USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=11 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 30 LYS NZ :NH3+ -175:sc= 1.92 (180deg=1.78) USER MOD Set 1.2: A 60 ASN : amide:sc= 1.05 K(o=3,f=1.2) USER MOD Single : A 1 GLY N :NH3+ 140:sc= 1.78 (180deg=1.09) USER MOD Single : A 5 SER OG : rot 180:sc= 0.126 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 134:sc= -0.537 (180deg=-1.59!) USER MOD Single : A 21 GLN : amide:sc= -0.816 X(o=-0.82,f=-0.4) USER MOD Single : A 22 THR OG1 : rot 138:sc= 1.72 USER MOD Single : A 26 HIS : no HE2:sc= -0.672 K(o=-0.67,f=-3.7!) USER MOD Single : A 35 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0476) USER MOD Single : A 36 SER OG : rot 95:sc= 0.976 USER MOD Single : A 42 HIS : no HD1:sc= 1.04 K(o=1,f=-4.9!) USER MOD Single : A 43 LYS NZ :NH3+ 170:sc= -0.0118 (180deg=-0.127) USER MOD Single : A 48 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 54 ASN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 55 GLN : amide:sc= -1.87! C(o=-1.9!,f=-6.9!) USER MOD Single : A 63 LYS NZ :NH3+ 155:sc= -0.235 (180deg=-2.01!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.002 -23.595 -14.556 1.00 0.00 N ATOM 2 CA GLY A 1 14.387 -23.113 -14.406 1.00 0.00 C ATOM 3 C GLY A 1 15.317 -24.258 -14.082 1.00 0.00 C ATOM 4 O GLY A 1 14.847 -25.385 -13.911 1.00 0.00 O ATOM 0 H1 GLY A 1 12.348 -22.914 -14.119 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.776 -23.693 -15.566 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.903 -24.519 -14.088 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.709 -22.625 -15.326 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.434 -22.365 -13.615 1.00 0.00 H new ATOM 10 N PRO A 2 16.648 -24.020 -14.009 1.00 0.00 N ATOM 11 CA PRO A 2 17.621 -25.072 -13.649 1.00 0.00 C ATOM 12 C PRO A 2 17.283 -25.705 -12.297 1.00 0.00 C ATOM 13 O PRO A 2 17.281 -26.924 -12.149 1.00 0.00 O ATOM 14 CB PRO A 2 18.947 -24.304 -13.563 1.00 0.00 C ATOM 15 CG PRO A 2 18.750 -23.138 -14.468 1.00 0.00 C ATOM 16 CD PRO A 2 17.314 -22.734 -14.292 1.00 0.00 C ATOM 0 HA PRO A 2 17.637 -25.894 -14.365 1.00 0.00 H new ATOM 0 HB2 PRO A 2 19.158 -23.985 -12.542 1.00 0.00 H new ATOM 0 HB3 PRO A 2 19.787 -24.921 -13.884 1.00 0.00 H new ATOM 0 HG2 PRO A 2 19.423 -22.321 -14.208 1.00 0.00 H new ATOM 0 HG3 PRO A 2 18.959 -23.405 -15.504 1.00 0.00 H new ATOM 0 HD2 PRO A 2 17.190 -22.025 -13.473 1.00 0.00 H new ATOM 0 HD3 PRO A 2 16.914 -22.259 -15.188 1.00 0.00 H new ATOM 24 N LEU A 3 16.984 -24.860 -11.325 1.00 0.00 N ATOM 25 CA LEU A 3 16.477 -25.298 -10.032 1.00 0.00 C ATOM 26 C LEU A 3 15.366 -24.353 -9.619 1.00 0.00 C ATOM 27 O LEU A 3 14.212 -24.749 -9.471 1.00 0.00 O ATOM 28 CB LEU A 3 17.577 -25.316 -8.942 1.00 0.00 C ATOM 29 CG LEU A 3 18.707 -26.357 -9.073 1.00 0.00 C ATOM 30 CD1 LEU A 3 19.773 -25.905 -10.061 1.00 0.00 C ATOM 31 CD2 LEU A 3 19.328 -26.645 -7.716 1.00 0.00 C ATOM 0 H LEU A 3 17.086 -23.849 -11.409 1.00 0.00 H new ATOM 0 HA LEU A 3 16.112 -26.320 -10.131 1.00 0.00 H new ATOM 0 HB2 LEU A 3 18.035 -24.327 -8.913 1.00 0.00 H new ATOM 0 HB3 LEU A 3 17.091 -25.470 -7.979 1.00 0.00 H new ATOM 0 HG LEU A 3 18.265 -27.276 -9.459 1.00 0.00 H new ATOM 0 HD11 LEU A 3 20.553 -26.664 -10.127 1.00 0.00 H new ATOM 0 HD12 LEU A 3 19.322 -25.762 -11.043 1.00 0.00 H new ATOM 0 HD13 LEU A 3 20.209 -24.965 -9.721 1.00 0.00 H new ATOM 0 HD21 LEU A 3 20.123 -27.382 -7.829 1.00 0.00 H new ATOM 0 HD22 LEU A 3 19.741 -25.725 -7.302 1.00 0.00 H new ATOM 0 HD23 LEU A 3 18.565 -27.035 -7.042 1.00 0.00 H new ATOM 43 N GLY A 4 15.732 -23.098 -9.464 1.00 0.00 N ATOM 44 CA GLY A 4 14.798 -22.044 -9.159 1.00 0.00 C ATOM 45 C GLY A 4 15.467 -20.704 -9.339 1.00 0.00 C ATOM 46 O GLY A 4 16.428 -20.397 -8.632 1.00 0.00 O ATOM 0 H GLY A 4 16.698 -22.781 -9.548 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.927 -22.117 -9.810 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.440 -22.148 -8.135 1.00 0.00 H new ATOM 50 N SER A 5 15.001 -19.924 -10.289 1.00 0.00 N ATOM 51 CA SER A 5 15.621 -18.649 -10.591 1.00 0.00 C ATOM 52 C SER A 5 14.636 -17.731 -11.303 1.00 0.00 C ATOM 53 O SER A 5 13.691 -18.200 -11.938 1.00 0.00 O ATOM 54 CB SER A 5 16.869 -18.874 -11.467 1.00 0.00 C ATOM 55 OG SER A 5 17.536 -17.656 -11.767 1.00 0.00 O ATOM 0 H SER A 5 14.192 -20.149 -10.868 1.00 0.00 H new ATOM 0 HA SER A 5 15.920 -18.172 -9.658 1.00 0.00 H new ATOM 0 HB2 SER A 5 17.556 -19.546 -10.953 1.00 0.00 H new ATOM 0 HB3 SER A 5 16.577 -19.365 -12.395 1.00 0.00 H new ATOM 0 HG SER A 5 18.322 -17.842 -12.322 1.00 0.00 H new ATOM 61 N LYS A 6 14.865 -16.425 -11.199 1.00 0.00 N ATOM 62 CA LYS A 6 14.052 -15.430 -11.894 1.00 0.00 C ATOM 63 C LYS A 6 14.437 -15.378 -13.368 1.00 0.00 C ATOM 64 O LYS A 6 13.783 -14.721 -14.184 1.00 0.00 O ATOM 65 CB LYS A 6 14.195 -14.041 -11.249 1.00 0.00 C ATOM 66 CG LYS A 6 15.571 -13.403 -11.381 1.00 0.00 C ATOM 67 CD LYS A 6 15.592 -12.034 -10.724 1.00 0.00 C ATOM 68 CE LYS A 6 16.954 -11.367 -10.844 1.00 0.00 C ATOM 69 NZ LYS A 6 16.967 -10.019 -10.217 1.00 0.00 N ATOM 0 H LYS A 6 15.615 -16.027 -10.634 1.00 0.00 H new ATOM 0 HA LYS A 6 13.006 -15.727 -11.811 1.00 0.00 H new ATOM 0 HB2 LYS A 6 13.458 -13.373 -11.696 1.00 0.00 H new ATOM 0 HB3 LYS A 6 13.950 -14.123 -10.190 1.00 0.00 H new ATOM 0 HG2 LYS A 6 16.321 -14.045 -10.919 1.00 0.00 H new ATOM 0 HG3 LYS A 6 15.835 -13.311 -12.434 1.00 0.00 H new ATOM 0 HD2 LYS A 6 14.835 -11.399 -11.184 1.00 0.00 H new ATOM 0 HD3 LYS A 6 15.328 -12.133 -9.671 1.00 0.00 H new ATOM 0 HE2 LYS A 6 17.709 -11.995 -10.371 1.00 0.00 H new ATOM 0 HE3 LYS A 6 17.225 -11.281 -11.