CA SER A 18 -6.771 2.147 -7.166 1.00 0.00 C ATOM 263 C SER A 18 -5.276 1.884 -7.437 1.00 0.00 C ATOM 264 O SER A 18 -4.404 2.722 -7.252 1.00 0.00 O ATOM 265 CB SER A 18 -7.450 2.511 -8.519 1.00 0.00 C ATOM 266 OG SER A 18 -8.876 2.924 -8.567 1.00 0.00 O ATOM 0 H SER A 18 -7.135 4.163 -6.879 1.00 0.00 H new ATOM 0 HA SER A 18 -7.165 1.253 -6.682 1.00 0.00 H new ATOM 0 HB2 SER A 18 -6.868 3.318 -8.963 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.345 1.645 -9.173 1.00 0.00 H new ATOM 0 HG SER A 18 -9.130 3.115 -9.494 1.00 0.00 H new ATOM 272 N PHE A 19 -5.089 0.634 -7.909 1.00 0.00 N ATOM 273 CA PHE A 19 -3.777 0.104 -8.286 1.00 0.00 C ATOM 274 C PHE A 19 -3.996 -1.121 -9.189 1.00 0.00 C ATOM 275 O PHE A 19 -5.085 -1.673 -9.232 1.00 0.00 O ATOM 276 CB PHE A 19 -2.898 -0.224 -7.068 1.00 0.00 C ATOM 277 CG PHE A 19 -3.592 -0.997 -5.981 1.00 0.00 C ATOM 278 CD1 PHE A 19 -4.271 -0.315 -4.975 1.00 0.00 C ATOM 279 CD2 PHE A 19 -3.543 -2.390 -5.934 1.00 0.00 C ATOM 280 CE1 PHE A 19 -4.880 -1.006 -3.939 1.00 0.00 C ATOM 281 CE2 PHE A 19 -4.133 -3.075 -4.887 1.00 0.00 C ATOM 282 CZ PHE A 19 -4.802 -2.387 -3.886 1.00 0.00 C ATOM 0 H PHE A 19 -5.851 -0.032 -8.037 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.226 0.870 -8.832 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.033 -0.795 -7.405 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.521 0.708 -6.648 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.324 0.763 -5.002 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.042 -2.937 -6.719 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.416 -0.466 -3.172 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -4.072 -4.153 -4.849 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.260 -2.926 -3.069 1.00 0.00 H new ATOM 292 N LYS A 20 -2.928 -1.489 -9.925 1.00 0.00 N ATOM 293 CA LYS A 20 -3.004 -2.645 -10.821 1.00 0.00 C ATOM 294 C LYS A 20 -1.740 -3.499 -10.663 1.00 0.00 C ATOM 295 O LYS A 20 -0.670 -3.110 -11.109 1.00 0.00 O ATOM 296 CB LYS A 20 -3.121 -2.204 -12.286 1.00 0.00 C ATOM 297 CG LYS A 20 -4.377 -1.374 -12.609 1.00 0.00 C ATOM 298 CD LYS A 20 -4.059 0.040 -13.114 1.00 0.00 C ATOM 299 CE LYS A 20 -3.438 0.937 -12.037 1.00 0.00 C ATOM 300 NZ LYS A 20 -3.190 2.289 -12.523 1.00 0.00 N ATOM 0 H LYS A 20 -2.027 -1.012 -9.914 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.890 -3.221 -10.555 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.239 -1.620 -12.547 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.115 -3.091 -12.920 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.966 -1.897 -13.363 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.996 -1.302 -11.715 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.376 -0.028 -13.960 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.975 0.503 -13.480 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.102 0.979 -11.174 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.501 0.497 -11.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.770 2.860 -11.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.535 2.253 -13.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -4.087 2.720 -12.824 1.00 0.00 H new ATOM 314 N ARG A 21 -1.947 -4.678 -10.037 1.00 0.00 N ATOM 315 CA ARG A 21 -0.949 -5.711 -9.745 1.00 0.00 C ATOM 316 C ARG A 21 0.503 -5.341 -10.147 1.00 0.00 C ATOM 317 O ARG A 21 0.923 -5.510 -11.285 1.00 0.00 O ATOM 318 CB ARG A 21 -1.453 -6.985 -10.446 1.00 0.00 C ATOM 319 CG ARG A 21 -0.460 -8.160 -10.481 1.00 0.00 C ATOM 320 CD ARG A 21 0.077 -8.445 -11.890 1.00 0.00 C ATOM 321 NE ARG A 21 0.950 -9.617 -11.879 1.00 0.00 N ATOM 322 CZ ARG A 21 1.511 -10.113 -13.004 1.00 0.00 C ATOM 323 NH1 ARG A 21 1.289 -9.560 -14.191 1.00 0.00 N ATOM 324 NH2 ARG A 21 2.302 -11.173 -12.926 1.00 0.00 N ATOM 0 H ARG A 21 -2.874 -4.943 -9.705 1.00 0.00 H new ATOM 0 HA ARG A 21 -0.864 -5.847 -8.667 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.364 -7.317 -9.947 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.725 -6.731 -11.471 1.00 0.00 H new ATOM 0 HG2 ARG A 21 0.376 -7.943 -9.816 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -0.950 -9.055 -10.096 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -0.754 -8.610 -12.576 1.00 0.00 H new ATOM 0 HD3 ARG A 21 0.627 -7.579 -12.258 1.00 0.00 H new ATOM 0 HE ARG A 21 1.143 -10.078 -10.990 1.00 0.00 H new ATOM 0 HH11 ARG A 21 0.684 -8.743 -14.268 1.00 0.00 H new ATOM 0 HH12 ARG A 21 1.724 -9.953 -15.026 1.00 0.00 H new ATOM 0 HH21 ARG A 21 2.484 -11.608 -12.022 1.00 0.00 H new ATOM 0 HH22 ARG A 21 2.729 -11.554 -13.770 1.00 0.00 H new ATOM 338 N GLY A 22 1.218 -4.823 -9.127 1.00 0.00 N ATOM 339 CA GLY A 22 2.615 -4.424 -9.276 1.00 0.00 C ATOM 340 C GLY A 22 2.905 -2.948 -8.968 1.00 0.00 C ATOM 341 O GLY A 22 4.014 -2.489 -9.213 1.00 0.00 O ATOM 0 H GLY A 22 0.840 -4.675 -8.191 1.00 0.00 H new ATOM 0 HA2 GLY A 22 3.226 -5.043 -8.619 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.930 -4.635 -10.298 1.00 0.00 H new ATOM 345 N ASP A 23 1.897 -2.219 -8.425 1.00 0.00 N ATOM 346 CA ASP A 23 2.143 -0.814 -8.124 1.00 0.00 C ATOM 347 C ASP A 23 2.984 -0.697 -6.846 1.00 0.00 C ATOM 348 O ASP A 23 2.783 -1.406 -5.867 1.00 0.00 O ATOM 349 CB ASP A 23 0.836 -0.026 -7.926 1.00 0.00 C ATOM 350 CG ASP A 23 -0.009 0.147 -9.203 1.00 0.00 C ATOM 351 OD1 ASP A 23 0.071 -0.683 -10.102 1.00 0.00 O ATOM 352 OD2 ASP A 23 -0.746 1.128 -9.293 1.00 0.00 O ATOM 0 H ASP A 23 0.964 -2.567 -8.203 1.00 0.00 H new ATOM 0 HA ASP A 23 2.674 -0.390 -8.977 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.232 -0.532 -7.173 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.078 0.960 -7.530 1.00 0.00 H new ATOM 357 N ILE A 24 3.926 0.260 -6.938 1.00 0.00 N ATOM 358 CA ILE A 24 4.817 0.562 -5.826 1.00 0.00 C ATOM 359 C ILE A 24 4.272 1.853 -5.194 1.00 0.00 C ATOM 360 O ILE A 24 4.180 2.892 -5.839 1.00 0.00 O ATOM 361 CB ILE A 24 6.271 0.704 -6.308 1.00 0.00 C ATOM 362 CG1 ILE A 24 6.739 -0.587 -7.017 1.00 0.00 C ATOM 363 CG2 ILE A 24 7.204 1.046 -5.134 1.00 0.00 C ATOM 364 CD1 ILE A 24 8.100 -0.451 -7.704 1.00 0.00 C ATOM 0 H ILE A 24 4.082 0.829 -7.770 1.00 0.00 H new ATOM 0 HA ILE A 24 4.840 -0.241 -5.089 1.00 0.00 H new ATOM 0 HB ILE A 24 6.313 1.523 -7.026 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.789 -1.395 -6.287 1.00 0.00 H new ATOM 0 HG13 ILE A 24 5.994 -0.874 -7.759 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.227 1.142 -5.498 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.890 1.987 -4.682 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.157 0.252 -4.389 1.00 0.00 H new ATOM 0 HD11 ILE A 24 8.363 -1.396 -8.180 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.050 0.334 -8.459 1.00 0.00 H new ATOM 0 HD13 ILE A 24 8.857 -0.194 -6.963 1.00 0.00 H new ATOM 376 N LEU A 25 3.912 1.704 -3.902 1.00 0.00 N ATOM 377 CA LEU A 25 3.328 2.804 -3.150 1.00 0.00 C ATOM 378 C LEU A 25 4.302 3.378 -2.133 1.00 0.00 C ATOM 379 O LEU A 25 5.324 2.811 -1.766 1.00 0.00 O ATOM 380 CB LEU A 25 2.043 2.367 -2.425 1.00 0.00 C ATOM 381 CG LEU A 25 1.098 1.554 -3.308 1.00 0.00 C ATOM 382 CD1 LEU A 25 1.381 0.035 -3.338 1.00 0.00 C ATOM 383 CD2 LEU A 25 -0.356 1.785 -2.901 1.00 0.00 C ATOM 0 H LEU A 25 4.019 0.838 -3.374 1.00 0.00 H new ATOM 0 HA LEU A 25 3.086 3.578 -3.878 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.311 1.775 -1.550 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.520 3.252 -2.063 1.00 0.00 H new ATOM 0 HG LEU A 25 1.282 1.921 -4.318 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.660 -0.457 -3.991 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.389 -0.140 -3.714 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.294 -0.371 -2.330 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.011 1.196 -3.543 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.496 1.481 -1.864 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.600 2.842 -3.006 1.00 0.00 H new ATOM 395 N LYS A 26 3.846 4.569 -1.733 1.00 0.00 N ATOM 396 CA LYS A 26 4.517 5.396 -0.740 1.00 0.00 C ATOM 397 C LYS A 26 3.700 5.358 0.540 1.00 0.00 C ATOM 398 O LYS A 26 2.707 6.049 0.642 1.00 0.00 O ATOM 399 CB LYS A 26 4.675 6.810 -1.309 1.00 0.00 C ATOM 400 CG LYS A 26 5.960 6.955 -2.127 1.00 0.00 C ATOM 401 CD LYS A 26 7.193 7.181 -1.255 1.00 0.00 C ATOM 402 CE LYS A 26 7.194 8.527 -0.515 1.00 0.00 C ATOM 403 NZ LYS A 26 8.482 8.810 0.101 1.00 0.00 N ATOM 0 H LYS A 26 2.990 4.986 -2.098 1.00 0.00 H new ATOM 0 HA LYS A 26 5.516 5.028 -0.505 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.816 7.047 -1.937 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.681 7.532 -0.492 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.106 6.058 -2.729 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.852 7.790 -2.820 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.261 6.376 -0.524 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.084 7.121 -1.880 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.943 9.325 -1.214 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.419 8.520 0.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 8.439 9.727 0.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.710 8.063 0.