USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 487 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 Set 1.1: A 22 THR OG1 : rot -74:sc= 1.83 USER MOD Set 1.2: A 26 HIS :FLIP no HE2:sc= -2.42! C(o=-1.4!,f=-0.59!) USER MOD Single : A 1 GLY N :NH3+ -110:sc= 0.0671 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -123:sc= -0.0102 (180deg=-0.378) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 154:sc= -1.04 (180deg=-1.67!) USER MOD Single : A 21 GLN :FLIP amide:sc= -0.0761 F(o=-1.3,f=-0.076) USER MOD Single : A 30 LYS NZ :NH3+ -109:sc=-0.00668 (180deg=-0.608) USER MOD Single : A 35 LYS NZ :NH3+ 174:sc= 0.507 (180deg=0.482) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= 0.805 K(o=0.84,f=-3.8!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 55 GLN : amide:sc= -0.267 X(o=-0.27,f=-0.43) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.057) USER MOD Single : A 63 LYS NZ :NH3+ 163:sc= -0.0399 (180deg=-0.301) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.791 -28.853 -2.584 1.00 0.00 N ATOM 2 CA GLY A 1 12.537 -27.606 -2.349 1.00 0.00 C ATOM 3 C GLY A 1 11.725 -26.384 -2.713 1.00 0.00 C ATOM 4 O GLY A 1 10.741 -26.491 -3.446 1.00 0.00 O ATOM 0 H1 GLY A 1 11.547 -29.289 -1.672 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.920 -28.642 -3.111 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.379 -29.510 -3.135 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.827 -27.549 -1.300 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.457 -27.618 -2.934 1.00 0.00 H new ATOM 10 N PRO A 2 12.105 -25.204 -2.197 1.00 0.00 N ATOM 11 CA PRO A 2 11.392 -23.940 -2.447 1.00 0.00 C ATOM 12 C PRO A 2 11.376 -23.535 -3.922 1.00 0.00 C ATOM 13 O PRO A 2 12.326 -23.811 -4.670 1.00 0.00 O ATOM 14 CB PRO A 2 12.187 -22.913 -1.631 1.00 0.00 C ATOM 15 CG PRO A 2 12.914 -23.723 -0.624 1.00 0.00 C ATOM 16 CD PRO A 2 13.271 -24.992 -1.322 1.00 0.00 C ATOM 0 HA PRO A 2 10.341 -24.020 -2.169 1.00 0.00 H new ATOM 0 HB2 PRO A 2 12.876 -22.352 -2.262 1.00 0.00 H new ATOM 0 HB3 PRO A 2 11.527 -22.187 -1.156 1.00 0.00 H new ATOM 0 HG2 PRO A 2 13.805 -23.204 -0.271 1.00 0.00 H new ATOM 0 HG3 PRO A 2 12.291 -23.916 0.249 1.00 0.00 H new ATOM 0 HD2 PRO A 2 14.196 -24.897 -1.891 1.00 0.00 H new ATOM 0 HD3 PRO A 2 13.410 -25.816 -0.622 1.00 0.00 H new ATOM 24 N LEU A 3 10.293 -22.882 -4.325 1.00 0.00 N ATOM 25 CA LEU A 3 10.157 -22.333 -5.657 1.00 0.00 C ATOM 26 C LEU A 3 11.235 -21.280 -5.852 1.00 0.00 C ATOM 27 O LEU A 3 11.887 -21.225 -6.899 1.00 0.00 O ATOM 28 CB LEU A 3 8.768 -21.695 -5.816 1.00 0.00 C ATOM 29 CG LEU A 3 8.446 -21.061 -7.176 1.00 0.00 C ATOM 30 CD1 LEU A 3 8.482 -22.098 -8.288 1.00 0.00 C ATOM 31 CD2 LEU A 3 7.101 -20.355 -7.138 1.00 0.00 C ATOM 0 H LEU A 3 9.482 -22.720 -3.728 1.00 0.00 H new ATOM 0 HA LEU A 3 10.266 -23.121 -6.402 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.018 -22.460 -5.612 1.00 0.00 H new ATOM 0 HB3 LEU A 3 8.657 -20.928 -5.050 1.00 0.00 H new ATOM 0 HG LEU A 3 9.214 -20.318 -7.388 1.00 0.00 H new ATOM 0 HD11 LEU A 3 8.250 -21.619 -9.239 1.00 0.00 H new ATOM 0 HD12 LEU A 3 9.476 -22.543 -8.338 1.00 0.00 H new ATOM 0 HD13 LEU A 3 7.746 -22.876 -8.084 1.00 0.00 H new ATOM 0 HD21 LEU A 3 6.894 -19.913 -8.113 1.00 0.00 H new ATOM 0 HD22 LEU A 3 6.319 -21.074 -6.892 1.00 0.00 H new ATOM 0 HD23 LEU A 3 7.123 -19.570 -6.382 1.00 0.00 H new ATOM 43 N GLY A 4 11.411 -20.452 -4.821 1.00 0.00 N ATOM 44 CA GLY A 4 12.486 -19.479 -4.789 1.00 0.00 C ATOM 45 C GLY A 4 12.463 -18.524 -5.958 1.00 0.00 C ATOM 46 O GLY A 4 11.412 -17.982 -6.318 1.00 0.00 O ATOM 0 H GLY A 4 10.814 -20.442 -3.994 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.423 -18.909 -3.862 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.441 -20.004 -4.776 1.00 0.00 H new ATOM 50 N SER A 5 13.616 -18.321 -6.546 1.00 0.00 N ATOM 51 CA SER A 5 13.758 -17.486 -7.706 1.00 0.00 C ATOM 52 C SER A 5 14.556 -18.249 -8.761 1.00 0.00 C ATOM 53 O SER A 5 15.429 -19.051 -8.424 1.00 0.00 O ATOM 54 CB SER A 5 14.478 -16.200 -7.311 1.00 0.00 C ATOM 55 OG SER A 5 13.804 -15.572 -6.229 1.00 0.00 O ATOM 0 H SER A 5 14.491 -18.737 -6.226 1.00 0.00 H new ATOM 0 HA SER A 5 12.782 -17.226 -8.115 1.00 0.00 H new ATOM 0 HB2 SER A 5 15.507 -16.423 -7.028 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.522 -15.523 -8.164 1.00 0.00 H new ATOM 0 HG SER A 5 14.276 -14.749 -5.983 1.00 0.00 H new ATOM 61 N LYS A 6 14.254 -18.016 -10.015 1.00 0.00 N ATOM 62 CA LYS A 6 14.893 -18.733 -11.100 1.00 0.00 C ATOM 63 C LYS A 6 15.005 -17.849 -12.324 1.00 0.00 C ATOM 64 O LYS A 6 14.296 -16.846 -12.444 1.00 0.00 O ATOM 65 CB LYS A 6 14.104 -20.012 -11.463 1.00 0.00 C ATOM 66 CG LYS A 6 12.677 -19.751 -11.969 1.00 0.00 C ATOM 67 CD LYS A 6 11.656 -19.701 -10.838 1.00 0.00 C ATOM 68 CE LYS A 6 11.362 -21.092 -10.299 1.00 0.00 C ATOM 69 NZ LYS A 6 10.664 -21.931 -11.305 1.00 0.00 N ATOM 0 H LYS A 6 13.563 -17.329 -10.315 1.00 0.00 H new ATOM 0 HA LYS A 6 15.890 -19.019 -10.765 1.00 0.00 H new ATOM 0 HB2 LYS A 6 14.654 -20.559 -12.228 1.00 0.00 H new ATOM 0 HB3 LYS A 6 14.054 -20.656 -10.585 1.00 0.00 H new ATOM 0 HG2 LYS A 6 12.656 -18.808 -12.515 1.00 0.00 H new ATOM 0 HG3 LYS A 6 12.396 -20.534 -12.673 1.00 0.00 H new ATOM 0 HD2 LYS A 6 12.032 -19.069 -10.034 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.733 -19.245 -11.198 1.00 0.00 H new ATOM 0 HE2 LYS A 6 12.295 -21.574 -10.006 1.00 0.00 H new ATOM 0 HE3 LYS A 6 10.749 -21.013 -9.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 9.764 -22.270 -10.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 10.477 -21.367 -12.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 11.262 -22.745 -11.553 1.00 0.00 H new ATOM 83 N TYR A 7 15.886 -18.211 -13.222 1.00 0.00 N ATOM 84 CA TYR A 7 15.947 -17.556 -14.501 1.00 0.00 C ATOM 85 C TYR A 7 15.207 -18.399 -15.502 1.00 0.00 C ATOM 86 O TYR A 7 15.767 -19.286 -16.147 1.00 0.00 O ATOM 87 CB TYR A 7 17.388 -17.280 -14.932 1.00 0.00 C ATOM 88 CG TYR A 7 18.068 -16.275 -14.040 1.00 0.00 C ATOM 89 CD1 TYR A 7 17.960 -14.924 -14.302 1.00 0.00 C ATOM 90 CD2 TYR A 7 18.796 -16.672 -12.927 1.00 0.00 C ATOM 91 CE1 TYR A 7 18.551 -13.990 -13.486 1.00 0.00 C ATOM 92 CE2 TYR A 7 19.397 -15.740 -12.105 1.00 0.00 C ATOM 93 CZ TYR A 7 19.270 -14.399 -12.391 1.00 0.00 C ATOM 94 OH TYR A 7 19.855 -13.460 -11.572 1.00 0.00 O ATOM 0 H TYR A 7 16.570 -18.956 -13.090 1.00 0.00 H new ATOM 0 HA TYR A 7 15.470 -16.578 -14.433 1.00 0.00 H new ATOM 0 HB2 TYR A 7 17.953 -18.212 -14.922 1.00 0.00 H new ATOM 0 HB3 TYR A 7 17.394 -16.914 -15.959 1.00 0.00 H new ATOM 0 HD1 TYR A 7 17.400 -14.595 -15.165 1.00 0.00 H new ATOM 0 HD2 TYR A 7 18.894 -17.724 -12.701 1.00 0.00 H new ATOM 0 HE1 TYR A 7 18.450 -12.937 -13.706 1.00 0.00 H new ATOM 0 HE2 TYR A 7 19.963 -16.061 -11.243 1.00 0.00 H new ATOM 0 HH TYR A 7 20.327 -13.912 -10.841 1.00 0.00 H new ATOM 104 N GLU A 8 13.928 -18.150 -15.567 1.00 0.00 N ATOM 105 CA GLU A 8 13.014 -18.923 -16.352 1.00 0.00 C ATOM 106 C GLU A 8 11.937 -17.994 -16.877 1.00 0.00 C ATOM 107 O GLU A 8 11.647 -16.973 -16.251 1.00 0.00 O ATOM 108 CB GLU A 8 12.404 -20.001 -15.444 1.00 0.00 C ATOM 109 CG GLU A 8 11.467 -20.987 -16.112 1.00 0.00 C ATOM 110 CD GLU A 8 10.953 -22.011 -15.122 1.00 0.00 C ATOM 111 OE1 GLU A 8 9.980 -21.714 -14.398 