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 17.912 -9.597 -10.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 16.264 -9.412 -10.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 16.734 -10.104 -9.207 1.00 0.00 H new ATOM 83 N TYR A 7 15.502 -16.095 -13.696 1.00 0.00 N ATOM 84 CA TYR A 7 16.018 -16.205 -15.048 1.00 0.00 C ATOM 85 C TYR A 7 15.196 -17.273 -15.801 1.00 0.00 C ATOM 86 O TYR A 7 15.732 -18.183 -16.429 1.00 0.00 O ATOM 87 CB TYR A 7 17.511 -16.593 -14.960 1.00 0.00 C ATOM 88 CG TYR A 7 18.301 -16.478 -16.252 1.00 0.00 C ATOM 89 CD1 TYR A 7 18.656 -15.237 -16.756 1.00 0.00 C ATOM 90 CD2 TYR A 7 18.702 -17.605 -16.954 1.00 0.00 C ATOM 91 CE1 TYR A 7 19.382 -15.119 -17.926 1.00 0.00 C ATOM 92 CE2 TYR A 7 19.432 -17.498 -18.121 1.00 0.00 C ATOM 93 CZ TYR A 7 19.767 -16.251 -18.604 1.00 0.00 C ATOM 94 OH TYR A 7 20.498 -16.138 -19.765 1.00 0.00 O ATOM 0 H TYR A 7 16.041 -16.627 -13.013 1.00 0.00 H new ATOM 0 HA TYR A 7 15.933 -15.264 -15.591 1.00 0.00 H new ATOM 0 HB2 TYR A 7 17.987 -15.964 -14.208 1.00 0.00 H new ATOM 0 HB3 TYR A 7 17.579 -17.621 -14.605 1.00 0.00 H new ATOM 0 HD1 TYR A 7 18.360 -14.345 -16.224 1.00 0.00 H new ATOM 0 HD2 TYR A 7 18.439 -18.584 -16.581 1.00 0.00 H new ATOM 0 HE1 TYR A 7 19.645 -14.143 -18.306 1.00 0.00 H new ATOM 0 HE2 TYR A 7 19.739 -18.387 -18.653 1.00 0.00 H new ATOM 0 HH TYR A 7 20.690 -17.031 -20.119 1.00 0.00 H new ATOM 104 N GLU A 8 13.885 -17.128 -15.718 1.00 0.00 N ATOM 105 CA GLU A 8 12.934 -18.056 -16.285 1.00 0.00 C ATOM 106 C GLU A 8 11.782 -17.284 -16.918 1.00 0.00 C ATOM 107 O GLU A 8 11.413 -16.211 -16.432 1.00 0.00 O ATOM 108 CB GLU A 8 12.395 -18.951 -15.172 1.00 0.00 C ATOM 109 CG GLU A 8 11.382 -19.990 -15.612 1.00 0.00 C ATOM 110 CD GLU A 8 10.868 -20.793 -14.449 1.00 0.00 C ATOM 111 OE1 GLU A 8 10.447 -20.188 -13.439 1.00 0.00 O ATOM 112 OE2 GLU A 8 10.902 -22.031 -14.516 1.00 0.00 O ATOM 0 H GLU A 8 13.446 -16.340 -15.242 1.00 0.00 H new ATOM 0 HA GLU A 8 13.421 -18.664 -17.048 1.00 0.00 H new ATOM 0 HB2 GLU A 8 13.234 -19.462 -14.700 1.00 0.00 H new ATOM 0 HB3 GLU A 8 11.937 -18.320 -14.410 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.548 -19.497 -16.111 1.00 0.00 H new ATOM 0 HG3 GLU A 8 11.839 -20.658 -16.342 1.00 0.00 H new ATOM 119 N CYS A 9 11.236 -17.822 -17.998 1.00 0.00 N ATOM 120 CA CYS A 9 10.080 -17.252 -18.661 1.00 0.00 C ATOM 121 C CYS A 9 8.816 -17.847 -18.048 1.00 0.00 C ATOM 122 O CYS A 9 8.514 -19.024 -18.262 1.00 0.00 O ATOM 123 CB CYS A 9 10.153 -17.587 -20.160 1.00 0.00 C ATOM 124 SG CYS A 9 8.756 -17.023 -21.199 1.00 0.00 S ATOM 0 H CYS A 9 11.587 -18.672 -18.439 1.00 0.00 H new ATOM 0 HA CYS A 9 10.062 -16.169 -18.536 1.00 0.00 H new ATOM 0 HB2 CYS A 9 11.070 -17.156 -20.560 1.00 0.00 H new ATOM 0 HB3 CYS A 9 10.238 -18.669 -20.263 1.00 0.00 H new ATOM 129 N PRO A 10 8.063 -17.051 -17.261 1.00 0.00 N ATOM 130 CA PRO A 10 6.851 -17.528 -16.572 1.00 0.00 C ATOM 131 C PRO A 10 5.752 -17.967 -17.540 1.00 0.00 C ATOM 132 O PRO A 10 4.854 -18.717 -17.168 1.00 0.00 O ATOM 133 CB PRO A 10 6.379 -16.292 -15.789 1.00 0.00 C ATOM 134 CG PRO A 10 7.585 -15.429 -15.678 1.00 0.00 C ATOM 135 CD PRO A 10 8.347 -15.643 -16.947 1.00 0.00 C ATOM 0 HA PRO A 10 7.063 -18.403 -15.957 1.00 0.00 H new ATOM 0 HB2 PRO A 10 5.572 -15.778 -16.310 1.00 0.00 H new ATOM 0 HB3 PRO A 10 5.998 -16.568 -14.806 1.00 0.00 H new ATOM 0 HG2 PRO A 10 7.308 -14.382 -15.558 1.00 0.00 H new ATOM 0 HG3 PRO A 10 8.184 -15.702 -14.809 1.00 0.00 H new ATOM 0 HD2 PRO A 10 8.009 -14.975 -17.740 1.00 0.00 H new ATOM 0 HD3 PRO A 10 9.414 -15.465 -16.813 1.00 0.00 H new ATOM 143 N ILE A 11 5.824 -17.499 -18.776 1.00 0.00 N ATOM 144 CA ILE A 11 4.830 -17.859 -19.773 1.00 0.00 C ATOM 145 C ILE A 11 4.898 -19.352 -20.126 1.00 0.00 C ATOM 146 O ILE A 11 3.868 -20.031 -20.191 1.00 0.00 O ATOM 147 CB ILE A 11 4.942 -16.980 -21.050 1.00 0.00 C ATOM 148 CG1 ILE A 11 4.568 -15.537 -20.707 1.00 0.00 C ATOM 149 CG2 ILE A 11 4.043 -17.512 -22.166 1.00 0.00 C ATOM 150 CD1 ILE A 11 4.822 -14.555 -21.826 1.00 0.00 C ATOM 0 H ILE A 11 6.556 -16.873 -19.111 1.00 0.00 H new ATOM 0 HA ILE A 11 3.854 -17.665 -19.328 1.00 0.00 H new ATOM 0 HB ILE A 11 5.971 -17.014 -21.409 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.512 -15.500 -20.437 1.00 0.00 H new ATOM 0 HG13 ILE A 11 5.132 -15.225 -19.828 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.142 -16.877 -23.047 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.339 -18.530 -22.417 1.00 0.00 H new ATOM 0 HG23 ILE A 11 3.006 -17.508 -21.831 1.00 0.00 H new ATOM 0 HD11 ILE A 11 4.531 -13.555 -21.505 1.00 0.00 H new ATOM 0 HD12 ILE A 11 5.882 -14.561 -22.082 1.00 0.00 H new ATOM 0 HD13 ILE A 11 4.236 -14.840 -22.700 1.00 0.00 H new ATOM 162 N CYS A 12 6.109 -19.863 -20.319 1.00 0.00 N ATOM 163 CA CYS A 12 6.286 -21.257 -20.685 1.00 0.00 C ATOM 164 C CYS A 12 6.719 -22.109 -19.489 1.00 0.00 C ATOM 165 O CYS A 12 6.565 -23.331 -19.500 1.00 0.00 O ATOM 166 CB CYS A 12 7.266 -21.389 -21.857 1.00 0.00 C ATOM 167 SG CYS A 12 8.893 -20.595 -21.598 1.00 0.00 S ATOM 0 H CYS A 12 6.976 -19.334 -20.228 1.00 0.00 H new ATOM 0 HA CYS A 12 5.319 -21.641 -21.010 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.424 -22.448 -22.061 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.806 -20.958 -22.746 1.00 0.00 H new ATOM 172 N LEU A 13 7.263 -21.442 -18.466 1.00 0.00 N ATOM 173 CA LEU A 13 7.732 -22.077 -17.222 1.00 0.00 C ATOM 174 C LEU A 13 8.815 -23.123 -17.463 1.00 0.00 C ATOM 175 O LEU A 13 9.041 -23.998 -16.626 1.00 0.00 O ATOM 176 CB LEU A 13 6.559 -22.697 -16.447 1.00 0.00 C ATOM 177 CG LEU A 13 5.535 -21.718 -15.875 1.00 