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 9.218 8.843 -0.633 1.00 0.00 H new ATOM 417 N VAL A 27 4.183 4.624 1.560 1.00 0.00 N ATOM 418 CA VAL A 27 3.295 4.553 2.732 1.00 0.00 C ATOM 419 C VAL A 27 3.577 5.748 3.642 1.00 0.00 C ATOM 420 O VAL A 27 4.685 6.004 4.097 1.00 0.00 O ATOM 421 CB VAL A 27 3.442 3.227 3.495 1.00 0.00 C ATOM 422 CG1 VAL A 27 2.302 3.034 4.511 1.00 0.00 C ATOM 423 CG2 VAL A 27 3.479 2.034 2.530 1.00 0.00 C ATOM 0 H VAL A 27 5.073 4.127 1.605 1.00 0.00 H new ATOM 0 HA VAL A 27 2.262 4.591 2.386 1.00 0.00 H new ATOM 0 HB VAL A 27 4.387 3.273 4.036 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.436 2.087 5.033 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.315 3.851 5.232 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.346 3.027 3.988 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.584 1.110 3.098 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.554 2.003 1.954 1.00 0.00 H new ATOM 0 HG23 VAL A 27 4.326 2.141 1.852 1.00 0.00 H new ATOM 433 N LEU A 28 2.446 6.462 3.812 1.00 0.00 N ATOM 434 CA LEU A 28 2.376 7.685 4.588 1.00 0.00 C ATOM 435 C LEU A 28 1.992 7.395 6.050 1.00 0.00 C ATOM 436 O LEU A 28 2.675 7.845 6.964 1.00 0.00 O ATOM 437 CB LEU A 28 1.381 8.619 3.872 1.00 0.00 C ATOM 438 CG LEU A 28 1.253 10.018 4.500 1.00 0.00 C ATOM 439 CD1 LEU A 28 2.606 10.734 4.615 1.00 0.00 C ATOM 440 CD2 LEU A 28 0.276 10.874 3.684 1.00 0.00 C ATOM 0 H LEU A 28 1.552 6.189 3.403 1.00 0.00 H new ATOM 0 HA LEU A 28 3.349 8.174 4.645 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.689 8.728 2.832 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.399 8.146 3.866 1.00 0.00 H new ATOM 0 HG LEU A 28 0.870 9.883 5.512 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.461 11.717 5.064 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.277 10.145 5.240 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.042 10.850 3.623 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.192 11.862 4.137 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.644 10.973 2.663 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.704 10.396 3.672 1.00 0.00 H new ATOM 452 N ASN A 29 0.889 6.622 6.230 1.00 0.00 N ATOM 453 CA ASN A 29 0.471 6.325 7.606 1.00 0.00 C ATOM 454 C ASN A 29 -0.441 5.081 7.685 1.00 0.00 C ATOM 455 O ASN A 29 -1.319 4.862 6.861 1.00 0.00 O ATOM 456 CB ASN A 29 -0.263 7.559 8.168 1.00 0.00 C ATOM 457 CG ASN A 29 -0.470 7.470 9.690 1.00 0.00 C ATOM 458 OD1 ASN A 29 0.337 6.910 10.417 1.00 0.00 O ATOM 459 ND2 ASN A 29 -1.598 8.057 10.115 1.00 0.00 N ATOM 0 H ASN A 29 0.314 6.221 5.489 1.00 0.00 H new ATOM 0 HA ASN A 29 1.359 6.101 8.198 1.00 0.00 H new ATOM 0 HB2 ASN A 29 0.308 8.457 7.933 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -1.231 7.659 7.677 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -1.831 8.055 11.108 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -2.223 8.505 9.445 1.00 0.00 H new ATOM 536 N ASN A 35 -6.310 -3.384 8.378 1.00 0.00 N ATOM 537 CA ASN A 35 -6.953 -3.765 7.139 1.00 0.00 C ATOM 538 C ASN A 35 -6.780 -2.695 6.046 1.00 0.00 C ATOM 539 O ASN A 35 -6.964 -3.022 4.882 1.00 0.00 O ATOM 540 CB ASN A 35 -8.439 -4.041 7.399 1.00 0.00 C ATOM 541 CG ASN A 35 -8.711 -5.511 7.762 1.00 0.00 C ATOM 542 OD1 ASN A 35 -8.056 -6.430 7.281 1.00 0.00 O ATOM 543 ND2 ASN A 35 -9.725 -5.675 8.619 1.00 0.00 N ATOM 0 HA ASN A 35 -6.473 -4.672 6.771 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -8.788 -3.400 8.208 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.015 -3.777 6.512 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -9.998 -6.613 8.913 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -10.225 -4.862 8.979 1.00 0.00 H new ATOM 550 N TRP A 36 -6.412 -1.443 6.430 1.00 0.00 N ATOM 551 CA TRP A 36 -6.228 -0.372 5.439 1.00 0.00 C ATOM 552 C TRP A 36 -4.968 0.484 5.745 1.00 0.00 C ATOM 553 O TRP A 36 -4.747 0.973 6.843 1.00 0.00 O ATOM 554 CB TRP A 36 -7.478 0.528 5.354 1.00 0.00 C ATOM 555 CG TRP A 36 -8.710 -0.294 5.033 1.00 0.00 C ATOM 556 CD1 TRP A 36 -9.457 -1.090 5.919 1.00 0.00 C ATOM 557 CD2 TRP A 36 -9.279 -0.486 3.721 1.00 0.00 C ATOM 558 NE1 TRP A 36 -10.411 -1.747 5.215 1.00 0.00 N ATOM 559 CE2 TRP A 36 -10.335 -1.409 3.871 1.00 0.00 C ATOM 560 CE3 TRP A 36 -8.990 0.024 2.483 1.00 0.00 C ATOM 561 CZ2 TRP A 36 -11.057 -1.788 2.776 1.00 0.00 C ATOM 562 CZ3 TRP A 36 -9.729 -0.366 1.366 1.00 0.00 C ATOM 563 CH2 TRP A 36 -10.768 -1.278 1.513 1.00 0.00 C ATOM 0 H TRP A 36 -6.243 -1.164 7.396 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.081 -0.853 4.472 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -7.620 1.051 6.300 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -7.333 1.289 4.587 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -9.297 -1.166 6.984 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -11.088 -2.397 5.616 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -8.184 0.734 2.371 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -11.865 -2.495 2.891 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -9.495 0.038 0.392 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -11.346 -1.588 0.655 1.00 0.00 H new ATOM 574 N TYR A 37 -4.160 0.612 4.679 1.00 0.00 N ATOM 575 CA TYR A 37 -2.913 1.379 4.651 1.00 0.00 C ATOM 576 C TYR A 37 -3.124 2.605 3.761 1.00 0.00 C ATOM 577 O TYR A 37 -3.649 2.476 2.666 1.00 0.00 O ATOM 578 CB TYR A 37 -1.782 0.598 3.955 1.00 0.00 C ATOM 579 CG TYR A 37 -1.353 -0.656 4.653 1.00 0.00 C ATOM 580 CD1 TYR A 37 -1.308 -0.726 6.034 1.00 0.00 C ATOM 581 CD2 TYR A 37 -0.960 -1.759 3.907 1.00 0.00 C ATOM 582 CE1 TYR A 37 -0.861 -1.868 6.672 1.00 