1.00 0.00 O ATOM 112 OE2 GLU A 8 11.536 -23.116 -15.049 1.00 0.00 O ATOM 0 H GLU A 8 13.484 -17.383 -15.061 1.00 0.00 H new ATOM 0 HA GLU A 8 13.512 -19.402 -17.195 1.00 0.00 H new ATOM 0 HB2 GLU A 8 13.218 -20.560 -14.982 1.00 0.00 H new ATOM 0 HB3 GLU A 8 11.862 -19.504 -14.639 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.627 -20.452 -16.555 1.00 0.00 H new ATOM 0 HG3 GLU A 8 11.987 -21.493 -16.926 1.00 0.00 H new ATOM 119 N CYS A 9 11.384 -18.320 -18.025 1.00 0.00 N ATOM 120 CA CYS A 9 10.301 -17.559 -18.598 1.00 0.00 C ATOM 121 C CYS A 9 9.009 -17.962 -17.908 1.00 0.00 C ATOM 122 O CYS A 9 8.529 -19.086 -18.093 1.00 0.00 O ATOM 123 CB CYS A 9 10.228 -17.848 -20.097 1.00 0.00 C ATOM 124 SG CYS A 9 8.831 -17.091 -21.002 1.00 0.00 S ATOM 0 H CYS A 9 11.674 -19.121 -18.586 1.00 0.00 H new ATOM 0 HA CYS A 9 10.461 -16.490 -18.457 1.00 0.00 H new ATOM 0 HB2 CYS A 9 11.157 -17.509 -20.556 1.00 0.00 H new ATOM 0 HB3 CYS A 9 10.180 -18.928 -20.235 1.00 0.00 H new ATOM 129 N PRO A 10 8.431 -17.064 -17.089 1.00 0.00 N ATOM 130 CA PRO A 10 7.250 -17.381 -16.279 1.00 0.00 C ATOM 131 C PRO A 10 6.034 -17.730 -17.129 1.00 0.00 C ATOM 132 O PRO A 10 5.094 -18.347 -16.647 1.00 0.00 O ATOM 133 CB PRO A 10 6.988 -16.077 -15.509 1.00 0.00 C ATOM 134 CG PRO A 10 8.286 -15.349 -15.540 1.00 0.00 C ATOM 135 CD PRO A 10 8.896 -15.688 -16.862 1.00 0.00 C ATOM 0 HA PRO A 10 7.420 -18.251 -15.645 1.00 0.00 H new ATOM 0 HB2 PRO A 10 6.196 -15.493 -15.978 1.00 0.00 H new ATOM 0 HB3 PRO A 10 6.672 -16.279 -14.485 1.00 0.00 H new ATOM 0 HG2 PRO A 10 8.137 -14.274 -15.440 1.00 0.00 H new ATOM 0 HG3 PRO A 10 8.931 -15.659 -14.718 1.00 0.00 H new ATOM 0 HD2 PRO A 10 8.560 -15.012 -17.648 1.00 0.00 H new ATOM 0 HD3 PRO A 10 9.984 -15.628 -16.833 1.00 0.00 H new ATOM 143 N ILE A 11 6.046 -17.313 -18.383 1.00 0.00 N ATOM 144 CA ILE A 11 4.965 -17.629 -19.300 1.00 0.00 C ATOM 145 C ILE A 11 4.906 -19.132 -19.624 1.00 0.00 C ATOM 146 O ILE A 11 3.837 -19.740 -19.597 1.00 0.00 O ATOM 147 CB ILE A 11 5.039 -16.771 -20.595 1.00 0.00 C ATOM 148 CG1 ILE A 11 4.769 -15.300 -20.254 1.00 0.00 C ATOM 149 CG2 ILE A 11 4.049 -17.266 -21.650 1.00 0.00 C ATOM 150 CD1 ILE A 11 5.005 -14.341 -21.402 1.00 0.00 C ATOM 0 H ILE A 11 6.795 -16.753 -18.790 1.00 0.00 H new ATOM 0 HA ILE A 11 4.035 -17.373 -18.792 1.00 0.00 H new ATOM 0 HB ILE A 11 6.040 -16.867 -21.015 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.737 -15.200 -19.919 1.00 0.00 H new ATOM 0 HG13 ILE A 11 5.405 -15.010 -19.417 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.127 -16.644 -22.542 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.278 -18.300 -21.907 1.00 0.00 H new ATOM 0 HG23 ILE A 11 3.035 -17.207 -21.254 1.00 0.00 H new ATOM 0 HD11 ILE A 11 4.791 -13.323 -21.076 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.044 -14.408 -21.724 1.00 0.00 H new ATOM 0 HD13 ILE A 11 4.350 -14.601 -22.234 1.00 0.00 H new ATOM 162 N CYS A 12 6.055 -19.734 -19.894 1.00 0.00 N ATOM 163 CA CYS A 12 6.082 -21.124 -20.328 1.00 0.00 C ATOM 164 C CYS A 12 6.525 -22.070 -19.218 1.00 0.00 C ATOM 165 O CYS A 12 6.273 -23.276 -19.286 1.00 0.00 O ATOM 166 CB CYS A 12 6.977 -21.278 -21.560 1.00 0.00 C ATOM 167 SG CYS A 12 8.692 -20.695 -21.335 1.00 0.00 S ATOM 0 H CYS A 12 6.970 -19.289 -19.822 1.00 0.00 H new ATOM 0 HA CYS A 12 5.061 -21.402 -20.592 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.000 -22.329 -21.846 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.528 -20.731 -22.389 1.00 0.00 H new ATOM 172 N LEU A 13 7.185 -21.514 -18.201 1.00 0.00 N ATOM 173 CA LEU A 13 7.743 -22.278 -17.076 1.00 0.00 C ATOM 174 C LEU A 13 8.745 -23.333 -17.554 1.00 0.00 C ATOM 175 O LEU A 13 8.999 -24.325 -16.862 1.00 0.00 O ATOM 176 CB LEU A 13 6.643 -22.952 -16.218 1.00 0.00 C ATOM 177 CG LEU A 13 5.720 -22.032 -15.403 1.00 0.00 C ATOM 178 CD1 LEU A 13 4.657 -21.393 -16.277 1.00 0.00 C ATOM 179 CD2 LEU A 13 5.083 -22.797 -14.256 1.00 0.00 C ATOM 0 H LEU A 13 7.351 -20.510 -18.131 1.00 0.00 H new ATOM 0 HA LEU A 13 8.264 -21.555 -16.449 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.020 -23.553 -16.880 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.129 -23.640 -15.526 1.00 0.00 H new ATOM 0 HG LEU A 13 6.332 -21.230 -14.990 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.023 -20.749 -15.667 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.135 -20.799 -17.056 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.048 -22.171 -16.737 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.433 -22.130 -13.690 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.496 -23.625 -14.653 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.862 -23.186 -13.601 1.00 0.00 H new ATOM 191 N MET A 14 9.320 -23.123 -18.732 1.00 0.00 N ATOM 192 CA MET A 14 10.312 -24.049 -19.253 1.00 0.00 C ATOM 193 C MET A 14 11.712 -23.563 -18.913 1.00 0.00 C ATOM 194 O MET A 14 12.437 -24.209 -18.162 1.00 0.00 O ATOM 195 CB MET A 14 10.174 -24.226 -20.770 1.00 0.00 C ATOM 196 CG MET A 14 8.864 -24.860 -21.211 1.00 0.00 C ATOM 197 SD MET A 14 8.815 -25.208 -22.985 1.00 0.00 S ATOM 198 CE MET A 14 8.871 -23.557 -23.688 1.00 0.00 C ATOM 0 H MET A 14 9.118 -22.328 -19.338 1.00 0.00 H new ATOM 0 HA MET A 14 10.141 -25.018 -18.784 1.00 0.00 H new ATOM 0 HB2 MET A 14 10.271 -23.251 -21.248 1.00 0.00 H new ATOM 0 HB3 MET A 14 11.000 -24.840 -21.129 1.00 0.00 H new ATOM 0 HG2 MET A 14 8.711 -25.787 -20.659 1.00 0.00 H new ATOM 0 HG3 MET A 14 8.039 -24.196 -20.953 1.00 0.00 H new ATOM 0 HE1 MET A 14 9.301 -23.602 -24.689 1.00 0.00 H new ATOM 0 HE2 MET A 14 7.861 -23.151 -23.745 1.00 0.00 H new ATOM 0 HE3 MET A 14 9.486 -22.914 -23.058 1.00 0.00 H new ATOM 208 N ALA A 15 12.065 -22.419 -19.475 1.00 0.00 N ATOM 209 CA ALA A 15 13.354 -21.761 -19.289 1.00 0.00 C ATOM 210 C ALA A 15 13.345 -20.550 -20.175 1.00 0.00 C ATOM 211 O ALA A 15 12.318 -20.247 -20.765 1.00 0.00 O ATOM 212 CB ALA A 15 14.511 -22.684 -19.685 1.00 0.00 C ATOM 0 H ALA A 15 11.442 -21.902 -20.096 1.00 0.00 H new ATOM 0 HA ALA A 15 13.498 -21.497 -18.241 1.00 0.00 H new ATOM 0 HB1 ALA A 15 15.458 -22.165 -19.535 1.00 0.00 H new ATOM 0 HB2 ALA A 15 14.488 -23.582 -19.068 1.00 0.00 H new ATOM 0 HB3 ALA A 15 14.412 -22.962 -20.734 1.00 0.00 H new ATOM 218 N LEU A 16 14.445 -19.853 -20.277 1.00 0.00 N ATOM 219 CA LEU A 16 14.515 -18.775 -21.229 1.00 0.00 C ATOM 220 C LEU A 16 15.144 -19.321 -22.485 1.00 0.00 C ATOM 221 O LEU A 16 16.359 -19.523 -22.533 1.00 0.00 O ATOM 222 CB LEU A 16 15.401 -17.663 -20.678 1.00 0.00 C ATOM 223 CG LEU A 16 14.972 -17.038 -19.354 1.00 0.00 C ATOM 224 CD1 LEU A 16 16.011 -16.041 -18.889 1.00 0.00 C ATOM 225 CD2 LEU A 16 13.630 -16.354 -19.507 1.00 0.00 C ATOM 0 H LEU A 16 15.289 -20.006 -19.726 1.00 0.00 H new ATOM 0 HA LEU A 16 13.520 -18.375 -21.427 1.00 0.00 H new ATOM 0 HB2 LEU A 16 16.409 -18.060 -20.556 1.00 0.00 H new ATOM 0 HB3 LEU A 16 15.458 -16.872 -21.425 1.00 0.00 H new ATOM 0 HG LEU A 16 14.880 -17.828 -18.609 1.00 0.00 H new ATOM 0 HD11 LEU A 16 15.695 -15.601 -17.943 1.00 0.00 H new ATOM 0 HD12 LEU A 16 16.966 -16.548 -18.752 1.00 0.00 H new ATOM 0 HD13 LEU A 16 16.121 -15.255 -19.636 1.00 0.00 H new ATOM 0 HD21 LEU A 16 13.336 -15.912 -18.555 1.00 0.00 H new ATOM 0 HD22 LEU A 16 13.704 -15.572 -20.262 1.00 