0.00 C ATOM 178 CD1 LEU A 13 4.350 -22.475 -15.298 1.00 0.00 C ATOM 179 CD2 LEU A 13 6.173 -20.847 -14.800 1.00 0.00 C ATOM 0 H LEU A 13 7.394 -20.430 -18.475 1.00 0.00 H new ATOM 0 HA LEU A 13 8.179 -21.284 -16.622 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.039 -23.389 -17.109 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.965 -23.287 -15.625 1.00 0.00 H new ATOM 0 HG LEU A 13 5.184 -21.074 -16.682 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.627 -21.766 -14.894 1.00 0.00 H new ATOM 0 HD12 LEU A 13 3.878 -23.066 -16.083 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.693 -23.137 -14.503 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.430 -20.156 -14.403 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.547 -21.479 -13.994 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.999 -20.283 -15.232 1.00 0.00 H new ATOM 191 N MET A 14 9.497 -23.028 -18.583 1.00 0.00 N ATOM 192 CA MET A 14 10.598 -23.932 -18.854 1.00 0.00 C ATOM 193 C MET A 14 11.923 -23.273 -18.513 1.00 0.00 C ATOM 194 O MET A 14 12.612 -23.676 -17.567 1.00 0.00 O ATOM 195 CB MET A 14 10.587 -24.404 -20.311 1.00 0.00 C ATOM 196 CG MET A 14 9.386 -25.267 -20.668 1.00 0.00 C ATOM 197 SD MET A 14 9.427 -25.874 -22.368 1.00 0.00 S ATOM 198 CE MET A 14 9.163 -24.359 -23.288 1.00 0.00 C ATOM 0 H MET A 14 9.313 -22.342 -19.315 1.00 0.00 H new ATOM 0 HA MET A 14 10.474 -24.811 -18.221 1.00 0.00 H new ATOM 0 HB2 MET A 14 10.604 -23.533 -20.966 1.00 0.00 H new ATOM 0 HB3 MET A 14 11.499 -24.968 -20.507 1.00 0.00 H new ATOM 0 HG2 MET A 14 9.342 -26.117 -19.987 1.00 0.00 H new ATOM 0 HG3 MET A 14 8.474 -24.690 -20.517 1.00 0.00 H new ATOM 0 HE1 MET A 14 9.877 -24.303 -24.110 1.00 0.00 H new ATOM 0 HE2 MET A 14 8.149 -24.348 -23.687 1.00 0.00 H new ATOM 0 HE3 MET A 14 9.303 -23.503 -22.628 1.00 0.00 H new ATOM 208 N ALA A 15 12.246 -22.235 -19.260 1.00 0.00 N ATOM 209 CA ALA A 15 13.493 -21.507 -19.131 1.00 0.00 C ATOM 210 C ALA A 15 13.420 -20.300 -20.042 1.00 0.00 C ATOM 211 O ALA A 15 12.349 -19.991 -20.564 1.00 0.00 O ATOM 212 CB ALA A 15 14.666 -22.399 -19.541 1.00 0.00 C ATOM 0 H ALA A 15 11.635 -21.867 -19.989 1.00 0.00 H new ATOM 0 HA ALA A 15 13.646 -21.196 -18.097 1.00 0.00 H new ATOM 0 HB1 ALA A 15 15.598 -21.843 -19.441 1.00 0.00 H new ATOM 0 HB2 ALA A 15 14.697 -23.278 -18.898 1.00 0.00 H new ATOM 0 HB3 ALA A 15 14.540 -22.712 -20.577 1.00 0.00 H new ATOM 218 N LEU A 16 14.527 -19.622 -20.227 1.00 0.00 N ATOM 219 CA LEU A 16 14.591 -18.526 -21.170 1.00 0.00 C ATOM 220 C LEU A 16 15.239 -19.002 -22.448 1.00 0.00 C ATOM 221 O LEU A 16 16.437 -19.264 -22.480 1.00 0.00 O ATOM 222 CB LEU A 16 15.403 -17.358 -20.601 1.00 0.00 C ATOM 223 CG LEU A 16 14.843 -16.662 -19.365 1.00 0.00 C ATOM 224 CD1 LEU A 16 15.799 -15.588 -18.887 1.00 0.00 C ATOM 225 CD2 LEU A 16 13.501 -16.046 -19.677 1.00 0.00 C ATOM 0 H LEU A 16 15.401 -19.809 -19.736 1.00 0.00 H new ATOM 0 HA LEU A 16 13.576 -18.182 -21.366 1.00 0.00 H new ATOM 0 HB2 LEU A 16 16.401 -17.725 -20.360 1.00 0.00 H new ATOM 0 HB3 LEU A 16 15.519 -16.611 -21.387 1.00 0.00 H new ATOM 0 HG LEU A 16 14.721 -17.404 -18.576 1.00 0.00 H new ATOM 0 HD11 LEU A 16 15.386 -15.100 -18.004 1.00 0.00 H new ATOM 0 HD12 LEU A 16 16.758 -16.040 -18.636 1.00 0.00 H new ATOM 0 HD13 LEU A 16 15.941 -14.850 -19.676 1.00 0.00 H new ATOM 0 HD21 LEU A 16 13.112 -15.552 -18.787 1.00 0.00 H new ATOM 0 HD22 LEU A 16 13.614 -15.315 -20.478 1.00 0.00 H new ATOM 0 HD23 LEU A 16 12.807 -16.825 -19.992 1.00 0.00 H new ATOM 237 N ARG A 17 14.451 -19.134 -23.496 1.00 0.00 N ATOM 238 CA ARG A 17 14.981 -19.560 -24.773 1.00 0.00 C ATOM 239 C ARG A 17 15.852 -18.471 -25.378 1.00 0.00 C ATOM 240 O ARG A 17 16.920 -18.745 -25.927 1.00 0.00 O ATOM 241 CB ARG A 17 13.856 -19.959 -25.739 1.00 0.00 C ATOM 242 CG ARG A 17 14.335 -20.485 -27.098 1.00 0.00 C ATOM 243 CD ARG A 17 15.078 -21.821 -26.971 1.00 0.00 C ATOM 244 NE ARG A 17 16.371 -21.688 -26.283 1.00 0.00 N ATOM 245 CZ ARG A 17 16.823 -22.522 -25.336 1.00 0.00 C ATOM 246 NH1 ARG A 17 16.095 -23.570 -24.956 1.00 0.00 N ATOM 247 NH2 ARG A 17 18.007 -22.304 -24.777 1.00 0.00 N ATOM 0 H ARG A 17 13.447 -18.953 -23.488 1.00 0.00 H new ATOM 0 HA ARG A 17 15.599 -20.442 -24.603 1.00 0.00 H new ATOM 0 HB2 ARG A 17 13.242 -20.724 -25.264 1.00 0.00 H new ATOM 0 HB3 ARG A 17 13.214 -19.094 -25.905 1.00 0.00 H new ATOM 0 HG2 ARG A 17 13.478 -20.609 -27.761 1.00 0.00 H new ATOM 0 HG3 ARG A 17 14.992 -19.748 -27.560 1.00 0.00 H new ATOM 0 HD2 ARG A 17 14.453 -22.529 -26.427 1.00 0.00 H new ATOM 0 HD3 ARG A 17 15.241 -22.237 -27.965 1.00 0.00 H new ATOM 0 HE ARG A 17 16.968 -20.904 -26.546 1.00 0.00 H new ATOM 0 HH11 ARG A 17 15.186 -23.743 -25.386 1.00 0.00 H new ATOM 0 HH12 ARG A 17 16.446 -24.200 -24.235 1.00 0.00 H new ATOM 0 HH21 ARG A 17 18.569 -21.504 -25.068 1.00 0.00 H new ATOM 0 HH22 ARG A 17 18.355 -22.936 -24.056 1.00 0.00 H new ATOM 261 N GLU A 18 15.384 -17.235 -25.278 1.00 0.00 N ATOM 262 CA GLU A 18 16.103 -16.113 -25.857 1.00 0.00 C ATOM 263 C GLU A 18 16.530 -15.110 -24.791 1.00 0.00 C ATOM 264 O GLU A 18 17.378 -14.265 -25.043 1.00 0.00 O ATOM 265 CB GLU A 18 15.231 -15.439 -26.902 1.00 0.00 C ATOM 266 CG GLU A 18 14.814 -16.374 -28.020 1.00 0.00 C ATOM 267 CD GLU A 18 13.957 -15.696 -29.046 1.00 0.00 C ATOM 268 OE1 GLU A 18 14.489 -14.879 -29.822 1.00 0.00 O ATOM 269 OE2 GLU A 18 12.745 -15.959 -29.079 1.00 0.00 O ATOM 0 H GLU A 18 14.516 -16.986 -24.804 1.00 0.00 H new ATOM 0 HA GLU A 18 17.010 -16.492 -26.328 1.00 0.00 H new ATOM 0 HB2 GLU A 18 14.339 -15.039 -26.419 1.00 0.00 H new ATOM 0 HB3 GLU A 18 15.771 -14.593 -27.326 1.00 0.00 