0.00 C ATOM 583 CE2 TYR A 37 -0.515 -2.913 4.528 1.00 0.00 C ATOM 584 CZ TYR A 37 -0.452 -2.976 5.923 1.00 0.00 C ATOM 585 OH TYR A 37 -0.031 -4.139 6.555 1.00 0.00 O ATOM 0 H TYR A 37 -4.368 0.167 3.785 1.00 0.00 H new ATOM 0 HA TYR A 37 -2.653 1.612 5.684 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -2.106 0.341 2.946 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -0.917 1.254 3.855 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -1.626 0.123 6.621 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -1.002 -1.716 2.829 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -0.828 -1.905 7.751 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.216 -3.765 3.935 1.00 0.00 H new ATOM 0 HH TYR A 37 0.215 -4.807 5.881 1.00 0.00 H new ATOM 595 N LYS A 38 -2.645 3.769 4.249 1.00 0.00 N ATOM 596 CA LYS A 38 -2.776 4.977 3.442 1.00 0.00 C ATOM 597 C LYS A 38 -1.413 5.202 2.781 1.00 0.00 C ATOM 598 O LYS A 38 -0.437 5.531 3.446 1.00 0.00 O ATOM 599 CB LYS A 38 -3.169 6.188 4.303 1.00 0.00 C ATOM 600 CG LYS A 38 -3.377 7.447 3.446 1.00 0.00 C ATOM 601 CD LYS A 38 -4.076 8.596 4.181 1.00 0.00 C ATOM 602 CE LYS A 38 -3.213 9.230 5.274 1.00 0.00 C ATOM 603 NZ LYS A 38 -3.811 10.459 5.789 1.00 0.00 N ATOM 0 H LYS A 38 -2.188 3.887 5.153 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.565 4.861 2.699 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.085 5.964 4.850 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.392 6.376 5.044 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.408 7.795 3.089 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -3.964 7.182 2.567 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.356 9.363 3.459 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.999 8.225 4.626 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.080 8.520 6.090 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.222 9.447 4.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -3.198 10.860 6.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -3.915 11.145 5.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.746 10.248 6.192 1.00 0.00 H new ATOM 617 N ALA A 39 -1.405 5.002 1.443 1.00 0.00 N ATOM 618 CA ALA A 39 -0.164 5.160 0.697 1.00 0.00 C ATOM 619 C ALA A 39 -0.450 6.021 -0.532 1.00 0.00 C ATOM 620 O ALA A 39 -1.600 6.193 -0.913 1.00 0.00 O ATOM 621 CB ALA A 39 0.394 3.775 0.355 1.00 0.00 C ATOM 0 H ALA A 39 -2.219 4.741 0.886 1.00 0.00 H new ATOM 0 HA ALA A 39 0.602 5.669 1.282 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.323 3.885 -0.204 1.00 0.00 H new ATOM 0 HB2 ALA A 39 0.587 3.223 1.275 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.331 3.230 -0.250 1.00 0.00 H new ATOM 627 N GLU A 40 0.647 6.544 -1.124 1.00 0.00 N ATOM 628 CA GLU A 40 0.499 7.436 -2.260 1.00 0.00 C ATOM 629 C GLU A 40 0.847 6.700 -3.554 1.00 0.00 C ATOM 630 O GLU A 40 1.811 5.947 -3.650 1.00 0.00 O ATOM 631 CB GLU A 40 1.347 8.696 -2.009 1.00 0.00 C ATOM 632 CG GLU A 40 1.268 9.722 -3.156 1.00 0.00 C ATOM 633 CD GLU A 40 2.074 10.998 -2.851 1.00 0.00 C ATOM 634 OE1 GLU A 40 3.279 10.896 -2.605 1.00 0.00 O ATOM 635 OE2 GLU A 40 1.487 12.082 -2.871 1.00 0.00 O ATOM 0 H GLU A 40 1.608 6.363 -0.835 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.535 7.762 -2.376 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.017 9.169 -1.084 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.387 8.403 -1.864 1.00 0.00 H new ATOM 0 HG2 GLU A 40 1.643 9.268 -4.074 1.00 0.00 H new ATOM 0 HG3 GLU A 40 0.226 9.986 -3.334 1.00 0.00 H new ATOM 642 N LEU A 41 -0.022 7.011 -4.528 1.00 0.00 N ATOM 643 CA LEU A 41 0.100 6.432 -5.859 1.00 0.00 C ATOM 644 C LEU A 41 -0.614 7.246 -6.892 1.00 0.00 C ATOM 645 O LEU A 41 -1.788 7.574 -6.771 1.00 0.00 O ATOM 646 CB LEU A 41 -0.742 5.144 -6.012 1.00 0.00 C ATOM 647 CG LEU A 41 -0.073 3.839 -5.666 1.00 0.00 C ATOM 648 CD1 LEU A 41 -1.141 2.749 -5.789 1.00 0.00 C ATOM 649 CD2 LEU A 41 1.022 3.560 -6.688 1.00 0.00 C ATOM 0 H LEU A 41 -0.806 7.654 -4.414 1.00 0.00 H new ATOM 0 HA LEU A 41 1.178 6.326 -5.980 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.630 5.245 -5.388 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.084 5.085 -7.045 1.00 0.00 H new ATOM 0 HG LEU A 41 0.358 3.869 -4.665 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.702 1.781 -5.547 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.958 2.960 -5.099 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.524 2.729 -6.809 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.513 2.617 -6.447 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.583 3.496 -7.684 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.755 4.367 -6.666 1.00 0.00 H new ATOM 661 N ASN A 42 0.166 7.445 -7.973 1.00 0.00 N ATOM 662 CA ASN A 42 -0.423 8.062 -9.147 1.00 0.00 C ATOM 663 C ASN A 42 -1.057 9.440 -8.837 1.00 0.00 C ATOM 664 O ASN A 42 -2.049 9.850 -9.425 1.00 0.00 O ATOM 665 CB ASN A 42 -1.389 6.945 -9.646 