0.00 H new ATOM 0 HD23 LEU A 16 12.882 -17.085 -19.814 1.00 0.00 H new ATOM 237 N ARG A 17 14.332 -19.592 -23.500 1.00 0.00 N ATOM 238 CA ARG A 17 14.885 -20.128 -24.727 1.00 0.00 C ATOM 239 C ARG A 17 15.670 -19.058 -25.453 1.00 0.00 C ATOM 240 O ARG A 17 16.781 -19.290 -25.916 1.00 0.00 O ATOM 241 CB ARG A 17 13.806 -20.696 -25.646 1.00 0.00 C ATOM 242 CG ARG A 17 14.380 -21.516 -26.800 1.00 0.00 C ATOM 243 CD ARG A 17 13.290 -22.010 -27.730 1.00 0.00 C ATOM 244 NE ARG A 17 12.670 -20.915 -28.478 1.00 0.00 N ATOM 245 CZ ARG A 17 11.392 -20.888 -28.874 1.00 0.00 C ATOM 246 NH1 ARG A 17 10.541 -21.826 -28.469 1.00 0.00 N ATOM 247 NH2 ARG A 17 10.963 -19.908 -29.654 1.00 0.00 N ATOM 0 H ARG A 17 13.321 -19.454 -23.497 1.00 0.00 H new ATOM 0 HA ARG A 17 15.548 -20.949 -24.454 1.00 0.00 H new ATOM 0 HB2 ARG A 17 13.131 -21.322 -25.062 1.00 0.00 H new ATOM 0 HB3 ARG A 17 13.211 -19.877 -26.050 1.00 0.00 H new ATOM 0 HG2 ARG A 17 15.090 -20.908 -27.361 1.00 0.00 H new ATOM 0 HG3 ARG A 17 14.933 -22.367 -26.403 1.00 0.00 H new ATOM 0 HD2 ARG A 17 13.710 -22.734 -28.428 1.00 0.00 H new ATOM 0 HD3 ARG A 17 12.528 -22.531 -27.151 1.00 0.00 H new ATOM 0 HE ARG A 17 13.255 -20.114 -28.715 1.00 0.00 H new ATOM 0 HH11 ARG A 17 10.861 -22.573 -27.852 1.00 0.00 H new ATOM 0 HH12 ARG A 17 9.568 -21.799 -28.775 1.00 0.00 H new ATOM 0 HH21 ARG A 17 11.606 -19.175 -29.952 1.00 0.00 H new ATOM 0 HH22 ARG A 17 9.989 -19.886 -29.957 1.00 0.00 H new ATOM 261 N GLU A 18 15.076 -17.873 -25.526 1.00 0.00 N ATOM 262 CA GLU A 18 15.653 -16.770 -26.279 1.00 0.00 C ATOM 263 C GLU A 18 16.226 -15.731 -25.318 1.00 0.00 C ATOM 264 O GLU A 18 17.041 -14.905 -25.708 1.00 0.00 O ATOM 265 CB GLU A 18 14.540 -16.103 -27.078 1.00 0.00 C ATOM 266 CG GLU A 18 13.680 -17.072 -27.889 1.00 0.00 C ATOM 267 CD GLU A 18 14.430 -17.767 -28.995 1.00 0.00 C ATOM 268 OE1 GLU A 18 14.735 -17.122 -30.012 1.00 0.00 O ATOM 269 OE2 GLU A 18 14.675 -18.982 -28.877 1.00 0.00 O ATOM 0 H GLU A 18 14.191 -17.652 -25.070 1.00 0.00 H new ATOM 0 HA GLU A 18 16.441 -17.147 -26.931 1.00 0.00 H new ATOM 0 HB2 GLU A 18 13.897 -15.551 -26.392 1.00 0.00 H new ATOM 0 HB3 GLU A 18 14.983 -15.374 -27.756 1.00 0.00 H new ATOM 0 HG2 GLU A 18 13.262 -17.822 -27.218 1.00 0.00 H new ATOM 0 HG3 GLU A 18 12.840 -16.526 -28.319 1.00 0.00 H new ATOM 276 N ALA A 19 15.790 -15.818 -24.055 1.00 0.00 N ATOM 277 CA ALA A 19 16.154 -14.881 -22.978 1.00 0.00 C ATOM 278 C ALA A 19 16.101 -13.398 -23.392 1.00 0.00 C ATOM 279 O ALA A 19 17.085 -12.838 -23.867 1.00 0.00 O ATOM 280 CB ALA A 19 17.493 -15.238 -22.356 1.00 0.00 C ATOM 0 H ALA A 19 15.160 -16.557 -23.744 1.00 0.00 H new ATOM 0 HA ALA A 19 15.382 -14.999 -22.218 1.00 0.00 H new ATOM 0 HB1 ALA A 19 17.729 -14.525 -21.566 1.00 0.00 H new ATOM 0 HB2 ALA A 19 17.443 -16.242 -21.936 1.00 0.00 H new ATOM 0 HB3 ALA A 19 18.270 -15.203 -23.120 1.00 0.00 H new ATOM 286 N VAL A 20 14.943 -12.785 -23.219 1.00 0.00 N ATOM 287 CA VAL A 20 14.758 -11.359 -23.482 1.00 0.00 C ATOM 288 C VAL A 20 14.316 -10.613 -22.222 1.00 0.00 C ATOM 289 O VAL A 20 13.310 -10.965 -21.591 1.00 0.00 O ATOM 290 CB VAL A 20 13.809 -11.043 -24.678 1.00 0.00 C ATOM 291 CG1 VAL A 20 14.436 -11.473 -25.997 1.00 0.00 C ATOM 292 CG2 VAL A 20 12.445 -11.693 -24.501 1.00 0.00 C ATOM 0 H VAL A 20 14.100 -13.258 -22.892 1.00 0.00 H new ATOM 0 HA VAL A 20 15.740 -10.996 -23.783 1.00 0.00 H new ATOM 0 HB VAL A 20 13.662 -9.963 -24.698 1.00 0.00 H new ATOM 0 HG11 VAL A 20 13.755 -11.242 -26.816 1.00 0.00 H new ATOM 0 HG12 VAL A 20 15.375 -10.939 -26.145 1.00 0.00 H new ATOM 0 HG13 VAL A 20 14.628 -12.546 -25.976 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.812 -11.450 -25.355 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.563 -12.774 -24.434 1.00 0.00 H new ATOM 0 HG23 VAL A 20 11.981 -11.321 -23.588 1.00 0.00 H new ATOM 302 N GLN A 21 15.110 -9.635 -21.829 1.00 0.00 N ATOM 303 CA GLN A 21 14.856 -8.844 -20.645 1.00 0.00 C ATOM 304 C GLN A 21 13.815 -7.777 -20.908 1.00 0.00 C ATOM 305 O GLN A 21 13.722 -7.229 -22.015 1.00 0.00 O ATOM 306 CB GLN A 21 16.132 -8.158 -20.160 1.00 0.00 C ATOM 307 CG GLN A 21 17.191 -9.089 -19.631 1.00 0.00 C ATOM 308 CD GLN A 21 18.419 -8.339 -19.151 1.00 0.00 C ATOM 309 OE1 GLN A 21 19.372 -8.130 -20.040 1.00 0.00 O flip ATOM 310 NE2 GLN A 21 18.502 -7.939 -17.985 1.00 0.00 N flip ATOM 0 H GLN A 21 15.957 -9.367 -22.329 1.00 0.00 H new ATOM 0 HA GLN A 21 14.490 -9.531 -19.882 1.00 0.00 H new ATOM 0 HB2 GLN A 21 16.554 -7.583 -20.984 1.00 0.00 H new ATOM 0 HB3 GLN A 21 15.870 -7.447 -19.376 1.00 0.00 H new ATOM 0 HG2 GLN A 21 16.780 -9.676 -18.809 1.00 0.00 H new ATOM 0 HG3 GLN A 21 17.478 -9.793 -20.412 1.00 0.00 H new ATOM 0 HE21 GLN A 21 17.743 -8.121 -17.328 1.00 0.00 H new ATOM 0 HE22 GLN A 21 19.329 -7.427 -17.679 1.00 0.00 H new ATOM 319 N THR A 22 13.040 -7.494 -19.896 1.00 0.00 N ATOM 320 CA THR A 22 12.080 -6.429 -19.948 1.00 0.00 C ATOM 321 C THR A 22 12.526 -5.299 -19.019 1.00 0.00 C ATOM 322 O THR A 22 13.204 -5.556 -18.015 1.00 0.00 O ATOM 323 CB THR A 22 10.685 -6.923 -19.525 1.00 0.00 C ATOM 324 OG1 THR A 22 10.774 -7.558 -18.251 1.00 0.00 O ATOM 325 CG2 THR A 22 10.136 -7.916 -20.534 1.00 0.00 C ATOM 0 H THR A 22 13.058 -7.999 -19.010 1.00 0.00 H new ATOM 0 HA THR A 22 12.019 -6.067 -20.974 1.00 0.00 H new ATOM 0 HB THR A 22 10.015 -6.065 -19.474 1.00 0.00 H new ATOM 0 HG1 THR A 22 11.192 -8.438 -18.353 1.00 0.00 H new ATOM 0 HG21 THR A 22 9.149 -8.252 -20.214 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.058 -7.437 -21.510 1.00 0.00 H new ATOM 0 HG23 THR A 22 10.806 -8.773 -20.603 1.00 0.00 H new ATOM 333 N PRO A 23 12.159 -4.041 -19.326 1.00 0.00 N ATOM 334 CA PRO A 23 12.552 -2.876 -18.520 1.00 0.00 C ATOM 335 C PRO A 23 12.023 -2.917 -17.082 1.00 0.00 C ATOM 336 O PRO A 23 12.606 -2.302 -16.186 1.00 0.00 O ATOM 337 CB PRO A 23 11.951 -1.689 -19.285 1.00 0.00 C ATOM 338 CG PRO A 23 10.856 -2.291 -20.090 1.00 0.00 C ATOM 339 CD PRO A 23 11.360 -3.640 -20.497 1.00 0.00 C ATOM 0 HA PRO A 23 13.635 -2.827 -18.403 1.00 0.00 H new ATOM 0 HB2 PRO A 23 11.572 -0.927 -18.604 1.00 0.00 H new ATOM 0 HB3 PRO A 23 12.694 -1.207 -19.921 1.00 0.00 H new ATOM 0 HG2 PRO A 23 9.939 -2.373 -19.507 1.00 0.00 H new ATOM 0 HG3 PRO A 23 10.626 -1.678 -20.961 1.00 0.00 H new ATOM 0 HD2 PRO A 23 10.545 -4.337 -20.692 1.00 0.00 H new ATOM 0 HD3 PRO A 23 11.963 -3.593 -21.404 1.00 0.00 H new ATOM 347 N CYS A 24 10.927 -3.635 -16.854 1.00 0.00 N ATOM 348 CA CYS A 24 10.396 -3.759 -15.507 1.00 0.00 C ATOM 349 C CYS A 24 11.170 -4.794 -14.677 1.00 0.00 C ATOM 350 O CYS A 24 11.051 -4.837 -13.449 1.00 0.00 O ATOM 351 CB CYS A 24 8.884 -4.026 -15.516 1.00 0.00 C ATOM 352 SG CYS A 24 8.300 -5.169 -16.813 1.00 0.00 S ATOM 0 H CYS A 24 10.399 -4.131 -17.573 1.00 0.00 H new ATOM 0 HA CYS A 24 10.541 -2.799 -15.013 1.00 0.00 H new ATOM 0 HB2 CYS A 24 8.597 -4.429 -14.544 1.00 0.00 H new ATOM 0 HB3 CYS A 24 8.365 -3.075 -15.633 1.00 0.00 H new ATOM 357 N GLY A 25 11.955 -5.626 -15.354 1.00 0.00 N ATOM 358 CA GLY A 25 12.831 -6.547 -14.654 1.00 0.00 C ATOM 359 C GLY A 25 12.367 -7.991 -14.679 1.00 0.00 C ATOM 360 O GLY A 25 12.381 -8.670 -13.656 1.00 0.00 O ATOM 0 H GLY A 25 12.000 -5.679 -16.372 1.00 0.00 H new ATOM 0 HA2 GLY A 25 13.826 -6.490 -15.095 