H new ATOM 0 HG2 GLU A 18 15.704 -16.777 -28.503 1.00 0.00 H new ATOM 0 HG3 GLU A 18 14.270 -17.219 -27.598 1.00 0.00 H new ATOM 276 N ALA A 19 15.930 -15.227 -23.606 1.00 0.00 N ATOM 277 CA ALA A 19 16.240 -14.370 -22.454 1.00 0.00 C ATOM 278 C ALA A 19 16.106 -12.875 -22.758 1.00 0.00 C ATOM 279 O ALA A 19 17.096 -12.194 -23.053 1.00 0.00 O ATOM 280 CB ALA A 19 17.620 -14.689 -21.884 1.00 0.00 C ATOM 0 H ALA A 19 15.210 -15.923 -23.414 1.00 0.00 H new ATOM 0 HA ALA A 19 15.489 -14.598 -21.698 1.00 0.00 H new ATOM 0 HB1 ALA A 19 17.821 -14.039 -21.033 1.00 0.00 H new ATOM 0 HB2 ALA A 19 17.648 -15.730 -21.561 1.00 0.00 H new ATOM 0 HB3 ALA A 19 18.377 -14.527 -22.651 1.00 0.00 H new ATOM 286 N VAL A 20 14.889 -12.367 -22.699 1.00 0.00 N ATOM 287 CA VAL A 20 14.674 -10.952 -22.896 1.00 0.00 C ATOM 288 C VAL A 20 14.122 -10.308 -21.624 1.00 0.00 C ATOM 289 O VAL A 20 13.034 -10.656 -21.147 1.00 0.00 O ATOM 290 CB VAL A 20 13.770 -10.641 -24.136 1.00 0.00 C ATOM 291 CG1 VAL A 20 14.364 -11.262 -25.382 1.00 0.00 C ATOM 292 CG2 VAL A 20 12.334 -11.116 -23.955 1.00 0.00 C ATOM 0 H VAL A 20 14.044 -12.909 -22.518 1.00 0.00 H new ATOM 0 HA VAL A 20 15.646 -10.509 -23.113 1.00 0.00 H new ATOM 0 HB VAL A 20 13.738 -9.556 -24.239 1.00 0.00 H new ATOM 0 HG11 VAL A 20 13.727 -11.040 -26.238 1.00 0.00 H new ATOM 0 HG12 VAL A 20 15.359 -10.852 -25.554 1.00 0.00 H new ATOM 0 HG13 VAL A 20 14.434 -12.342 -25.253 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.755 -10.873 -24.846 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.325 -12.195 -23.799 1.00 0.00 H new ATOM 0 HG23 VAL A 20 11.893 -10.621 -23.090 1.00 0.00 H new ATOM 302 N GLN A 21 14.904 -9.424 -21.039 1.00 0.00 N ATOM 303 CA GLN A 21 14.467 -8.699 -19.869 1.00 0.00 C ATOM 304 C GLN A 21 13.594 -7.519 -20.274 1.00 0.00 C ATOM 305 O GLN A 21 13.963 -6.730 -21.153 1.00 0.00 O ATOM 306 CB GLN A 21 15.661 -8.254 -19.013 1.00 0.00 C ATOM 307 CG GLN A 21 15.268 -7.550 -17.715 1.00 0.00 C ATOM 308 CD GLN A 21 16.452 -7.260 -16.804 1.00 0.00 C ATOM 309 OE1 GLN A 21 16.308 -7.201 -15.578 1.00 0.00 O ATOM 310 NE2 GLN A 21 17.620 -7.089 -17.383 1.00 0.00 N ATOM 0 H GLN A 21 15.845 -9.192 -21.356 1.00 0.00 H new ATOM 0 HA GLN A 21 13.865 -9.367 -19.253 1.00 0.00 H new ATOM 0 HB2 GLN A 21 16.267 -9.127 -18.771 1.00 0.00 H new ATOM 0 HB3 GLN A 21 16.288 -7.584 -19.602 1.00 0.00 H new ATOM 0 HG2 GLN A 21 14.766 -6.613 -17.956 1.00 0.00 H new ATOM 0 HG3 GLN A 21 14.549 -8.168 -17.178 1.00 0.00 H new ATOM 0 HE21 GLN A 21 17.699 -7.145 -18.398 1.00 0.00 H new ATOM 0 HE22 GLN A 21 18.447 -6.900 -16.817 1.00 0.00 H new ATOM 319 N THR A 22 12.450 -7.421 -19.654 1.00 0.00 N ATOM 320 CA THR A 22 11.500 -6.369 -19.913 1.00 0.00 C ATOM 321 C THR A 22 11.943 -5.077 -19.221 1.00 0.00 C ATOM 322 O THR A 22 12.867 -5.101 -18.394 1.00 0.00 O ATOM 323 CB THR A 22 10.107 -6.781 -19.392 1.00 0.00 C ATOM 324 OG1 THR A 22 10.172 -7.015 -17.978 1.00 0.00 O ATOM 325 CG2 THR A 22 9.648 -8.050 -20.083 1.00 0.00 C ATOM 0 H THR A 22 12.144 -8.082 -18.940 1.00 0.00 H new ATOM 0 HA THR A 22 11.449 -6.199 -20.988 1.00 0.00 H new ATOM 0 HB THR A 22 9.400 -5.978 -19.602 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.384 -6.625 -17.545 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.664 -8.333 -19.709 1.00 0.00 H new ATOM 0 HG22 THR A 22 9.592 -7.879 -21.158 1.00 0.00 H new ATOM 0 HG23 THR A 22 10.358 -8.852 -19.880 1.00 0.00 H new ATOM 333 N PRO A 23 11.308 -3.925 -19.549 1.00 0.00 N ATOM 334 CA PRO A 23 11.613 -2.643 -18.902 1.00 0.00 C ATOM 335 C PRO A 23 11.426 -2.715 -17.389 1.00 0.00 C ATOM 336 O PRO A 23 12.077 -1.989 -16.637 1.00 0.00 O ATOM 337 CB PRO A 23 10.583 -1.681 -19.504 1.00 0.00 C ATOM 338 CG PRO A 23 10.220 -2.293 -20.807 1.00 0.00 C ATOM 339 CD PRO A 23 10.261 -3.775 -20.583 1.00 0.00 C ATOM 0 HA PRO A 23 12.648 -2.341 -19.065 1.00 0.00 H new ATOM 0 HB2 PRO A 23 9.711 -1.577 -18.858 1.00 0.00 H new ATOM 0 HB3 PRO A 23 11.002 -0.683 -19.637 1.00 0.00 H new ATOM 0 HG2 PRO A 23 9.229 -1.973 -21.128 1.00 0.00 H new ATOM 0 HG3 PRO A 23 10.920 -1.995 -21.588 1.00 0.00 H new ATOM 0 HD2 PRO A 23 9.299 -4.159 -20.243 1.00 0.00 H new ATOM 0 HD3 PRO A 23 10.514 -4.315 -21.496 1.00 0.00 H new ATOM 347 N CYS A 24 10.526 -3.580 -16.950 1.00 0.00 N ATOM 348 CA CYS A 24 10.224 -3.705 -15.550 1.00 0.00 C ATOM 349 C CYS A 24 11.198 -4.640 -14.822 1.00 0.00 C ATOM 350 O CYS A 24 11.346 -4.566 -13.599 1.00 0.00 O ATOM 351 CB CYS A 24 8.787 -4.147 -15.364 1.00 0.00 C ATOM 352 SG CYS A 24 8.359 -5.752 -16.109 1.00 0.00 S ATOM 0 H CYS A 24 9.994 -4.206 -17.555 1.00 0.00 H new ATOM 0 HA CYS A 24 10.349 -2.722 -15.096 1.00 0.00 H new ATOM 0 HB2 CYS A 24 8.575 -4.194 -14.296 1.00 0.00 H new ATOM 0 HB3 CYS A 24 8.133 -3.384 -15.786 1.00 0.00 H new ATOM 357 N GLY A 25 11.858 -5.516 -15.565 1.00 0.00 N ATOM 358 CA GLY A 25 12.831 -6.397 -14.950 1.00 0.00 C ATOM 359 C GLY A 25 12.444 -7.864 -14.996 1.00 0.00 C ATOM 360 O GLY A 25 13.139 -8.704 -14.433 1.00 0.00 O ATOM 0 H GLY A 25 11.740 -5.633 -16.571 1.00 0.00 H new ATOM 0 HA2 GLY A 25 13.791 -6.268 -15.450 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.970 -6.100 -13.911 1.00 0.00 H new ATOM 364 N HIS A 26 11.343 -8.176 -15.647 1.00 0.00 N ATOM 365 CA HIS A 26 10.925 -9.568 -15.807 1.00 0.00 C ATOM 366 C HIS A 26 11.542 -10.153 -17.055 1.00 0.00 C ATOM 367 O HIS A 26 11.801 -9.433 -18.008 1.00 0.00 O ATOM 368 CB HIS A 26 9.394 -9.709 -15.837 1.00 0.00 C ATOM 369 CG HIS A 26 8.741 -9.456 -14.516 1.00 0.00 C ATOM 370 ND1 HIS A 26 7.950 -8.349 -14.244 1.00 0.00 N ATOM 371 CD2 HIS A 26 8.772 -10.179 -13.373 1.00 0.00 C ATOM 372 CE1 HIS