1.00 0.00 C ATOM 666 CG ASN A 42 -1.185 6.569 -11.109 1.00 0.00 C ATOM 667 OD1 ASN A 42 -1.497 7.301 -12.038 1.00 0.00 O ATOM 668 ND2 ASN A 42 -0.623 5.352 -11.217 1.00 0.00 N ATOM 0 H ASN A 42 1.153 7.198 -8.047 1.00 0.00 H new ATOM 0 HA ASN A 42 0.283 8.347 -9.927 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.253 6.057 -9.029 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.418 7.277 -9.505 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -0.420 4.964 -12.138 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -0.399 4.817 -10.378 1.00 0.00 H new ATOM 675 N GLY A 43 -0.403 10.100 -7.852 1.00 0.00 N ATOM 676 CA GLY A 43 -0.818 11.412 -7.374 1.00 0.00 C ATOM 677 C GLY A 43 -2.086 11.374 -6.508 1.00 0.00 C ATOM 678 O GLY A 43 -2.793 12.370 -6.403 1.00 0.00 O ATOM 0 H GLY A 43 0.420 9.729 -7.378 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.006 11.853 -6.796 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.991 12.064 -8.230 1.00 0.00 H new ATOM 682 N LYS A 44 -2.350 10.188 -5.909 1.00 0.00 N ATOM 683 CA LYS A 44 -3.520 10.013 -5.072 1.00 0.00 C ATOM 684 C LYS A 44 -3.098 9.272 -3.810 1.00 0.00 C ATOM 685 O LYS A 44 -2.662 8.130 -3.846 1.00 0.00 O ATOM 686 CB LYS A 44 -4.582 9.196 -5.825 1.00 0.00 C ATOM 687 CG LYS A 44 -5.084 9.893 -7.091 1.00 0.00 C ATOM 688 CD LYS A 44 -5.886 11.171 -6.817 1.00 0.00 C ATOM 689 CE LYS A 44 -6.243 11.904 -8.111 1.00 0.00 C ATOM 690 NZ LYS A 44 -6.946 13.155 -7.851 1.00 0.00 N ATOM 0 H LYS A 44 -1.764 9.358 -6.000 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.945 10.983 -4.814 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.164 8.225 -6.092 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.426 9.008 -5.161 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.230 10.139 -7.722 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.707 9.198 -7.655 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.799 10.919 -6.278 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.307 11.832 -6.172 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.333 12.109 -8.675 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.865 11.260 -8.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.170 13.621 -8.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.827 12.957 -7.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.343 13.780 -7.279 1.00 0.00 H new ATOM 704 N ASP A 45 -3.257 10.015 -2.705 1.00 0.00 N ATOM 705 CA ASP A 45 -2.953 9.464 -1.395 1.00 0.00 C ATOM 706 C ASP A 45 -4.317 8.974 -0.877 1.00 0.00 C ATOM 707 O ASP A 45 -5.303 9.701 -0.887 1.00 0.00 O ATOM 708 CB ASP A 45 -2.339 10.557 -0.503 1.00 0.00 C ATOM 709 CG ASP A 45 -2.090 10.054 0.930 1.00 0.00 C ATOM 710 OD1 ASP A 45 -1.419 9.035 1.086 1.00 0.00 O ATOM 711 OD2 ASP A 45 -2.572 10.686 1.871 1.00 0.00 O ATOM 0 H ASP A 45 -3.588 10.980 -2.700 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.223 8.655 -1.411 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -1.398 10.895 -0.938 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -3.005 11.419 -0.475 1.00 0.00 H new ATOM 716 N GLY A 46 -4.315 7.704 -0.448 1.00 0.00 N ATOM 717 CA GLY A 46 -5.563 7.092 -0.009 1.00 0.00 C ATOM 718 C GLY A 46 -5.334 5.701 0.554 1.00 0.00 C ATOM 719 O GLY A 46 -4.259 5.125 0.456 1.00 0.00 O ATOM 0 H GLY A 46 -3.492 7.104 -0.398 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.030 7.720 0.750 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.257 7.036 -0.848 1.00 0.00 H new ATOM 723 N PHE A 47 -6.444 5.193 1.110 1.00 0.00 N ATOM 724 CA PHE A 47 -6.431 3.882 1.734 1.00 0.00 C ATOM 725 C PHE A 47 -6.521 2.749 0.700 1.00 0.00 C ATOM 726 O PHE A 47 -7.147 2.859 -0.346 1.00 0.00 O ATOM 727 CB PHE A 47 -7.610 3.835 2.704 1.00 0.00 C ATOM 728 CG PHE A 47 -7.319 4.682 3.910 1.00 0.00 C ATOM 729 CD1 PHE A 47 -6.686 4.147 5.027 1.00 0.00 C ATOM 730 CD2 PHE A 47 -7.666 6.026 3.915 1.00 0.00 C ATOM 731 CE1 PHE A 47 -6.414 4.941 6.134 1.00 0.00 C ATOM 732 CE2 PHE A 47 -7.393 6.823 5.014 1.00 0.00 C ATOM 733 CZ PHE A 47 -6.768 6.282 6.130 1.00 0.00 C ATOM 0 H PHE A 47 -7.345 5.670 1.136 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.488 3.731 2.259 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -8.513 4.192 2.209 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -7.799 2.806 3.009 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -6.403 3.105 5.034 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -8.154 6.455 3.052 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -5.927 4.514 6.998 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -7.667 7.868 5.003 1.00 0.00 H new ATOM 0 HZ PHE A 47 -6.559 6.902 6.989 1.00 0.00 H new ATOM 743 N ILE A 48 -5.798 1.672 1.064 1.00 0.00 N ATOM 744 CA ILE A 48 -5.744 0.460 0.261 1.00 0.00 C ATOM 745 C ILE A 48 -5.741 -0.731 1.240 1.00 0.00 C ATOM 746 O ILE A 48 -5.216 -0.610 2.334 1.00 0.00 O ATOM 747 CB ILE A 48 -4.529 0.459 -0.677 1.00 0.00 C ATOM 748 CG1 