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.923 -6.225 -13.617 1.00 0.00 H new ATOM 364 N HIS A 26 11.945 -8.462 -15.829 1.00 0.00 N ATOM 365 CA HIS A 26 11.565 -9.866 -15.978 1.00 0.00 C ATOM 366 C HIS A 26 12.207 -10.401 -17.235 1.00 0.00 C ATOM 367 O HIS A 26 12.422 -9.650 -18.188 1.00 0.00 O ATOM 368 CB HIS A 26 10.050 -10.046 -16.112 1.00 0.00 C ATOM 369 CG HIS A 26 9.224 -9.231 -15.181 1.00 0.00 C ATOM 370 ND1 HIS A 26 8.704 -8.008 -15.349 1.00 0.00 N flip ATOM 371 CD2 HIS A 26 8.822 -9.650 -13.929 1.00 0.00 C flip ATOM 372 CE1 HIS A 26 7.999 -7.695 -14.221 1.00 0.00 C flip ATOM 373 NE2 HIS A 26 8.085 -8.706 -13.371 1.00 0.00 N flip ATOM 0 H HIS A 26 11.853 -7.904 -16.678 1.00 0.00 H new ATOM 0 HA HIS A 26 11.896 -10.398 -15.086 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.762 -9.802 -17.134 1.00 0.00 H new ATOM 0 HB3 HIS A 26 9.811 -11.098 -15.956 1.00 0.00 H new ATOM 0 HD1 HIS A 26 8.815 -7.416 -16.172 1.00 0.00 H new ATOM 0 HD2 HIS A 26 9.070 -10.599 -13.477 1.00 0.00 H new ATOM 0 HE1 HIS A 26 7.460 -6.774 -14.051 1.00 0.00 H new ATOM 380 N ARG A 27 12.518 -11.663 -17.249 1.00 0.00 N ATOM 381 CA ARG A 27 13.065 -12.280 -18.429 1.00 0.00 C ATOM 382 C ARG A 27 12.058 -13.257 -19.014 1.00 0.00 C ATOM 383 O ARG A 27 11.443 -14.033 -18.287 1.00 0.00 O ATOM 384 CB ARG A 27 14.380 -12.972 -18.098 1.00 0.00 C ATOM 385 CG ARG A 27 15.505 -12.010 -17.747 1.00 0.00 C ATOM 386 CD ARG A 27 16.752 -12.762 -17.328 1.00 0.00 C ATOM 387 NE ARG A 27 17.879 -11.870 -17.024 1.00 0.00 N ATOM 388 CZ ARG A 27 18.121 -11.305 -15.839 1.00 0.00 C ATOM 389 NH1 ARG A 27 17.231 -11.397 -14.856 1.00 0.00 N ATOM 390 NH2 ARG A 27 19.245 -10.628 -15.646 1.00 0.00 N ATOM 0 H ARG A 27 12.403 -12.292 -16.454 1.00 0.00 H new ATOM 0 HA ARG A 27 13.270 -11.514 -19.177 1.00 0.00 H new ATOM 0 HB2 ARG A 27 14.222 -13.653 -17.262 1.00 0.00 H new ATOM 0 HB3 ARG A 27 14.686 -13.579 -18.950 1.00 0.00 H new ATOM 0 HG2 ARG A 27 15.729 -11.378 -18.606 1.00 0.00 H new ATOM 0 HG3 ARG A 27 15.186 -11.350 -16.940 1.00 0.00 H new ATOM 0 HD2 ARG A 27 16.528 -13.368 -16.451 1.00 0.00 H new ATOM 0 HD3 ARG A 27 17.042 -13.448 -18.124 1.00 0.00 H new ATOM 0 HE ARG A 27 18.531 -11.665 -17.781 1.00 0.00 H new ATOM 0 HH11 ARG A 27 16.357 -11.902 -15.005 1.00 0.00 H new ATOM 0 HH12 ARG A 27 17.422 -10.963 -13.953 1.00 0.00 H new ATOM 0 HH21 ARG A 27 19.923 -10.539 -16.403 1.00 0.00 H new ATOM 0 HH22 ARG A 27 19.431 -10.196 -14.741 1.00 0.00 H new ATOM 404 N PHE A 28 11.888 -13.202 -20.317 1.00 0.00 N ATOM 405 CA PHE A 28 10.940 -14.053 -21.023 1.00 0.00 C ATOM 406 C PHE A 28 11.582 -14.598 -22.283 1.00 0.00 C ATOM 407 O PHE A 28 12.708 -14.231 -22.621 1.00 0.00 O ATOM 408 CB PHE A 28 9.686 -13.271 -21.427 1.00 0.00 C ATOM 409 CG PHE A 28 8.891 -12.679 -20.296 1.00 0.00 C ATOM 410 CD1 PHE A 28 7.982 -13.451 -19.590 1.00 0.00 C ATOM 411 CD2 PHE A 28 9.029 -11.344 -19.960 1.00 0.00 C ATOM 412 CE1 PHE A 28 7.232 -12.902 -18.565 1.00 0.00 C ATOM 413 CE2 PHE A 28 8.285 -10.790 -18.937 1.00 0.00 C ATOM 414 CZ PHE A 28 7.383 -11.567 -18.240 1.00 0.00 C ATOM 0 H PHE A 28 12.403 -12.565 -20.924 1.00 0.00 H new ATOM 0 HA PHE A 28 10.658 -14.863 -20.350 1.00 0.00 H new ATOM 0 HB2 PHE A 28 9.984 -12.465 -22.098 1.00 0.00 H new ATOM 0 HB3 PHE A 28 9.035 -13.935 -21.996 1.00 0.00 H new ATOM 0 HD1 PHE A 28 7.858 -14.494 -19.843 1.00 0.00 H new ATOM 0 HD2 PHE A 28 9.728 -10.727 -20.505 1.00 0.00 H new ATOM 0 HE1 PHE A 28 6.530 -13.515 -18.020 1.00 0.00 H new ATOM 0 HE2 PHE A 28 8.409 -9.748 -18.682 1.00 0.00 H new ATOM 0 HZ PHE A 28 6.797 -11.134 -17.443 1.00 0.00 H new ATOM 424 N CYS A 29 10.892 -15.498 -22.957 1.00 0.00 N ATOM 425 CA CYS A 29 11.316 -15.921 -24.275 1.00 0.00 C ATOM 426 C CYS A 29 10.734 -14.971 -25.317 1.00 0.00 C ATOM 427 O CYS A 29 9.648 -14.414 -25.124 1.00 0.00 O ATOM 428 CB CYS A 29 10.834 -17.334 -24.580 1.00 0.00 C ATOM 429 SG CYS A 29 11.279 -18.587 -23.341 1.00 0.00 S ATOM 0 H CYS A 29 10.042 -15.947 -22.616 1.00 0.00 H new ATOM 0 HA CYS A 29 12.406 -15.907 -24.305 1.00 0.00 H new ATOM 0 HB2 CYS A 29 9.749 -17.317 -24.682 1.00 0.00 H new ATOM 0 HB3 CYS A 29 11.240 -17.639 -25.544 1.00 0.00 H new ATOM 434 N LYS A 30 11.436 -14.823 -26.429 1.00 0.00 N ATOM 435 CA LYS A 30 11.029 -13.935 -27.514 1.00 0.00 C ATOM 436 C LYS A 30 9.769 -14.453 -28.216 1.00 0.00 C ATOM 437 O LYS A 30 9.129 -13.741 -28.966 1.00 0.00 O ATOM 438 CB LYS A 30 12.192 -13.741 -28.508 1.00 0.00 C ATOM 439 CG LYS A 30 11.892 -12.822 -29.680 1.00 0.00 C ATOM 440 CD LYS A 30 13.096 -12.662 -30.591 1.00 0.00 C ATOM 441 CE LYS A 30 12.761 -11.808 -31.807 1.00 0.00 C ATOM 442 NZ LYS A 30 12.347 -10.429 -31.447 1.00 0.00 N ATOM 0 H LYS A 30 12.310 -15.317 -26.608 1.00 0.00 H new ATOM 0 HA LYS A 30 10.779 -12.963 -27.088 1.00 0.00 H new ATOM 0 HB2 LYS A 30 13.050 -13.344 -27.966 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.484 -14.717 -28.897 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.054 -13.222 -30.251 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.586 -11.845 -29.307 1.00 0.00 H new ATOM 0 HD2 LYS A 30 13.915 -12.204 -30.037 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.441 -13.643 -30.917 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.630 -11.762 -32.463 1.00 0.00 H new ATOM 0 HE3 LYS A 30 11.961 -12.287 -32.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 11.328 -10.315 -31.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.545 -10.259 -30.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.877 -9.745 -32.024 1.00 0.00 H new ATOM 456 N ALA A 31 9.386 -15.675 -27.921 1.00 0.00 N ATOM 457 CA ALA A 31 8.217 -16.239 -28.562 1.00 0.00 C ATOM 458 C ALA A 31 7.118 -16.458 -27.544 1.00 0.00 C ATOM 459 O ALA A 31 6.045 -16.963 -27.867 1.00 0.00 O ATOM 460 CB ALA A 31 8.570 -17.537 -29.259 1.00 0.00 C ATOM 0 H ALA A 31 9.855 -16.288 -27.255 1.00 0.00 H new ATOM 0 HA ALA A 31 7.856 -15.537 -29.314 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.680 -17.948 -29.736 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.332 -17.348 -30.015 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.952 -18.250 -28.528 1.00 0.00 H new ATOM 466 N CYS A 32 7.390 -16.059 -26.311 1.00 0.00 N ATOM 467 CA CYS A 32 6.400 -16.114 -25.266 1.00 0.00 C ATOM 468 C CYS A 32 5.873 -14.709 -24.955 1.00 0.00 C ATOM 469 O CYS A 32 4.671 -14.460 -25.008 1.00 0.00 O ATOM 470 CB CYS A 32 6.984 -16.767 -24.008 1.00 0.00 C ATOM 471 SG CYS A 32 7.692 -18.433 -24.273 1.00 0.00 S ATOM 0 H CYS A 32 8.295 -15.693 -26.016 1.00 0.00 H new ATOM 0 HA CYS A 32 5.565 -16.724 -25.610 1.00 0.00 H new ATOM 0 HB2 CYS A 32 7.760 -16.117 -23.604 1.00 0.00 H new ATOM 0 HB3 CYS A 32 6.201 -16.835 -23.253 1.00 0.00 H new ATOM 476 N ILE A 33 6.788 -13.783 -24.666 1.00 0.00 N ATOM 477 CA ILE A 33 6.403 -12.425 -24.288 1.00 0.00 C ATOM 478 C ILE A 33 5.776 -11.653 -25.450 1.00 0.00 C ATOM 479 O ILE A 33 4.806 -10.929 -25.265 1.00 0.00 O ATOM 480 CB ILE A 33 7.561 -11.621 -23.636 1.00 0.00 C ATOM 481 CG1 ILE A 33 7.044 -10.303 -23.046 1.00 0.00 C ATOM 482 CG2 ILE A 33 8.691 -11.358 -24.623 1.00 0.00 C ATOM 483 CD1 ILE A 33 6.012 -10.476 -21.945 1.00 0.00 C ATOM 0 H ILE A 33 7.794 -13.948 -24.686 1.00 0.00 H new ATOM 0 HA ILE A 33 5.637 -12.544 -23.522 1.00 0.00 H new ATOM 0 HB ILE A 33 7.965 -12.230 -22.827 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.889 -9.739 -22.651 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.608 -9.706 -23.847 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.482 -10.793 -24.129 1.00 0.00 H new ATOM 0 HG22 ILE A 33 9.091 -12.307 -24.979 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.310 -10.785 -25.468 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.699 -9.497 -21.583 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.147 -11.011 -22.338 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.448 -11.044 -21.124 1.00 0.00 H new ATOM 495 N ILE A 34 6.307 -11.847 -26.647 1.00 0.00 N ATOM 496 CA ILE A 34 5.769 -11.193 -27.832 1.00 0.00 C ATOM 497 C ILE A 34 4.335 -11.636 -28.068 1.00 0.00 C ATOM 498 O ILE A 34 3.456 -10.821 -28.342 1.00 0.00 O ATOM 499 CB ILE A 34 6.650 -11.394 -29.097 1.00 0.00 C ATOM 500 CG1 ILE A 34 7.974 -10.641 -28.937 1.00 0.00 C ATOM 501 CG2 ILE A 34 5.931 -10.946 -30.362 1.00 0.00 C ATOM 502 CD1 ILE A 34 8.948 -10.863 -30.070 1.00 0.00 C ATOM 0 H ILE A 34 7.109 -12.451 -26.825 1.00 0.00 H new ATOM 0 HA ILE A 34 5.779 -10.120 -27.640 1.00 0.00 H new ATOM 0 HB ILE A 34 6.853 -12.460 -29.199 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.766 -9.574 -28.854 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.444 -10.947 -28.002 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.580 -11.103 -31.224 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.017 -11.526 -30.486 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.681 -9.888 -30.283 1.00 0.00 H new ATOM 0 HD11 ILE A 34 9.860 -10.296 -29.882 1.00 0.00 H new ATOM 0 HD12 ILE A 34 9.188 -11.924 -30.141 1.00 0.00 H new ATOM 0 HD13 ILE A 34 8.500 -10.529 -31.006 1.00 0.00 H new ATOM 514 N LYS A 35 4.091 -12.915 -27.886 1.00 0.00 N ATOM 515 CA LYS A 35 2.774 -13.477 -28.105 1.00 0.00 C ATOM 516 C LYS A 35 1.866 -13.187 -26.913 1.00 0.00 C ATOM 517 O LYS A 35 0.719 -13.612 -26.872 1.00 0.00 O ATOM 518 CB LYS A 35 2.883 -14.984 -28.353 1.00 0.00 C ATOM 519 CG LYS A 35 3.713 -15.340 -29.583 1.00 0.00 C ATOM 520 CD LYS A 35 3.084 -14.801 -30.858 1.00 0.00 C ATOM 521 CE LYS A 35 1.804 -15.545 -31.197 1.00 0.00 C ATOM 522 NZ LYS A 35 1.138 -14.981 -32.382 1.00 0.00 N ATOM 0 H LYS A 35 4.793 -13.591 -27.585 1.00 0.00 H new ATOM 0 HA LYS A 35 2.333 -13.012 -28.987 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.325 -15.457 -27.476 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.882 -15.399 -28.468 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.719 -14.935 -29.473 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.812 -16.423 -29.655 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.870 -13.739 -30.740 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.791 -14.894 -31.683 1.00 0.00 H new ATOM 0 HE2 LYS A 35 2.031 -16.596 -31.374 1.00 0.00 H new ATOM 0 HE3 LYS A 35 1.125 -15.505 -30.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 0.326 -15.577 -32.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.807 -14.018 -32.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.810 -14.949 -33.175 1.00 0.00 H new ATOM 536 N SER A 36 2.389 -12.456 -25.951 1.00 0.00 N ATOM 537 CA SER A 36 1.605 -11.997 -24.837 1.00 0.00 C ATOM 538 C SER A 36 1.328 -10.489 -24.982 1.00 0.00 C ATOM 539 O SER A 36 0.316 -9.985 -24.495 1.00 0.00 O ATOM 540 CB SER A 36 2.334 -12.299 -23.518 1.00 0.00 C ATOM 541 OG SER A 36 1.531 -11.990 -22.392 1.00 0.00 O ATOM 0 H SER A 36 3.367 -12.167 -25.924 1.00 0.00 H new ATOM 0 HA SER A 36 0.651 -12.524 -24.825 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.612 -13.353 -23.489 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.259 -11.724 -23.474 1.00 0.00 H new ATOM 0 HG SER A 36 2.025 -12.196 -21.571 1.00 0.00 H new ATOM 547 N ILE A 37 2.201 -9.783 -25.700 1.00 0.00 N ATOM 548 CA ILE A 37 2.054 -8.341 -25.846 1.00 0.00 C ATOM 549 C ILE A 37 1.526 -7.912 -27.214 1.00 0.00 C ATOM 550 O ILE A 37 1.263 -6.734 -27.432 1.00 0.00 O ATOM 551 CB ILE A 37 3.344 -7.559 -25.499 1.00 0.00 C ATOM 552 CG1 ILE A 37 4.518 -7.993 -26.389 1.00 0.00 C ATOM 553 CG2 ILE A 37 3.678 -7.713 -24.026 1.00 0.00 C ATOM 554 CD1 ILE A 37 5.782 -7.187 -26.178 1.00 0.00 C ATOM 0 H ILE A 37 3.006 -10.182 -26.183 1.00 0.00 H new ATOM 0 HA ILE A 37 1.295 -8.078 -25.110 1.00 0.00 H new ATOM 0 HB ILE A 37 3.165 -6.502 -25.697 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.734 -9.045 -26.200 1.00 0.00 H new ATOM 0 HG13 ILE A 37 4.218 -7.912 -27.434 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.588 -7.157 -23.799 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.856 -7.325 -23.424 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.830 -8.767 -23.796 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.563 -7.555 -26.843 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.585 -6.137 -26.396 1.00 0.00 H new ATOM 0 HD13 ILE A 37 6.109 -7.288 -25.143 1.00 0.00 H new ATOM 566 N ARG A 38 1.377 -8.843 -28.135 1.00 0.00 N ATOM 567 CA ARG A 38 0.696 -8.516 -29.384 1.00 0.00 C ATOM 568 C ARG A 38 -0.478 -9.454 -29.644 1.00 0.00 C ATOM 569 O ARG A 38 -1.143 -9.372 -30.683 1.00 0.00 O ATOM 570 CB ARG A 38 1.664 -8.465 -30.572 1.00 0.00 C ATOM 571 CG ARG A 38 2.266 -9.790 -30.987 1.00 0.00 C ATOM 572 CD ARG A 38 3.276 -9.582 -32.111 1.00 0.00 C ATOM 573 NE ARG A 38 2.658 -9.046 -33.332 1.00 0.00 N ATOM 574 CZ ARG A 38 3.337 -8.472 -34.336 1.00 0.00 C ATOM 575 NH1 ARG A 38 4.652 -8.296 -34.247 1.00 0.00 N ATOM 576 NH2 ARG A 38 2.698 -8.061 -35.422 1.00 0.00 N ATOM 0 H ARG A 38 1.705 -9.805 -28.054 1.00 0.00 H new ATOM 0 HA ARG A 38 0.287 -7.512 -29.272 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.138 -8.042 -31.428 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.475 -7.780 -30.327 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.754 -10.259 -30.133 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.479 -10.468 -31.317 1.00 0.00 H new ATOM 0 HD2 ARG A 38 4.056 -8.899 -31.773 1.00 0.00 H new ATOM 0 HD3 ARG A 38 3.761 -10.531 -32.340 1.00 0.00 H new ATOM 0 HE ARG A 38 1.644 -9.115 -33.422 1.00 0.00 H new ATOM 0 HH11 ARG A 38 5.152 -8.598 -33.411 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.161 -7.859 -35.015 1.00 0.00 H new ATOM 0 HH21 ARG A 38 1.688 -8.181 -35.495 1.00 0.00 H new ATOM 0 HH22 ARG A 38 3.216 -7.625 -36.184 1.00 0.00 H new ATOM 590 N ASP A 39 -0.730 -10.347 -28.695 1.00 0.00 N ATOM 591 CA ASP A 39 -1.817 -11.323 -28.821 1.00 0.00 C ATOM 592 C ASP A 39 -2.756 -11.313 -27.619 1.00 0.00 C ATOM 593 O ASP A 39 -3.971 -11.396 -27.776 1.00 0.00 O ATOM 594 CB ASP A 39 -1.277 -12.742 -29.042 1.00 0.00 C ATOM 595 CG ASP A 39 -0.772 -12.997 -30.446 1.00 0.00 C ATOM 596 OD1 ASP A 39 0.401 -12.700 -30.742 1.00 0.00 O ATOM 597 OD2 ASP A 39 -1.547 -13.515 -31.275 1.00 0.00 O ATOM 0 H ASP A 39 -0.199 -10.419 -27.827 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.390 -11.020 -29.697 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.467 -12.925 -28.337 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.066 -13.459 -28.815 1.00 0.00 H new ATOM 602 N ALA A 40 -2.192 -11.233 -26.424 1.00 0.00 N ATOM 603 CA ALA A 40 -2.989 -11.246 -25.203 1.00 0.00 C ATOM 604 C ALA A 40 -3.332 -9.827 -24.767 1.00 0.00 C ATOM 605 O ALA A 40 -4.493 -9.421 -24.760 1.00 0.00 O ATOM 606 CB ALA A 40 -2.258 -11.992 -24.091 1.00 0.00 C ATOM 0 H ALA A 40 -1.186 -11.158 -26.271 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.921 -11.771 -25.410 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.869 -11.990 -23.189 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.074 -13.020 -24.403 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.308 -11.499 -23.886 1.00 0.00 H new ATOM 612 N GLY A 41 -2.316 -9.091 -24.396 1.00 0.00 N ATOM 613 CA GLY A 41 -2.465 -7.704 -24.047 1.00 0.00 C ATOM 614 C GLY A 41 -1.335 -6.922 -24.649 1.00 0.00 C ATOM 615 O GLY A 41 -0.855 -7.280 -25.706 1.00 0.00 O ATOM 0 H GLY A 41 -1.360 -9.439 -24.328 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.420 -7.325 -24.411 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.468 -7.587 -22.963 1.00 0.00 H new ATOM 619 N HIS A 42 -0.915 -5.865 -24.001 1.00 0.00 N ATOM 620 CA HIS A 42 0.293 -5.152 -24.414 1.00 0.00 C ATOM 621 C HIS A 42 1.061 -4.771 -23.160 1.00 0.00 C ATOM 622 O HIS A 42 1.760 -3.759 -23.101 1.00 0.00 O ATOM 623 CB HIS A 42 -0.046 -3.901 -25.252 1.00 0.00 C ATOM 624 CG HIS A 42 1.096 -3.445 -26.135 1.00 0.00 C ATOM 625 ND1 HIS A 42 2.118 -2.633 -25.705 1.00 0.00 N ATOM 626 CD2 HIS A 42 1.377 -3.729 -27.430 1.00 0.00 C ATOM 627 CE1 HIS A 42 2.973 -2.438 -26.693 1.00 0.00 C ATOM 628 NE2 HIS A 42 2.546 -3.095 -27.749 1.00 0.00 N ATOM 0 H HIS A 42 -1.383 -5.470 -23.185 1.00 0.00 H new ATOM 0 HA HIS A 42 0.900 -5.797 -25.049 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -0.915 -4.114 -25.875 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -0.325 -3.088 -24.582 1.00 0.00 H new ATOM 0 HD2 HIS A 42 0.785 -4.345 -28.091 1.00 0.00 H new ATOM 0 HE1 HIS A 42 3.871 -1.840 -26.642 1.00 0.00 H new ATOM 0 HE2 HIS A 42 3.010 -3.127 -28.657 1.00 0.00 H new ATOM 637 N LYS A 43 0.939 -5.615 -22.167 1.00 0.00 N ATOM 638 CA LYS A 43 1.506 -5.373 -20.869 1.00 0.00 C ATOM 639 C LYS A 43 2.247 -6.604 -20.387 1.00 0.00 C ATOM 640 O LYS A 43 2.034 -7.710 -20.899 1.00 0.00 O ATOM 641 CB LYS A 43 0.387 -5.013 -19.877 1.00 0.00 C ATOM 642 CG LYS A 43 -0.560 -6.168 -19.570 1.00 0.00 C ATOM 643 CD LYS A 43 -1.647 -5.766 -18.584 1.00 0.00 C ATOM 644 CE LYS A 43 -2.600 -4.758 -19.203 1.00 0.00 C ATOM 645 NZ LYS A 43 -3.731 -4.435 -18.308 1.00 0.00 N ATOM 0 H LYS A 43 0.437 -6.500 -22.240 1.00 0.00 H new ATOM 0 HA LYS A 43 2.210 -4.543 -20.935 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.837 -4.667 -18.946 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.189 -4.181 -20.281 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.020 -6.516 -20.495 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.008 -7.004 -19.163 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.202 -6.650 -18.269 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.192 -5.340 -17.690 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.055 -3.844 -19.441 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.985 -5.154 -20.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.354 -3.744 -18.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.268 -5.301 -18.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.368 -4.032 -17.421 1.00 0.00 H new ATOM 659 N CYS A 44 3.116 -6.409 -19.428 1.00 0.00 N ATOM 660 CA CYS A 44 3.813 -7.487 -18.798 1.00 0.00 C ATOM 661 C CYS A 44 2.837 -8.189 -17.867 1.00 0.00 C ATOM 662 O CYS A 44 2.271 -7.559 -16.972 1.00 0.00 O ATOM 663 CB CYS A 44 4.984 -6.896 -18.007 1.00 0.00 C ATOM 664 SG CYS A 44 5.916 -8.056 -16.952 1.00 0.00 S ATOM 0 H CYS A 44 3.358 -5.487 -19.064 1.00 0.00 H new ATOM 0 HA CYS A 44 4.198 -8.203 -19.524 1.00 0.00 H new ATOM 0 HB2 CYS A 44 5.679 -6.442 -18.713 1.00 0.00 H new ATOM 0 HB3 CYS A 44 4.601 -6.093 -17.377 1.00 0.00 H new ATOM 669 N PRO A 45 2.617 -9.494 -18.067 1.00 0.00 N ATOM 670 CA PRO A 45 1.626 -10.246 -17.303 1.00 0.00 C ATOM 671 C PRO A 45 1.962 -10.352 -15.813 1.00 0.00 C ATOM 672 O PRO A 45 1.066 -10.395 -14.969 1.00 0.00 O ATOM 673 CB PRO A 45 1.640 -11.631 -17.969 1.00 0.00 C ATOM 674 CG PRO A 45 2.985 -11.730 -18.601 1.00 0.00 C ATOM 675 CD PRO A 45 3.312 -10.341 -19.062 1.00 0.00 C ATOM 0 HA PRO A 45 0.652 -9.757 -17.321 1.00 0.00 H new ATOM 0 HB2 PRO A 45 1.486 -12.424 -17.237 1.00 0.00 H new ATOM 0 HB3 PRO A 45 0.846 -11.723 -18.710 1.00 0.00 H new ATOM 0 HG2 PRO A 45 3.727 -12.093 -17.890 1.00 0.00 H new ATOM 0 HG3 PRO A 45 2.976 -12.429 -19.437 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.387 -10.159 -19.068 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.952 -10.155 -20.074 1.00 0.00 H new ATOM 683 N VAL A 46 3.251 -10.372 -15.498 1.00 0.00 N ATOM 684 CA VAL A 46 3.696 -10.620 -14.136 1.00 0.00 C ATOM 685 C VAL A 46 3.337 -9.473 -13.190 1.00 0.00 C ATOM 686 O VAL A 46 2.779 -9.694 -12.124 1.00 0.00 O ATOM 687 CB VAL A 46 5.217 -10.908 -14.066 1.00 0.00 C ATOM 688 CG1 VAL A 46 5.657 -11.175 -12.629 1.00 0.00 C ATOM 689 CG2 VAL A 46 5.590 -12.077 -14.967 1.00 0.00 C ATOM 0 H VAL A 46 4.005 -10.219 -16.168 1.00 0.00 H new ATOM 0 HA VAL A 46 3.162 -11.511 -13.805 1.00 0.00 H new ATOM 0 HB VAL A 46 5.742 -10.022 -14.422 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.728 -11.374 -12.608 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.438 -10.303 -12.013 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.119 -12.039 -12.238 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.663 -12.260 -14.901 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.050 -12.969 -14.649 1.00 0.00 H new ATOM 0 HG23 VAL A 46 5.325 -11.841 -15.998 1.00 0.00 H new ATOM 699 N ASP A 47 3.635 -8.248 -13.592 1.00 0.00 N ATOM 700 CA ASP A 47 3.395 -7.097 -12.718 1.00 0.00 C ATOM 701 C ASP A 47 2.330 -6.160 -13.269 1.00 0.00 C ATOM 702 O ASP A 47 2.080 -5.105 -12.703 1.00 0.00 O ATOM 703 CB ASP A 47 4.703 -6.335 -12.419 1.00 0.00 C ATOM 704 CG ASP A 47 5.422 -5.837 -13.663 1.00 0.00 C ATOM 705 OD1 ASP A 47 4.987 -6.135 -14.789 1.00 0.00 O ATOM 706 OD2 ASP A 47 6.479 -5.194 -13.543 1.00 0.00 O ATOM 0 H ASP A 47 4.037 -8.020 -14.501 1.00 0.00 H new ATOM 0 HA ASP A 47 3.012 -7.495 -11.778 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.478 -5.484 -11.776 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.373 -6.988 -11.860 1.00 0.00 H new ATOM 711 N ASN A 48 1.693 -6.576 -14.358 1.00 0.00 N ATOM 712 CA ASN A 48 0.591 -5.828 -14.992 1.00 0.00 C ATOM 713 C ASN A 48 1.012 -4.425 -15.425 1.00 0.00 C ATOM 714 O ASN A 48 0.192 -3.496 -15.459 1.00 0.00 O ATOM 715 CB ASN A 48 -0.629 -5.745 -14.059 1.00 0.00 C ATOM 716 CG ASN A 48 -1.343 -7.070 -13.884 1.00 0.00 C ATOM 717 OD1 ASN A 48 -2.185 -7.448 -14.700 1.00 0.00 O ATOM 718 ND2 ASN A 48 -1.025 -7.782 -12.823 1.00 0.00 N ATOM 0 H ASN A 48 1.922 -7.447 -14.836 1.00 0.00 H new ATOM 0 HA ASN A 48 0.317 -6.383 -15.889 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.307 -5.382 -13.083 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -1.331 -5.012 -14.455 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -1.481 -8.679 -12.655 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -0.323 -7.437 -12.169 1.00 0.00 H new ATOM 725 N GLU A 49 2.266 -4.275 -15.802 1.00 0.00 N ATOM 726 CA GLU A 49 2.769 -2.990 -16.255 1.00 0.00 C ATOM 727 C GLU A 49 2.838 -2.947 -17.764 1.00 0.00 C