A 26 7.537 -8.416 -12.993 1.00 0.00 C ATOM 373 NE2 HIS A 26 8.019 -9.510 -12.445 1.00 0.00 N ATOM 0 H HIS A 26 10.718 -7.493 -16.075 1.00 0.00 H new ATOM 0 HA HIS A 26 11.280 -10.125 -14.940 1.00 0.00 H new ATOM 0 HB2 HIS A 26 8.988 -9.014 -16.572 1.00 0.00 H new ATOM 0 HB3 HIS A 26 9.137 -10.714 -16.173 1.00 0.00 H new ATOM 0 HD1 HIS A 26 7.725 -7.605 -14.904 1.00 0.00 H new ATOM 0 HD2 HIS A 26 9.294 -11.112 -13.220 1.00 0.00 H new ATOM 0 HE1 HIS A 26 6.906 -7.691 -12.500 1.00 0.00 H new ATOM 380 N ARG A 27 11.800 -11.438 -17.059 1.00 0.00 N ATOM 381 CA ARG A 27 12.457 -12.039 -18.196 1.00 0.00 C ATOM 382 C ARG A 27 11.552 -13.055 -18.861 1.00 0.00 C ATOM 383 O ARG A 27 10.892 -13.845 -18.189 1.00 0.00 O ATOM 384 CB ARG A 27 13.777 -12.678 -17.771 1.00 0.00 C ATOM 385 CG ARG A 27 14.735 -11.685 -17.143 1.00 0.00 C ATOM 386 CD ARG A 27 16.058 -12.317 -16.773 1.00 0.00 C ATOM 387 NE ARG A 27 16.904 -11.374 -16.039 1.00 0.00 N ATOM 388 CZ ARG A 27 18.231 -11.284 -16.132 1.00 0.00 C ATOM 389 NH1 ARG A 27 18.887 -11.950 -17.074 1.00 0.00 N ATOM 390 NH2 ARG A 27 18.892 -10.486 -15.306 1.00 0.00 N ATOM 0 H ARG A 27 11.570 -12.080 -16.301 1.00 0.00 H new ATOM 0 HA ARG A 27 12.675 -11.257 -18.924 1.00 0.00 H new ATOM 0 HB2 ARG A 27 13.575 -13.480 -17.061 1.00 0.00 H new ATOM 0 HB3 ARG A 27 14.251 -13.134 -18.640 1.00 0.00 H new ATOM 0 HG2 ARG A 27 14.909 -10.863 -17.837 1.00 0.00 H new ATOM 0 HG3 ARG A 27 14.278 -11.257 -16.251 1.00 0.00 H new ATOM 0 HD2 ARG A 27 15.883 -13.204 -16.164 1.00 0.00 H new ATOM 0 HD3 ARG A 27 16.573 -12.646 -17.676 1.00 0.00 H new ATOM 0 HE ARG A 27 16.437 -10.730 -15.401 1.00 0.00 H new ATOM 0 HH11 ARG A 27 18.376 -12.536 -17.734 1.00 0.00 H new ATOM 0 HH12 ARG A 27 19.902 -11.876 -17.138 1.00 0.00 H new ATOM 0 HH21 ARG A 27 18.386 -9.946 -14.605 1.00 0.00 H new ATOM 0 HH22 ARG A 27 19.907 -10.412 -15.371 1.00 0.00 H new ATOM 404 N PHE A 28 11.518 -13.017 -20.172 1.00 0.00 N ATOM 405 CA PHE A 28 10.692 -13.907 -20.966 1.00 0.00 C ATOM 406 C PHE A 28 11.475 -14.348 -22.190 1.00 0.00 C ATOM 407 O PHE A 28 12.569 -13.839 -22.445 1.00 0.00 O ATOM 408 CB PHE A 28 9.408 -13.202 -21.422 1.00 0.00 C ATOM 409 CG PHE A 28 8.501 -12.740 -20.310 1.00 0.00 C ATOM 410 CD1 PHE A 28 7.558 -13.592 -19.767 1.00 0.00 C ATOM 411 CD2 PHE A 28 8.590 -11.449 -19.821 1.00 0.00 C ATOM 412 CE1 PHE A 28 6.719 -13.163 -18.752 1.00 0.00 C ATOM 413 CE2 PHE A 28 7.758 -11.018 -18.808 1.00 0.00 C ATOM 414 CZ PHE A 28 6.822 -11.875 -18.274 1.00 0.00 C ATOM 0 H PHE A 28 12.068 -12.361 -20.727 1.00 0.00 H new ATOM 0 HA PHE A 28 10.419 -14.767 -20.355 1.00 0.00 H new ATOM 0 HB2 PHE A 28 9.682 -12.339 -22.028 1.00 0.00 H new ATOM 0 HB3 PHE A 28 8.849 -13.880 -22.067 1.00 0.00 H new ATOM 0 HD1 PHE A 28 7.474 -14.603 -20.138 1.00 0.00 H new ATOM 0 HD2 PHE A 28 9.320 -10.770 -20.237 1.00 0.00 H new ATOM 0 HE1 PHE A 28 5.985 -13.837 -18.336 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.841 -10.008 -18.434 1.00 0.00 H new ATOM 0 HZ PHE A 28 6.170 -11.538 -17.482 1.00 0.00 H new ATOM 424 N CYS A 29 10.963 -15.313 -22.921 1.00 0.00 N ATOM 425 CA CYS A 29 11.540 -15.633 -24.212 1.00 0.00 C ATOM 426 C CYS A 29 10.954 -14.664 -25.233 1.00 0.00 C ATOM 427 O CYS A 29 9.790 -14.270 -25.110 1.00 0.00 O ATOM 428 CB CYS A 29 11.199 -17.063 -24.614 1.00 0.00 C ATOM 429 SG CYS A 29 11.526 -18.311 -23.330 1.00 0.00 S ATOM 0 H CYS A 29 10.161 -15.883 -22.652 1.00 0.00 H new ATOM 0 HA CYS A 29 12.625 -15.544 -24.166 1.00 0.00 H new ATOM 0 HB2 CYS A 29 10.144 -17.108 -24.886 1.00 0.00 H new ATOM 0 HB3 CYS A 29 11.769 -17.321 -25.506 1.00 0.00 H new ATOM 434 N LYS A 30 11.730 -14.304 -26.251 1.00 0.00 N ATOM 435 CA LYS A 30 11.317 -13.266 -27.199 1.00 0.00 C ATOM 436 C LYS A 30 10.151 -13.723 -28.087 1.00 0.00 C ATOM 437 O LYS A 30 9.557 -12.924 -28.805 1.00 0.00 O ATOM 438 CB LYS A 30 12.502 -12.749 -28.041 1.00 0.00 C ATOM 439 CG LYS A 30 12.270 -11.352 -28.614 1.00 0.00 C ATOM 440 CD LYS A 30 13.501 -10.773 -29.314 1.00 0.00 C ATOM 441 CE LYS A 30 13.750 -11.406 -30.681 1.00 0.00 C ATOM 442 NZ LYS A 30 14.829 -12.423 -30.660 1.00 0.00 N ATOM 0 H LYS A 30 12.645 -14.712 -26.443 1.00 0.00 H new ATOM 0 HA LYS A 30 10.954 -12.428 -26.603 1.00 0.00 H new ATOM 0 HB2 LYS A 30 13.400 -12.737 -27.423 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.688 -13.444 -28.860 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.442 -11.390 -29.322 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.970 -10.682 -27.809 1.00 0.00 H new ATOM 0 HD2 LYS A 30 13.374 -9.697 -29.433 1.00 0.00 H new ATOM 0 HD3 LYS A 30 14.377 -10.923 -28.683 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.829 -11.869 -31.034 1.00 0.00 H new ATOM 0 HE3 LYS A 30 14.008 -10.625 -31.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 15.011 -12.756 -31.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 15.696 -12.001 -30.