ILE A 48 -3.163 0.446 0.036 1.00 0.00 C ATOM 749 CG2 ILE A 48 -4.587 1.612 -1.691 1.00 0.00 C ATOM 750 CD1 ILE A 48 -2.131 -0.295 -0.811 1.00 0.00 C ATOM 0 H ILE A 48 -5.243 1.629 1.919 1.00 0.00 H new ATOM 0 HA ILE A 48 -6.610 0.391 -0.398 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.602 -0.491 -1.206 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.829 1.468 0.216 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.258 -0.035 1.010 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.709 1.574 -2.335 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -5.487 1.517 -2.299 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -4.607 2.563 -1.159 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.171 -0.297 -0.295 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.460 -1.322 -0.969 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.025 0.204 -1.774 1.00 0.00 H new ATOM 762 N PRO A 49 -6.331 -1.887 0.843 1.00 0.00 N ATOM 763 CA PRO A 49 -6.382 -3.062 1.716 1.00 0.00 C ATOM 764 C PRO A 49 -5.010 -3.721 1.973 1.00 0.00 C ATOM 765 O PRO A 49 -4.197 -3.802 1.060 1.00 0.00 O ATOM 766 CB PRO A 49 -7.326 -4.043 1.019 1.00 0.00 C ATOM 767 CG PRO A 49 -7.655 -3.445 -0.356 1.00 0.00 C ATOM 768 CD PRO A 49 -6.984 -2.081 -0.445 1.00 0.00 C ATOM 0 HA PRO A 49 -6.725 -2.764 2.707 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.857 -5.021 0.912 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -8.234 -4.187 1.605 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -7.298 -4.099 -1.152 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -8.733 -3.349 -0.482 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.261 -2.051 -1.260 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -7.715 -1.295 -0.637 1.00 0.00 H new ATOM 776 N LYS A 50 -4.796 -4.214 3.229 1.00 0.00 N ATOM 777 CA LYS A 50 -3.497 -4.861 3.471 1.00 0.00 C ATOM 778 C LYS A 50 -3.415 -6.227 2.757 1.00 0.00 C ATOM 779 O LYS A 50 -2.326 -6.675 2.433 1.00 0.00 O ATOM 780 CB LYS A 50 -3.249 -5.175 4.959 1.00 0.00 C ATOM 781 CG LYS A 50 -3.580 -4.055 5.939 1.00 0.00 C ATOM 782 CD LYS A 50 -3.265 -4.412 7.404 1.00 0.00 C ATOM 783 CE LYS A 50 -3.720 -5.819 7.813 1.00 0.00 C ATOM 784 NZ LYS A 50 -3.563 -6.080 9.238 1.00 0.00 N ATOM 0 H LYS A 50 -5.446 -4.178 4.014 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.762 -4.148 3.099 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -3.837 -6.053 5.228 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -2.200 -5.443 5.084 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -3.020 -3.162 5.662 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -4.638 -3.807 5.852 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.190 -4.327 7.565 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -3.744 -3.682 8.057 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -4.767 -5.949 7.539 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.149 -6.557 7.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.887 -7.045 9.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.561 -5.985 9.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -4.129 -5.397 9.781 1.00 0.00 H new ATOM 798 N ASN A 51 -4.591 -6.871 2.523 1.00 0.00 N ATOM 799 CA ASN A 51 -4.553 -8.177 1.849 1.00 0.00 C ATOM 800 C ASN A 51 -4.121 -8.046 0.366 1.00 0.00 C ATOM 801 O ASN A 51 -3.640 -8.993 -0.246 1.00 0.00 O ATOM 802 CB ASN A 51 -5.822 -9.016 2.085 1.00 0.00 C ATOM 803 CG ASN A 51 -6.907 -8.788 1.043 1.00 0.00 C ATOM 804 OD1 ASN A 51 -6.668 -8.868 -0.151 1.00 0.00 O ATOM 805 ND2 ASN A 51 -8.124 -8.572 1.521 1.00 0.00 N ATOM 0 H ASN A 51 -5.517 -6.527 2.776 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.767 -8.765 2.323 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -5.553 -10.072 2.092 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -6.223 -8.783 3.071 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -8.911 -8.465 0.882 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -8.273 -8.513 2.528 1.00 0.00 H new ATOM 812 N TYR A 52 -4.253 -6.793 -0.134 1.00 0.00 N ATOM 813 CA TYR A 52 -3.907 -6.559 -1.528 1.00 0.00 C ATOM 814 C TYR A 52 -2.430 -6.120 -1.732 1.00 0.00 C ATOM 815 O TYR A 52 -2.008 -5.994 -2.874 1.00 0.00 O ATOM 816 CB TYR A 52 -4.867 -5.479 -2.067 1.00 0.00 C ATOM 817 CG TYR A 52 -6.144 -6.066 -2.615 1.00 0.00 C ATOM 818 CD1 TYR A 52 -7.086 -6.614 -1.765 1.00 0.00 C ATOM 819 CD2 TYR A 52 -6.397 -6.089 -3.978 1.00 0.00 C ATOM 820 CE1 TYR A 52 -8.235 -7.217 -2.251 1.00 0.00 C ATOM 821 CE2 TYR A 52 -7.554 -6.665 -4.489 1.00 0.00 C ATOM 822 CZ TYR A 52 -8.488 -7.262 -3.626 1.00 0.00 C ATOM 823 OH TYR A 52 -9.623 -7.936 -4.087 1.00 0.00 O ATOM 0 H TYR A 52 -4.580 -5.979 0.386 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.010 -7.497 -2.073 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -5.106 -4.778 -1.267 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.366 -4.910 -2.850 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -6.923 -6.571 -0.698 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -5.680 -5.650 -4.656 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -8.941 -7.656 -1.562 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -7.736 -6.654 -5.554 1.00 0.00 H new ATOM 0 HH TYR A 52 -9.894 -8.609 -3.428 1.00 0.00 H new ATOM 833 N ILE A 53 -1.674 -5.912 -0.619 1.00 0.00 N ATOM 834 CA ILE A 53 -0.246 -5.511 -0.672 1.00 0.00 C ATOM 835 C ILE A 53 0.624 -6.384 0.263 1.00 0.00 C ATOM 836 O ILE A 53 0.169 -6.927 1.260 1.00 0.00 O ATOM 837 CB ILE A 53 -0.040 -3.995 -0.396 1.00 0.00 C ATOM 838 CG1 ILE A 53 1.274 -3.635 0.347 1.00 0.00 C ATOM 839 CG2 ILE A 53 -1.257 -3.414 0.307 1.00 0.00 C ATOM 840 CD1 ILE A 53 1.478 -2.151 0.577 1.00 0.00 C ATOM 0 H ILE A 53 -2.035 -6.017 0.329 1.00 0.00 H new ATOM 0 HA ILE A 53 0.088 -5.687 -1.694 1.00 0.00 H new ATOM 0 HB ILE A 53 0.070 -3.531 -1.376 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.283 -4.144 1.311 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.118 -4.021 -0.225 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.097 -2.352 0.493 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.137 -3.544 -0.323 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.410 -3.930 1.255 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.420 -1.990 1.102 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.504 -1.634 -0.382 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.657 -1.760 1.177 1.00 0.00 H new ATOM 852 N GLU A 54 1.906 -6.461 -0.161 1.00 0.00 N ATOM 853 CA GLU A 54 3.004 -7.115 0.544 1.00 0.00 C ATOM 854 C GLU A 54 3.935 -5.956 0.956 1.00 0.00 C ATOM 855 O GLU A 54 4.403 -5.211 0.100 1.00 0.00 O ATOM 856 CB GLU A 54 3.772 -8.082 -0.374 1.00 0.00 C ATOM 857 CG GLU A 54 4.949 -8.762 0.356 1.00 0.00 C ATOM 858 CD GLU A 54 5.784 -9.644 -0.586 1.00 0.00 C ATOM 859 OE1 GLU A 54 6.562 -9.098 -1.369 1.00 0.00 O ATOM 860 OE2 GLU A 54 5.659 -10.866 -0.516 1.00 0.00 O ATOM 0 H GLU A 54 2.204 -6.047 -1.044 1.00 0.00 H new ATOM 0 HA GLU A 54 2.641 -7.706 1.385 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.089 -8.844 -0.749 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.149 -7.537 -1.240 1.00 0.00 H new ATOM 0 HG2 GLU A 54 5.589 -7.999 0.799 1.00 0.00 H new ATOM 0 HG3 GLU A 54 4.564 -9.370 1.175 1.00 0.00 H new ATOM 927 N VAL B 1 -7.451 -14.977 -8.375 1.00 0.00 N ATOM 928 CA VAL B 1 -8.718 -14.609 -7.743 1.00 0.00 C ATOM 929 C VAL B 1 -8.417 -13.919 -6.394 1.00 0.00 C ATOM 930 O VAL B 1 -8.351 -14.576 -5.361 1.00 0.00 O ATOM 931 CB VAL B 1 -9.587 -15.870 -7.546 1.00 0.00 C ATOM 932 CG1 VAL B 1 -10.947 -15.541 -6.911 1.00 0.00 C ATOM 933 CG2 VAL B 1 -9.806 -16.607 -8.878 1.00 0.00 C ATOM 0 H1 VAL B 1 -7.501 -14.779 -9.395 1.00 0.00 H new ATOM 0 H2 VAL B 1 -6.679 -14.423 -7.953 1.00 0.00 H new ATOM 0 H3 VAL B 1 -7.271 -15.991 -8.227 1.00 0.00 H new ATOM 0 HA VAL B 1 -9.273 -13.917 -8.376 1.00 0.00 H new ATOM 0 HB VAL B 1 -9.040 -16.519 -6.863 1.00 0.00 H new ATOM 0 HG11 VAL B 1 -11.524 -16.458 -6.791 1.00 0.00 H new ATOM 0 HG12 VAL B 1 -10.791 -15.081 -5.935 1.00 0.00 H new ATOM 0 HG13 VAL B 1 -11.492 -14.851 -7.555 1.00 0.00 H new ATOM 0 HG21 VAL B 1 -10.421 -17.491 -8.708 1.00 0.00 H new ATOM 0 HG22 VAL B 1 -10.309 -15.944 -9.582 1.00 0.00 H new ATOM 0 HG23 VAL B 1 -8.843 -16.909 -9.289 1.00 0.00 H new ATOM 943 N PRO B 2 -8.228 -12.564 -6.434 1.00 0.00 N ATOM 944 CA PRO B 2 -7.950 -11.788 -5.226 1.00 0.00 C ATOM 945 C PRO B 2 -8.974 -11.961 -4.058 1.00 0.00 C ATOM 946 O PRO B 2 -10.159 -12.167 -4.287 1.00 0.00 O ATOM 947 CB PRO B 2 -7.982 -10.342 -5.721 1.00 0.00 C ATOM 948 CG PRO B 2 -7.626 -10.394 -7.197 1.00 0.00 C ATOM 949 CD PRO B 2 -8.160 -11.746 -7.657 1.00 0.00 C ATOM 0 HA PRO B 2 -7.008 -12.119 -4.788 1.00 0.00 H new ATOM 0 HB2 PRO B 2 -8.968 -9.901 -5.573 1.00 0.00 H new ATOM 0 HB3 PRO B 2 -7.271 -9.726 -5.170 1.00 0.00 H new ATOM 0 HG2 PRO B 2 -8.087 -9.574 -7.748 1.00 0.00 H new ATOM 0 HG3 PRO B 2 -6.550 -10.316 -7.351 1.00 0.00 H new ATOM 0 HD2 PRO B 2 -9.142 -11.646 -8.120 1.00 0.00 H new ATOM 0 HD3 PRO B 2 -7.502 -12.199 -8.399 1.00 0.00 H new ATOM 957 N PRO B 3 -8.455 -11.869 -2.797 1.00 0.00 N ATOM 958 CA PRO B 3 -9.252 -11.985 -1.571 1.00 0.00 C ATOM 959 C PRO B 3 -10.407 -10.966 -1.409 1.00 0.00 C ATOM 960 O PRO B 3 -10.424 -9.916 -2.039 1.00 0.00 O ATOM 961 CB PRO B 3 -8.234 -11.651 -0.458 1.00 0.00 C ATOM 962 CG PRO B 3 -6.848 -11.916 -1.025 1.00 0.00 C ATOM 963 CD PRO B 3 -7.018 -11.794 -2.536 1.00 0.00 C ATOM 0 HA PRO B 3 -9.723 -12.968 -1.560 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -8.331 -10.611 -0.147 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -8.413 -12.265 0.425 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -6.122 -11.195 -0.649 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -6.489 -12.906 -0.746 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -6.606 -10.852 -2.898 