ATOM 728 O GLU A 49 3.089 -3.961 -18.401 1.00 0.00 O ATOM 729 CB GLU A 49 4.136 -2.685 -15.646 1.00 0.00 C ATOM 730 CG GLU A 49 4.091 -2.484 -14.144 1.00 0.00 C ATOM 731 CD GLU A 49 3.210 -1.317 -13.757 1.00 0.00 C ATOM 732 OE1 GLU A 49 3.416 -0.207 -14.280 1.00 0.00 O ATOM 733 OE2 GLU A 49 2.291 -1.500 -12.935 1.00 0.00 O ATOM 0 H GLU A 49 2.957 -5.026 -15.804 1.00 0.00 H new ATOM 0 HA GLU A 49 2.073 -2.222 -15.918 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.819 -3.503 -15.876 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.543 -1.788 -16.114 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.721 -3.392 -13.667 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.101 -2.316 -13.770 1.00 0.00 H new ATOM 740 N ILE A 50 2.617 -1.776 -18.335 1.00 0.00 N ATOM 741 CA ILE A 50 2.614 -1.616 -19.780 1.00 0.00 C ATOM 742 C ILE A 50 4.010 -1.872 -20.335 1.00 0.00 C ATOM 743 O ILE A 50 4.981 -1.232 -19.934 1.00 0.00 O ATOM 744 CB ILE A 50 2.083 -0.214 -20.240 1.00 0.00 C ATOM 745 CG1 ILE A 50 0.572 -0.049 -19.943 1.00 0.00 C ATOM 746 CG2 ILE A 50 2.348 0.010 -21.726 1.00 0.00 C ATOM 747 CD1 ILE A 50 0.209 0.067 -18.472 1.00 0.00 C ATOM 0 H ILE A 50 2.436 -0.916 -17.817 1.00 0.00 H new ATOM 0 HA ILE A 50 1.920 -2.354 -20.183 1.00 0.00 H new ATOM 0 HB ILE A 50 2.626 0.537 -19.667 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.212 0.840 -20.461 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.040 -0.901 -20.366 1.00 0.00 H new ATOM 0 HG21 ILE A 50 1.970 0.989 -22.019 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.420 -0.037 -21.915 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.843 -0.762 -22.306 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.871 0.179 -18.371 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.531 -0.831 -17.946 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.705 0.937 -18.042 1.00 0.00 H new ATOM 759 N LEU A 51 4.103 -2.822 -21.236 1.00 0.00 N ATOM 760 CA LEU A 51 5.371 -3.242 -21.770 1.00 0.00 C ATOM 761 C LEU A 51 5.483 -2.839 -23.223 1.00 0.00 C ATOM 762 O LEU A 51 4.568 -3.071 -24.018 1.00 0.00 O ATOM 763 CB LEU A 51 5.526 -4.756 -21.614 1.00 0.00 C ATOM 764 CG LEU A 51 6.853 -5.359 -22.073 1.00 0.00 C ATOM 765 CD1 LEU A 51 8.006 -4.774 -21.282 1.00 0.00 C ATOM 766 CD2 LEU A 51 6.827 -6.863 -21.909 1.00 0.00 C ATOM 0 H LEU A 51 3.301 -3.323 -21.617 1.00 0.00 H new ATOM 0 HA LEU A 51 6.172 -2.753 -21.216 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.384 -5.006 -20.563 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.722 -5.240 -22.169 1.00 0.00 H new ATOM 0 HG LEU A 51 6.994 -5.117 -23.126 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.942 -5.216 -21.623 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.039 -3.695 -21.430 1.00 0.00 H new ATOM 0 HD13 LEU A 51 7.867 -4.991 -20.223 1.00 0.00 H new ATOM 0 HD21 LEU A 51 7.778 -7.282 -22.239 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.666 -7.112 -20.860 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.019 -7.281 -22.509 1.00 0.00 H new ATOM 778 N LEU A 52 6.590 -2.226 -23.563 1.00 0.00 N ATOM 779 CA LEU A 52 6.821 -1.765 -24.909 1.00 0.00 C ATOM 780 C LEU A 52 7.666 -2.774 -25.668 1.00 0.00 C ATOM 781 O LEU A 52 8.627 -3.322 -25.130 1.00 0.00 O ATOM 782 CB LEU A 52 7.503 -0.401 -24.887 1.00 0.00 C ATOM 783 CG LEU A 52 6.749 0.707 -24.148 1.00 0.00 C ATOM 784 CD1 LEU A 52 7.544 1.997 -24.166 1.00 0.00 C ATOM 785 CD2 LEU A 52 5.370 0.923 -24.754 1.00 0.00 C ATOM 0 H LEU A 52 7.354 -2.033 -22.916 1.00 0.00 H new ATOM 0 HA LEU A 52 5.863 -1.663 -25.419 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.486 -0.514 -24.429 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.666 -0.080 -25.916 1.00 0.00 H new ATOM 0 HG LEU A 52 6.620 0.395 -23.112 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.991 2.772 -23.636 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.506 1.839 -23.678 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.708 2.309 -25.197 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.854 1.715 -24.211 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.473 1.208 -25.801 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.793 0.001 -24.684 1.00 0.00 H new ATOM 797 N GLU A 53 7.303 -3.000 -26.912 1.00 0.00 N ATOM 798 CA GLU A 53 7.921 -4.015 -27.754 1.00 0.00 C ATOM 799 C GLU A 53 9.385 -3.680 -28.050 1.00 0.00 C ATOM 800 O GLU A 53 10.239 -4.562 -28.070 1.00 0.00 O ATOM 801 CB GLU A 53 7.109 -4.162 -29.045 1.00 0.00 C ATOM 802 CG GLU A 53 5.730 -4.773 -28.817 1.00 0.00 C ATOM 803 CD GLU A 53 4.854 -4.772 -30.045 1.00 0.00 C ATOM 804 OE1 GLU A 53 5.246 -5.356 -31.079 1.00 0.00 O ATOM 805 OE2 GLU A 53 3.742 -4.192 -29.979 1.00 0.00 O ATOM 0 H GLU A 53 6.560 -2.479 -27.378 1.00 0.00 H new ATOM 0 HA GLU A 53 7.919 -4.967 -27.223 1.00 0.00 H new ATOM 0 HB2 GLU A 53 6.994 -3.182 -29.508 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.664 -4.784 -29.748 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.850 -5.799 -28.469 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.226 -4.223 -28.022 1.00 0.00 H new ATOM 812 N ASN A 54 9.663 -2.400 -28.263 1.00 0.00 N ATOM 813 CA ASN A 54 11.029 -1.925 -28.524 1.00 0.00 C ATOM 814 C ASN A 54 11.918 -2.113 -27.306 1.00 0.00 C ATOM 815 O ASN A 54 13.122 -2.309 -27.427 1.00 0.00 O ATOM 816 CB ASN A 54 11.046 -0.450 -28.940 1.00 0.00 C ATOM 817 CG ASN A 54 10.448 -0.200 -30.307 1.00 0.00 C ATOM 818 OD1 ASN A 54 10.360 -1.100 -31.140 1.00 0.00 O ATOM 819 ND2 ASN A 54 10.050 1.029 -30.553 1.00 0.00 N ATOM 0 H ASN A 54 8.959 -1.662 -28.261 1.00 0.00 H new ATOM 0 HA ASN A 54 11.417 -2.525 -29.347 1.00 0.00 H new ATOM 0 HB2 ASN A 54 10.498 0.134 -28.200 1.00 0.00 H new ATOM 0 HB3 ASN A 54 12.075 -0.090 -28.931 1.00 0.00 H new ATOM 0 HD21 ASN A 54 9.651 1.264 -31.462 1.00 0.00 H new ATOM 0 HD22 ASN A 54 10.140 1.748 -29.835 1.00 0.00 H new ATOM 826 N GLN A 55 11.314 -2.047 -26.136 1.00 0.00 N ATOM 827 CA GLN A 55 12.040 -2.091 -24.875 1.00 0.00 C ATOM 828 C GLN A 55 12.553 -3.479 -24.513 1.00 0.00 C ATOM 829 O GLN A 55 13.256 -3.639 -23.518 1.00 0.00 O ATOM 830 CB GLN A 55 11.234 -1.470 -23.742 1.00 0.00 C ATOM 831 CG GLN A 55 10.993 0.019 -23.920 1.00 0.00 C ATOM 832 CD GLN A 55 12.290 0.805 -23.974 1.00 0.00 C ATOM 833 OE1 GLN A 55 12.852 1.033 -25.054 1.00 0.00 O ATOM 834 NE2 GLN A 55 12.770 1.228 -22.824 1.00 0.00 N ATOM 0 H GLN A 55 10.303 -1.961 -26.029 1.00 0.00 H new ATOM 0 HA GLN A 55 12.931 -1.481 -25.024 1.00 0.00 H new ATOM 0 HB2 GLN A 55 10.273 -1.980 -23.667 1.00 0.00 H new ATOM 0 HB3 GLN A 55 11.757 -1.636 -22.800 1.00 0.00 H new ATOM 0 HG2 GLN A 55 10.429 0.187 -24.838 1.00 0.00 H new ATOM 0 HG3 GLN A 55 10.380 0.388 -23.097 1.00 0.00 H new ATOM 0 HE21 GLN A 55 12.276 1.018 -21.957 1.00 0.00 H new ATOM 0 HE22 GLN A 55 13.636 1.766 -22.800 1.00 0.00 H new ATOM 843 N LEU A 56 12.168 -4.479 -25.280 1.00 0.00 N ATOM 844 CA LEU A 56 12.693 -5.818 -25.075 1.00 0.00 C ATOM 845 C LEU A 56 14.134 -5.870 -25.569 1.00 0.00 C ATOM 846 O LEU A 56 14.434 -5.413 -26.679 1.00 0.00 O ATOM 847 CB LEU A 56 11.851 -6.844 -25.846 1.00 0.00 C ATOM 848 CG LEU A 56 10.372 -6.941 -25.459 1.00 0.00 C ATOM 849 CD1 LEU A 56 9.652 -7.946 -26.338 1.00 0.00 C ATOM 850 CD2 LEU A 56 10.228 -7.323 -24.003 1.00 0.00 C ATOM 0 H