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.538 -13.226 -30.067 1.00 0.00 H new ATOM 456 N ALA A 31 9.797 -14.992 -27.997 1.00 0.00 N ATOM 457 CA ALA A 31 8.725 -15.528 -28.817 1.00 0.00 C ATOM 458 C ALA A 31 7.534 -15.915 -27.958 1.00 0.00 C ATOM 459 O ALA A 31 6.421 -16.083 -28.464 1.00 0.00 O ATOM 460 CB ALA A 31 9.216 -16.732 -29.605 1.00 0.00 C ATOM 0 H ALA A 31 10.233 -15.667 -27.369 1.00 0.00 H new ATOM 0 HA ALA A 31 8.409 -14.754 -29.516 1.00 0.00 H new ATOM 0 HB1 ALA A 31 8.402 -17.124 -30.215 1.00 0.00 H new ATOM 0 HB2 ALA A 31 10.042 -16.432 -30.250 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.556 -17.504 -28.915 1.00 0.00 H new ATOM 466 N CYS A 32 7.759 -16.038 -26.662 1.00 0.00 N ATOM 467 CA CYS A 32 6.676 -16.293 -25.740 1.00 0.00 C ATOM 468 C CYS A 32 5.980 -14.987 -25.387 1.00 0.00 C ATOM 469 O CYS A 32 4.754 -14.895 -25.417 1.00 0.00 O ATOM 470 CB CYS A 32 7.198 -16.966 -24.463 1.00 0.00 C ATOM 471 SG CYS A 32 8.199 -18.464 -24.741 1.00 0.00 S ATOM 0 H CYS A 32 8.680 -15.965 -26.229 1.00 0.00 H new ATOM 0 HA CYS A 32 5.964 -16.965 -26.220 1.00 0.00 H new ATOM 0 HB2 CYS A 32 7.797 -16.244 -23.908 1.00 0.00 H new ATOM 0 HB3 CYS A 32 6.348 -17.226 -23.833 1.00 0.00 H new ATOM 476 N ILE A 33 6.772 -13.967 -25.078 1.00 0.00 N ATOM 477 CA ILE A 33 6.226 -12.696 -24.633 1.00 0.00 C ATOM 478 C ILE A 33 5.476 -11.952 -25.746 1.00 0.00 C ATOM 479 O ILE A 33 4.392 -11.432 -25.520 1.00 0.00 O ATOM 480 CB ILE A 33 7.300 -11.789 -23.970 1.00 0.00 C ATOM 481 CG1 ILE A 33 6.660 -10.565 -23.315 1.00 0.00 C ATOM 482 CG2 ILE A 33 8.380 -11.369 -24.959 1.00 0.00 C ATOM 483 CD1 ILE A 33 5.699 -10.906 -22.190 1.00 0.00 C ATOM 0 H ILE A 33 7.790 -13.997 -25.128 1.00 0.00 H new ATOM 0 HA ILE A 33 5.492 -12.942 -23.865 1.00 0.00 H new ATOM 0 HB ILE A 33 7.782 -12.381 -23.192 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.447 -9.920 -22.925 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.127 -9.994 -24.075 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.110 -10.736 -24.454 1.00 0.00 H new ATOM 0 HG22 ILE A 33 8.878 -12.255 -25.352 1.00 0.00 H new ATOM 0 HG23 ILE A 33 7.926 -10.814 -25.780 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.285 -9.987 -21.774 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.890 -11.526 -22.578 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.231 -11.450 -21.409 1.00 0.00 H new ATOM 495 N ILE A 34 6.025 -11.957 -26.953 1.00 0.00 N ATOM 496 CA ILE A 34 5.414 -11.248 -28.071 1.00 0.00 C ATOM 497 C ILE A 34 4.036 -11.817 -28.417 1.00 0.00 C ATOM 498 O ILE A 34 3.076 -11.072 -28.626 1.00 0.00 O ATOM 499 CB ILE A 34 6.341 -11.119 -29.311 1.00 0.00 C ATOM 500 CG1 ILE A 34 7.518 -10.189 -28.972 1.00 0.00 C ATOM 501 CG2 ILE A 34 5.574 -10.576 -30.514 1.00 0.00 C ATOM 502 CD1 ILE A 34 8.587 -10.108 -30.043 1.00 0.00 C ATOM 0 H ILE A 34 6.891 -12.443 -27.184 1.00 0.00 H new ATOM 0 HA ILE A 34 5.262 -10.224 -27.731 1.00 0.00 H new ATOM 0 HB ILE A 34 6.717 -12.108 -29.571 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.131 -9.187 -28.787 1.00 0.00 H new ATOM 0 HG13 ILE A 34 7.977 -10.529 -28.044 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.246 -10.496 -31.368 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.755 -11.253 -30.759 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.172 -9.592 -30.275 1.00 0.00 H new ATOM 0 HD11 ILE A 34 9.377 -9.430 -29.718 1.00 0.00 H new ATOM 0 HD12 ILE A 34 9.007 -11.099 -30.214 1.00 0.00 H new ATOM 0 HD13 ILE A 34 8.147 -9.736 -30.968 1.00 0.00 H new ATOM 514 N LYS A 35 3.923 -13.136 -28.406 1.00 0.00 N ATOM 515 CA LYS A 35 2.675 -13.801 -28.768 1.00 0.00 C ATOM 516 C LYS A 35 1.676 -13.717 -27.594 1.00 0.00 C ATOM 517 O LYS A 35 0.528 -14.154 -27.691 1.00 0.00 O ATOM 518 CB LYS A 35 2.967 -15.273 -29.142 1.00 0.00 C ATOM 519 CG LYS A 35 1.754 -16.096 -29.581 1.00 0.00 C ATOM 520 CD LYS A 35 1.143 -15.553 -30.866 1.00 0.00 C ATOM 521 CE LYS A 35 -0.103 -16.330 -31.268 1.00 0.00 C ATOM 522 NZ LYS A 35 0.193 -17.741 -31.611 1.00 0.00 N ATOM 0 H LYS A 35 4.680 -13.770 -28.150 1.00 0.00 H new ATOM 0 HA LYS A 35 2.229 -13.304 -29.630 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.703 -15.286 -29.946 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.425 -15.764 -28.283 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.052 -17.134 -29.730 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.004 -16.090 -28.790 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.889 -14.501 -30.732 1.00 0.00 H new ATOM 0 HD3 LYS A 35 1.879 -15.604 -31.669 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.824 -16.302 -30.451 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -0.571 -15.842 -32.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.663 -18.193 -31.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.947 -17.774 -32.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.503 -18.248 -30.758 1.00 0.00 H new ATOM 536 N SER A 36 2.112 -13.121 -26.501 1.00 0.00 N ATOM 537 CA SER A 36 1.250 -12.909 -25.362 1.00 0.00 C ATOM 538 C SER A 36 0.845 -11.433 -25.250 1.00 0.00 C ATOM 539 O SER A 36 -0.180 -11.108 -24.667 1.00 0.00 O ATOM 540 CB SER A 36 1.958 -13.366 -24.091 1.00 0.00 C ATOM 541 OG SER A 36 2.375 -14.717 -24.222 1.00 0.00 O ATOM 0 H SER A 36 3.064 -12.775 -26.381 1.00 0.00 H new ATOM 0 HA SER A 36 0.342 -13.496 -25.496 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.821 -12.728 -23.897 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.289 -13.265 -23.237 1.00 0.00 H new ATOM 0 HG SER A 36 3.305 -14.744 -24.531 1.00 0.00 H new ATOM 547 N ILE A 37 1.617 -10.545 -25.867 1.00 0.00 N ATOM 548 CA ILE A 37 1.348 -9.116 -25.739 1.00 0.00 C ATOM 549 C ILE A 37 0.672 -8.550 -26.981 1.00 0.00 C ATOM 550 O ILE A 37 0.205 -7.416 -26.985 1.00 0.00 O ATOM 551 CB ILE A 37 2.620 -8.306 -25.397 1.00 0.00 C ATOM 552 CG1 ILE A 37 3.691 -8.504 -26.466 1.00 0.00 C ATOM 553 CG2 ILE A 37 3.144 -8.687 -24.017 1.00 0.00 C ATOM 554 CD1 ILE A 37 4.933 -7.674 -26.255 1.00 0.00 C ATOM 0 H ILE A 37 2.420 -10.782 -26.450 1.00 0.00 H new ATOM 0 HA ILE A 37 0.657 -9.014 -24.902 1.00 0.00 H new ATOM 0 HB ILE A 37 2.359 -7.248 -25.378 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.971 -9.557 -26.494 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.266 -8.261 -27.440 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.039 -8.106 -23.795 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.381 -8.478 -23.268 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.387 -9.749 -24.001 1.00 0.00 H new ATOM 0 HD11 ILE A 37 5.644 -7.873 -27.057 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.669 -6.617 -26.258 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.385 -7.932 -25.297 1.00 0.00 H new ATOM 566 N ARG A 38 0.609 -9.350 -28.028 1.00 0.00 N ATOM 567 CA ARG A 38 -0.236 -9.031 -29.168 1.00 0.00 C ATOM 568 C ARG A 38 -1.533 -9.822 -29.046 1.00 0.00 C ATOM 569 O ARG A 38 -2.374 -9.843 -29.945 1.00 0.00 O ATOM 570 CB ARG A 38 0.473 -9.293 -30.504 1.00 0.00 C ATOM 571 CG ARG A 38 0.807 -10.744 -30.793 1.00 0.00 C ATOM 572 CD ARG A 38 1.509 -10.879 -32.138 1.00 0.00 C ATOM 573 NE ARG A 38 0.653 -10.455 -33.255 1.00 0.00 N ATOM 574 CZ ARG A 38 1.014 -10.465 -34.545 1.00 0.00 C ATOM 575 NH1 ARG A 38 2.223 -10.885 -34.899 1.00 0.00 N ATOM 576 NH2 ARG A 38 0.165 -10.045 -35.479 1.00 0.00 N ATOM 0 H ARG A 38 1.130 -10.223 -28.115 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.461 -7.965 -29.160 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.157 -8.916 -31.310 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.397 -8.715 -30.525 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.445 -11.139 -30.003 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -0.106 -11.339 -30.793 1.00 0.00 H new ATOM 0 HD2 ARG A 38 2.420 -10.280 -32.133 1.00 0.00 H new ATOM 0 HD3 ARG A 38 1.810 -11.916 -32.286 1.00 0.00 H new ATOM 0 HE ARG A 38 -0.287 -10.128 -33.031 1.00 0.00 H new ATOM 0 HH11 ARG A 38 2.881 -11.202 -34.187 1.00 0.00 H new ATOM 0 HH12 ARG A 38 2.493 -10.891 -35.883 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -0.763 -9.715 -35.213 1.00 0.00 H new ATOM 0 HH22 ARG A 38 0.442 -10.053 -36.461 1.00 0.00 H new ATOM 590 N ASP A 39 -1.672 -10.466 -27.897 1.00 0.00 N ATOM 591 CA ASP A 39 -2.825 -11.284 -27.561 1.00 0.00 C ATOM 592 C ASP A 39 -3.569 -10.652 -26.393 1.00 0.00 C ATOM 593 O ASP A 39 -4.755 -10.341 -26.492 1.00 0.00 O ATOM 594 CB ASP A 39 -2.359 -12.703 -27.193 1.00 0.00 C ATOM 595 CG ASP A 39 -3.468 -13.605 -26.669 1.00 0.00 C ATOM 596 OD1 ASP A 39 -4.377 -13.964 -27.444 1.00 0.00 O ATOM 597 OD2 ASP A 39 -3.419 -13.978 -25.472 1.00 0.00 O ATOM 0 H ASP A 39 -0.971 -10.433 -27.157 1.00 0.00 H new ATOM 0 HA ASP A 39 -3.496 -11.345 -28.418 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.913 -13.167 -28.073 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.576 -12.632 -26.438 1.00 0.00 H new ATOM 602 N ALA A 40 -2.856 -10.435 -25.297 1.00 0.00 N ATOM 603 CA ALA A 40 -3.429 -9.770 -24.142 1.00 0.00 C ATOM 604 C ALA A 40 -3.301 -8.258 -24.289 1.00 0.00 C ATOM 605 O ALA A 40 -4.292 -7.551 -24.509 1.00 0.00 O ATOM 606 CB ALA A 40 -2.752 -10.247 -22.859 1.00 0.00 C ATOM 0 H ALA A 40 -1.880 -10.711 -25.186 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.487 -10.024 -24.082 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.195 -9.738 -22.003 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.891 -11.323 -22.753 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.687 -10.022 -22.904 1.00 0.00 H new ATOM 612 N GLY A 41 -2.081 -7.780 -24.190 1.00 0.00 N ATOM 613 CA GLY A 41 -1.795 -6.377 -24.329 1.00 0.00 C ATOM 614 C GLY A 41 -0.342 -6.133 -24.046 1.00 0.00 C ATOM 615 O GLY A 41 0.351 -7.048 -23.607 1.00 0.00 O ATOM 0 H GLY A 41 -1.260 -8.358 -24.010 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.041 -6.043 -25.337 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.413 -5.799 -23.641 1.00 0.00 H new ATOM 619 N HIS A 42 0.128 -4.925 -24.266 1.00 0.00 N ATOM 620 CA HIS A 42 1.534 -4.608 -24.047 1.00 0.00 C ATOM 621 C HIS A 42 1.827 -4.358 -22.576 1.00 0.00 C ATOM 622 O HIS A 42 2.074 -3.228 -22.147 1.00 0.00 O ATOM 623 CB HIS A 42 2.001 -3.441 -24.929 1.00 0.00 C ATOM 624 CG HIS A 42 2.128 -3.802 -26.373 1.00 0.00 C ATOM 625 ND1 HIS A 42 1.089 -3.729 -27.268 1.00 0.00 N ATOM 626 CD2 HIS A 42 3.189 -4.263 -27.075 1.00 0.00 C ATOM 627 CE1 HIS A 42 1.502 -4.129 -28.453 1.00 0.00 C ATOM 628 NE2 HIS A 42 2.772 -4.458 -28.363 1.00 0.00 N ATOM 0 H HIS A 42 -0.437 -4.142 -24.596 1.00 0.00 H new ATOM 0 HA HIS A 42 2.112 -5.482 -24.347 1.00 0.00 H new ATOM 0 HB2 HIS A 42 1.296 -2.615 -24.829 1.00 0.00 H new ATOM 0 HB3 HIS A 42 2.964 -3.084 -24.565 1.00 0.00 H new ATOM 0 HD2 HIS A 42 4.182 -4.444 -26.690 1.00 0.00 H new ATOM 0 HE1 HIS A 42 0.899 -4.178 -29.348 1.00 0.00 H new ATOM 0 HE2 HIS A 42 3.351 -4.802 -29.129 1.00 0.00 H new ATOM 637 N LYS A 43 1.747 -5.419 -21.815 1.00 0.00 N ATOM 638 CA LYS A 43 2.030 -5.415 -20.403 1.00 0.00 C ATOM 639 C LYS A 43 2.605 -6.762 -20.011 1.00 0.00 C ATOM 640 O LYS A 43 2.332 -7.770 -20.675 1.00 0.00 O ATOM 641 CB LYS A 43 0.758 -5.113 -19.586 1.00 0.00 C ATOM 642 CG LYS A 43 -0.364 -6.140 -19.752 1.00 0.00 C ATOM 643 CD LYS A 43 -1.546 -5.853 -18.832 1.00 0.00 C ATOM 644 CE LYS A 43 -2.252 -4.543 -19.172 1.00 0.00 C ATOM 645 NZ LYS A 43 -2.847 -4.553 -20.533 1.00 0.00 N ATOM 0 H LYS A 43 1.475 -6.336 -22.171 1.00 0.00 H new ATOM 0 HA LYS A 43 2.755 -4.630 -20.186 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.025 -5.054 -18.531 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.381 -4.132 -19.875 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.703 -6.141 -20.788 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.024 -7.137 -19.543 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.260 -6.674 -18.898 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.197 -5.816 -17.800 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.036 -4.355 -18.438 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.541 -3.721 -19.