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -6.487 -12.594 -3.052 1.00 0.00 H new ATOM 971 N PRO B 4 -11.363 -11.314 -0.495 1.00 0.00 N ATOM 972 CA PRO B 4 -12.477 -10.430 -0.149 1.00 0.00 C ATOM 973 C PRO B 4 -11.900 -9.321 0.738 1.00 0.00 C ATOM 974 O PRO B 4 -11.234 -9.549 1.740 1.00 0.00 O ATOM 975 CB PRO B 4 -13.440 -11.326 0.634 1.00 0.00 C ATOM 976 CG PRO B 4 -12.547 -12.414 1.237 1.00 0.00 C ATOM 977 CD PRO B 4 -11.407 -12.584 0.228 1.00 0.00 C ATOM 0 HA PRO B 4 -12.982 -9.967 -0.997 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -13.962 -10.766 1.410 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -14.202 -11.754 -0.017 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -12.169 -12.119 2.216 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -13.096 -13.346 1.375 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -10.461 -12.788 0.729 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -11.596 -13.418 -0.447 1.00 0.00 H new ATOM 985 N VAL B 5 -12.181 -8.111 0.248 1.00 0.00 N ATOM 986 CA VAL B 5 -11.682 -6.898 0.865 1.00 0.00 C ATOM 987 C VAL B 5 -12.342 -6.632 2.227 1.00 0.00 C ATOM 988 O VAL B 5 -13.537 -6.851 2.389 1.00 0.00 O ATOM 989 CB VAL B 5 -11.827 -5.757 -0.119 1.00 0.00 C ATOM 990 CG1 VAL B 5 -10.809 -4.633 0.127 1.00 0.00 C ATOM 991 CG2 VAL B 5 -11.625 -6.219 -1.541 1.00 0.00 C ATOM 0 H VAL B 5 -12.756 -7.954 -0.580 1.00 0.00 H new ATOM 0 HA VAL B 5 -10.622 -7.008 1.096 1.00 0.00 H new ATOM 0 HB VAL B 5 -12.840 -5.384 0.031 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -10.958 -3.841 -0.607 1.00 0.00 H new ATOM 0 HG12 VAL B 5 -10.948 -4.230 1.130 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -9.798 -5.030 0.032 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -11.737 -5.372 -2.218 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -10.625 -6.640 -1.648 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -12.367 -6.979 -1.785 1.00 0.00 H new ATOM 1001 N PRO B 6 -11.527 -6.157 3.212 1.00 0.00 N ATOM 1002 CA PRO B 6 -12.056 -5.859 4.546 1.00 0.00 C ATOM 1003 C PRO B 6 -13.135 -4.753 4.560 1.00 0.00 C ATOM 1004 O PRO B 6 -13.267 -3.988 3.618 1.00 0.00 O ATOM 1005 CB PRO B 6 -10.836 -5.344 5.319 1.00 0.00 C ATOM 1006 CG PRO B 6 -9.590 -5.724 4.515 1.00 0.00 C ATOM 1007 CD PRO B 6 -10.078 -5.926 3.087 1.00 0.00 C ATOM 0 HA PRO B 6 -12.535 -6.746 4.961 1.00 0.00 H new ATOM 0 HB2 PRO B 6 -10.893 -4.263 5.450 1.00 0.00 H new ATOM 0 HB3 PRO B 6 -10.799 -5.785 6.315 1.00 0.00 H new ATOM 0 HG2 PRO B 6 -8.835 -4.939 4.565 1.00 0.00 H new ATOM 0 HG3 PRO B 6 -9.132 -6.632 4.906 1.00 0.00 H new ATOM 0 HD2 PRO B 6 -9.869 -5.052 2.470 1.00 0.00 H new ATOM 0 HD3 PRO B 6 -9.582 -6.774 2.616 1.00 0.00 H new ATOM 1015 N PRO B 7 -13.925 -4.704 5.660 1.00 0.00 N ATOM 1016 CA PRO B 7 -14.922 -3.651 5.820 1.00 0.00 C ATOM 1017 C PRO B 7 -14.286 -2.429 6.525 1.00 0.00 C ATOM 1018 O PRO B 7 -13.972 -2.474 7.710 1.00 0.00 O ATOM 1019 CB PRO B 7 -15.949 -4.286 6.762 1.00 0.00 C ATOM 1020 CG PRO B 7 -15.138 -5.286 7.602 1.00 0.00 C ATOM 1021 CD PRO B 7 -14.031 -5.766 6.658 1.00 0.00 C ATOM 0 HA PRO B 7 -15.340 -3.309 4.873 1.00 0.00 H new ATOM 0 HB2 PRO B 7 -16.427 -3.535 7.391 1.00 0.00 H new ATOM 0 HB3 PRO B 7 -16.741 -4.787 6.205 1.00 0.00 H new ATOM 0 HG2 PRO B 7 -14.724 -4.813 8.492 1.00 0.00 H new ATOM 0 HG3 PRO B 7 -15.759 -6.115 7.941 1.00 0.00 H new ATOM 0 HD2 PRO B 7 -13.090 -5.909 7.189 1.00 0.00 H new ATOM 0 HD3 PRO B 7 -14.286 -6.721 6.198 1.00 0.00 H new ATOM 1029 N ARG B 8 -14.119 -1.338 5.742 1.00 0.00 N ATOM 1030 CA ARG B 8 -13.557 -0.122 6.342 1.00 0.00 C ATOM 1031 C ARG B 8 -14.720 0.618 7.014 1.00 0.00 C ATOM 1032 O ARG B 8 -15.553 1.238 6.366 1.00 0.00 O ATOM 1033 CB ARG B 8 -12.833 0.798 5.341 1.00 0.00 C ATOM 1034 CG ARG B 8 -13.500 0.921 3.967 1.00 0.00 C ATOM 1035 CD ARG B 8 -12.977 2.083 3.119 1.00 0.00 C ATOM 1036 NE ARG B 8 -13.183 3.388 3.752 1.00 0.00 N ATOM 1037 CZ ARG B 8 -12.220 4.079 4.401 1.00 0.00 C ATOM 1038 NH1 ARG B 8 -11.015 3.557 4.613 1.00 0.00 N ATOM 1039 NH2 ARG B 8 -12.482 5.307 4.825 1.00 0.00 N ATOM 0 H ARG B 8 -14.352 -1.278 4.751 1.00 0.00 H new ATOM 0 HA ARG B 8 -12.785 -0.411 7.055 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -12.753 1.793 5.779 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -11.817 0.429 5.202 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -13.352 -0.010 3.419 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -14.574 1.042 4.106 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -11.913 1.939 2.932 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -13.475 2.072 2.150 1.00 0.00 H new ATOM 0 HE ARG B 8 -14.114 3.802 3.699 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -10.802 2.616 4.283 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -10.304 4.098 5.105 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -13.401 5.718 4.660 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -11.765 5.841 5.316 1.00 0.00 H new