LEU A 56 11.499 -4.394 -26.045 1.00 0.00 H new ATOM 0 HA LEU A 56 12.654 -6.059 -24.013 1.00 0.00 H new ATOM 0 HB2 LEU A 56 11.911 -6.606 -26.908 1.00 0.00 H new ATOM 0 HB3 LEU A 56 12.304 -7.826 -25.713 1.00 0.00 H new ATOM 0 HG LEU A 56 9.917 -5.962 -25.609 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.603 -7.999 -26.046 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.723 -7.635 -27.380 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.112 -8.927 -26.220 1.00 0.00 H new ATOM 0 HD21 LEU A 56 9.171 -7.387 -23.747 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.702 -8.289 -23.832 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.707 -6.568 -23.380 1.00 0.00 H new ATOM 862 N PHE A 57 15.016 -6.419 -24.756 1.00 0.00 N ATOM 863 CA PHE A 57 16.425 -6.555 -25.113 1.00 0.00 C ATOM 864 C PHE A 57 16.897 -7.957 -24.758 1.00 0.00 C ATOM 865 O PHE A 57 16.548 -8.463 -23.700 1.00 0.00 O ATOM 866 CB PHE A 57 17.290 -5.531 -24.349 1.00 0.00 C ATOM 867 CG PHE A 57 16.969 -4.083 -24.623 1.00 0.00 C ATOM 868 CD1 PHE A 57 17.304 -3.499 -25.836 1.00 0.00 C ATOM 869 CD2 PHE A 57 16.329 -3.312 -23.669 1.00 0.00 C ATOM 870 CE1 PHE A 57 17.010 -2.172 -26.089 1.00 0.00 C ATOM 871 CE2 PHE A 57 16.028 -1.983 -23.918 1.00 0.00 C ATOM 872 CZ PHE A 57 16.368 -1.414 -25.131 1.00 0.00 C ATOM 0 H PHE A 57 14.783 -6.783 -23.832 1.00 0.00 H new ATOM 0 HA PHE A 57 16.529 -6.374 -26.183 1.00 0.00 H new ATOM 0 HB2 PHE A 57 17.181 -5.714 -23.280 1.00 0.00 H new ATOM 0 HB3 PHE A 57 18.337 -5.707 -24.597 1.00 0.00 H new ATOM 0 HD1 PHE A 57 17.801 -4.089 -26.592 1.00 0.00 H new ATOM 0 HD2 PHE A 57 16.061 -3.751 -22.719 1.00 0.00 H new ATOM 0 HE1 PHE A 57 17.283 -1.729 -27.036 1.00 0.00 H new ATOM 0 HE2 PHE A 57 15.528 -1.392 -23.165 1.00 0.00 H new ATOM 0 HZ PHE A 57 16.132 -0.379 -25.329 1.00 0.00 H new ATOM 882 N PRO A 58 17.684 -8.616 -25.624 1.00 0.00 N ATOM 883 CA PRO A 58 18.205 -9.959 -25.330 1.00 0.00 C ATOM 884 C PRO A 58 19.062 -9.948 -24.066 1.00 0.00 C ATOM 885 O PRO A 58 19.825 -9.000 -23.830 1.00 0.00 O ATOM 886 CB PRO A 58 19.076 -10.272 -26.555 1.00 0.00 C ATOM 887 CG PRO A 58 18.531 -9.398 -27.627 1.00 0.00 C ATOM 888 CD PRO A 58 18.129 -8.130 -26.939 1.00 0.00 C ATOM 0 HA PRO A 58 17.415 -10.690 -25.156 1.00 0.00 H new ATOM 0 HB2 PRO A 58 20.127 -10.056 -26.362 1.00 0.00 H new ATOM 0 HB3 PRO A 58 19.012 -11.325 -26.830 1.00 0.00 H new ATOM 0 HG2 PRO A 58 19.279 -9.207 -28.397 1.00 0.00 H new ATOM 0 HG3 PRO A 58 17.678 -9.865 -28.120 1.00 0.00 H new ATOM 0 HD2 PRO A 58 18.961 -7.431 -26.854 1.00 0.00 H new ATOM 0 HD3 PRO A 58 17.332 -7.613 -27.473 1.00 0.00 H new ATOM 896 N ASP A 59 18.921 -10.983 -23.248 1.00 0.00 N ATOM 897 CA ASP A 59 19.683 -11.088 -22.013 1.00 0.00 C ATOM 898 C ASP A 59 21.148 -11.258 -22.332 1.00 0.00 C ATOM 899 O ASP A 59 22.010 -10.599 -21.747 1.00 0.00 O ATOM 900 CB ASP A 59 19.194 -12.256 -21.161 1.00 0.00 C ATOM 901 CG ASP A 59 19.851 -12.280 -19.800 1.00 0.00 C ATOM 902 OD1 ASP A 59 19.565 -11.385 -18.993 1.00 0.00 O ATOM 903 OD2 ASP A 59 20.643 -13.197 -19.520 1.00 0.00 O ATOM 0 H ASP A 59 18.285 -11.762 -23.419 1.00 0.00 H new ATOM 0 HA ASP A 59 19.539 -10.171 -21.442 1.00 0.00 H new ATOM 0 HB2 ASP A 59 18.113 -12.189 -21.040 1.00 0.00 H new ATOM 0 HB3 ASP A 59 19.399 -13.193 -21.679 1.00 0.00 H new ATOM 908 N ASN A 60 21.420 -12.128 -23.278 1.00 0.00 N ATOM 909 CA ASN A 60 22.752 -12.295 -23.789 1.00 0.00 C ATOM 910 C ASN A 60 22.803 -11.790 -25.213 1.00 0.00 C ATOM 911 O ASN A 60 22.280 -12.427 -26.124 1.00 0.00 O ATOM 912 CB ASN A 60 23.197 -13.761 -23.733 1.00 0.00 C ATOM 913 CG ASN A 60 24.639 -13.943 -24.171 1.00 0.00 C ATOM 914 OD1 ASN A 60 24.925 -14.101 -25.359 1.00 0.00 O ATOM 915 ND2 ASN A 60 25.552 -13.939 -23.219 1.00 0.00 N ATOM 0 H ASN A 60 20.724 -12.735 -23.710 1.00 0.00 H new ATOM 0 HA ASN A 60 23.437 -11.721 -23.165 1.00 0.00 H new ATOM 0 HB2 ASN A 60 23.079 -14.136 -22.716 1.00 0.00 H new ATOM 0 HB3 ASN A 60 22.547 -14.360 -24.371 1.00 0.00 H new ATOM 0 HD21 ASN A 60 26.536 -14.070 -23.455 1.00 0.00 H new ATOM 0 HD22 ASN A 60 25.274 -13.805 -22.247 1.00 0.00 H new ATOM 922 N PHE A 61 23.393 -10.640 -25.397 1.00 0.00 N ATOM 923 CA PHE A 61 23.563 -10.082 -26.709 1.00 0.00 C ATOM 924 C PHE A 61 25.049 -9.977 -26.996 1.00 0.00 C ATOM 925 O PHE A 61 25.738 -9.086 -26.486 1.00 0.00 O ATOM 926 CB PHE A 61 22.874 -8.710 -26.794 1.00 0.00 C ATOM 927 CG PHE A 61 22.908 -8.076 -28.157 1.00 0.00 C ATOM 928 CD1 PHE A 61 22.152 -8.600 -29.193 1.00 0.00 C ATOM 929 CD2 PHE A 61 23.689 -6.956 -28.401 1.00 0.00 C ATOM 930 CE1 PHE A 61 22.173 -8.024 -30.446 1.00 0.00 C ATOM 931 CE2 PHE A 61 23.714 -6.374 -29.654 1.00 0.00 C ATOM 932 CZ PHE A 61 22.954 -6.907 -30.680 1.00 0.00 C ATOM 0 H PHE A 61 23.768 -10.065 -24.643 1.00 0.00 H new ATOM 0 HA PHE A 61 23.100 -10.724 -27.459 1.00 0.00 H new ATOM 0 HB2 PHE A 61 21.835 -8.820 -26.485 1.00 0.00 H new ATOM 0 HB3 PHE A 61 23.349 -8.035 -26.082 1.00 0.00 H new ATOM 0 HD1 PHE A 61 21.538 -9.471 -29.017 1.00 0.00 H new ATOM 0 HD2 PHE A 61 24.283 -6.535 -27.604 1.00 0.00 H new ATOM 0 HE1 PHE A 61 21.580 -8.445 -31.244 1.00 0.00 H new ATOM 0 HE2 PHE A 61 24.327 -5.503 -29.833 1.00 0.00 H new ATOM 0 HZ PHE A 61 22.971 -6.453 -31.660 1.00 0.00 H new ATOM 942 N ALA A 62 25.542 -10.901 -27.800 1.00 0.00 N ATOM 943 CA ALA A 62 26.960 -10.998 -28.072 1.00 0.00 C ATOM 944 C ALA A 62 27.380 -10.049 -29.175 1.00 0.00 C ATOM 945 O ALA A 62 27.012 -10.232 -30.345 1.00 0.00 O ATOM 946 CB ALA A 62 27.336 -12.426 -28.427 1.00 0.00 C ATOM 0 H ALA A 62 24.974 -11.600 -28.279 1.00 0.00 H new ATOM 0 HA ALA A 62 27.493 -10.709 -27.166 1.00 0.00 H new ATOM 0 HB1 ALA A 62 28.406 -12.481 -28.629 1.00 0.00 H new ATOM 0 HB2 ALA A 62 27.089 -13.085 -27.595 1.00 0.00 H new ATOM 0 HB3 ALA A 62 26.783 -12.738 -29.313 1.00 0.00 H new ATOM 952 N LYS A 63 28.141 -9.042 -28.792 1.00 0.00 N ATOM 953 CA LYS A 63 28.705 -8.062 -29.698 1.00 0.00 C ATOM 954 C LYS A 63 29.596 -7.134 -28.897 1.00 0.00 C ATOM 955 O LYS A 63 30.831 -7.187 -29.059 1.00 0.00 O ATOM 956 CB LYS A 63 27.615 -7.255 -30.431 1.00 0.00 C ATOM 957 CG LYS A 63 28.162 -6.381 -31.558 1.00 0.00 C ATOM 958 CD LYS A 63 27.053 -5.672 -32.329 1.00 0.00 C ATOM 959 CE LYS A 63 26.438 -4.528 -31.532 1.00 0.00 C ATOM 960 NZ LYS A 63 27.417 -3.442 -31.261 1.00 0.00 N ATOM 961 OXT LYS A 63 29.060 -6.393 -28.049 1.00 0.00 O ATOM 0 H LYS A 63 28.390 -8.879 -27.816 1.00 0.00 H new ATOM 0 HA LYS A 63 29.280 -8.581 -30.465 1.00 0.00 H new ATOM 0 HB2 LYS A 63 26.877 -7.944 -30.841 1.00 0.00 H new ATOM 0 HB3 LYS A 63 27.095 -6.623 -29.711 1.00 0.00 H new ATOM 0 HG2 LYS A 63 28.844 -5.639 -31.142 1.00 0.00 H new ATOM 0 HG3 LYS A 63 28.742 -6.998 -32.244 1.00 0.00 H new ATOM 0 HD2 LYS A 63 27.454 -5.285 -33.266 1.00 0.00 H new ATOM 0 HD3 LYS A 63 26.276 -6.391 -32.588 1.00 0.00 H new ATOM 0 HE2 LYS A 63 25.589 -4.121 -32.081 1.00 0.00 H new ATOM 0 HE3 LYS A 63 26.053 -4.912 -30.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 26.909 -2.578 -30.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 28.054 -3.733 -30.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 27.974 -3.254 -32.119 1.00 0.00 H new TER 975 LYS A 63 HETATM 976 ZN ZN A 65 9.041 -18.906 -22.576 1.00 0.00 ZN HETATM 977 ZN ZN A 66 6.676 -6.200 -15.602 1.00 0.00 ZN