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.454 -3.717 -20.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.088 -4.534 -21.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.416 -5.415 -20.657 1.00 0.00 H new ATOM 659 N CYS A 44 3.408 -6.792 -18.968 1.00 0.00 N ATOM 660 CA CYS A 44 3.923 -8.044 -18.483 1.00 0.00 C ATOM 661 C CYS A 44 2.827 -8.757 -17.695 1.00 0.00 C ATOM 662 O CYS A 44 2.223 -8.173 -16.808 1.00 0.00 O ATOM 663 CB CYS A 44 5.170 -7.822 -17.618 1.00 0.00 C ATOM 664 SG CYS A 44 4.917 -6.733 -16.184 1.00 0.00 S ATOM 0 H CYS A 44 3.713 -5.969 -18.448 1.00 0.00 H new ATOM 0 HA CYS A 44 4.222 -8.667 -19.326 1.00 0.00 H new ATOM 0 HB2 CYS A 44 5.527 -8.789 -17.264 1.00 0.00 H new ATOM 0 HB3 CYS A 44 5.958 -7.401 -18.242 1.00 0.00 H new ATOM 669 N PRO A 45 2.544 -10.021 -18.009 1.00 0.00 N ATOM 670 CA PRO A 45 1.458 -10.763 -17.358 1.00 0.00 C ATOM 671 C PRO A 45 1.696 -10.964 -15.859 1.00 0.00 C ATOM 672 O PRO A 45 0.751 -11.185 -15.094 1.00 0.00 O ATOM 673 CB PRO A 45 1.448 -12.104 -18.097 1.00 0.00 C ATOM 674 CG PRO A 45 2.821 -12.230 -18.661 1.00 0.00 C ATOM 675 CD PRO A 45 3.236 -10.832 -19.024 1.00 0.00 C ATOM 0 HA PRO A 45 0.510 -10.228 -17.414 1.00 0.00 H new ATOM 0 HB2 PRO A 45 1.220 -12.928 -17.421 1.00 0.00 H new ATOM 0 HB3 PRO A 45 0.693 -12.118 -18.883 1.00 0.00 H new ATOM 0 HG2 PRO A 45 3.506 -12.666 -17.933 1.00 0.00 H new ATOM 0 HG3 PRO A 45 2.828 -12.881 -19.535 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.318 -10.705 -18.977 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.927 -10.567 -20.035 1.00 0.00 H new ATOM 683 N VAL A 46 2.959 -10.886 -15.441 1.00 0.00 N ATOM 684 CA VAL A 46 3.317 -11.118 -14.047 1.00 0.00 C ATOM 685 C VAL A 46 2.717 -10.052 -13.116 1.00 0.00 C ATOM 686 O VAL A 46 2.066 -10.386 -12.126 1.00 0.00 O ATOM 687 CB VAL A 46 4.851 -11.164 -13.851 1.00 0.00 C ATOM 688 CG1 VAL A 46 5.211 -11.373 -12.382 1.00 0.00 C ATOM 689 CG2 VAL A 46 5.468 -12.252 -14.713 1.00 0.00 C ATOM 0 H VAL A 46 3.748 -10.664 -16.048 1.00 0.00 H new ATOM 0 HA VAL A 46 2.897 -12.089 -13.783 1.00 0.00 H new ATOM 0 HB VAL A 46 5.259 -10.203 -14.164 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.295 -11.401 -12.274 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.808 -10.552 -11.788 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.787 -12.315 -12.034 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.547 -12.268 -14.561 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.048 -13.219 -14.435 1.00 0.00 H new ATOM 0 HG23 VAL A 46 5.252 -12.051 -15.762 1.00 0.00 H new ATOM 699 N ASP A 47 2.909 -8.778 -13.446 1.00 0.00 N ATOM 700 CA ASP A 47 2.416 -7.697 -12.584 1.00 0.00 C ATOM 701 C ASP A 47 1.798 -6.530 -13.359 1.00 0.00 C ATOM 702 O ASP A 47 1.611 -5.434 -12.819 1.00 0.00 O ATOM 703 CB ASP A 47 3.458 -7.246 -11.530 1.00 0.00 C ATOM 704 CG ASP A 47 4.776 -6.721 -12.080 1.00 0.00 C ATOM 705 OD1 ASP A 47 5.060 -6.874 -13.295 1.00 0.00 O ATOM 706 OD2 ASP A 47 5.573 -6.183 -11.277 1.00 0.00 O ATOM 0 H ASP A 47 3.393 -8.467 -14.288 1.00 0.00 H new ATOM 0 HA ASP A 47 1.590 -8.130 -12.020 1.00 0.00 H new ATOM 0 HB2 ASP A 47 3.008 -6.468 -10.913 1.00 0.00 H new ATOM 0 HB3 ASP A 47 3.671 -8.090 -10.874 1.00 0.00 H new ATOM 711 N ASN A 48 1.467 -6.791 -14.620 1.00 0.00 N ATOM 712 CA ASN A 48 0.674 -5.883 -15.481 1.00 0.00 C ATOM 713 C ASN A 48 1.342 -4.531 -15.725 1.00 0.00 C ATOM 714 O ASN A 48 0.662 -3.512 -15.894 1.00 0.00 O ATOM 715 CB ASN A 48 -0.725 -5.658 -14.890 1.00 0.00 C ATOM 716 CG ASN A 48 -1.584 -6.906 -14.877 1.00 0.00 C ATOM 717 OD1 ASN A 48 -1.435 -7.793 -15.719 1.00 0.00 O ATOM 718 ND2 ASN A 48 -2.497 -6.976 -13.934 1.00 0.00 N ATOM 0 H ASN A 48 1.742 -7.652 -15.092 1.00 0.00 H new ATOM 0 HA ASN A 48 0.601 -6.384 -16.446 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.624 -5.285 -13.871 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -1.233 -4.883 -15.464 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.114 -7.786 -13.881 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.588 -6.220 -13.255 1.00 0.00 H new ATOM 725 N GLU A 49 2.649 -4.529 -15.800 1.00 0.00 N ATOM 726 CA GLU A 49 3.403 -3.309 -16.057 1.00 0.00 C ATOM 727 C GLU A 49 3.576 -3.104 -17.557 1.00 0.00 C ATOM 728 O GLU A 49 3.577 -4.069 -18.313 1.00 0.00 O ATOM 729 CB GLU A 49 4.755 -3.389 -15.370 1.00 0.00 C ATOM 730 CG GLU A 49 4.669 -3.372 -13.857 1.00 0.00 C ATOM 731 CD GLU A 49 6.012 -3.571 -13.221 1.00 0.00 C ATOM 732 OE1 GLU A 49 6.655 -4.600 -13.520 1.00 0.00 O ATOM 733 OE2 GLU A 49 6.442 -2.711 -12.413 1.00 0.00 O ATOM 0 H GLU A 49 3.226 -5.363 -15.687 1.00 0.00 H new ATOM 0 HA GLU A 49 2.854 -2.457 -15.656 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.261 -4.301 -15.687 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.371 -2.552 -15.700 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.248 -2.422 -13.527 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.989 -4.155 -13.523 1.00 0.00 H new ATOM 740 N ILE A 50 3.725 -1.855 -17.983 1.00 0.00 N ATOM 741 CA ILE A 50 3.807 -1.531 -19.411 1.00 0.00 C ATOM 742 C ILE A 50 5.065 -2.121 -20.042 1.00 0.00 C ATOM 743 O ILE A 50 6.194 -1.841 -19.619 1.00 0.00 O ATOM 744 CB ILE A 50 3.761 0.003 -19.660 1.00 0.00 C ATOM 745 CG1 ILE A 50 2.429 0.590 -19.175 1.00 0.00 C ATOM 746 CG2 ILE A 50 4.003 0.345 -21.130 1.00 0.00 C ATOM 747 CD1 ILE A 50 1.207 0.029 -19.881 1.00 0.00 C ATOM 0 H ILE A 50 3.792 -1.047 -17.364 1.00 0.00 H new ATOM 0 HA ILE A 50 2.933 -1.979 -19.884 1.00 0.00 H new ATOM 0 HB ILE A 50 4.569 0.454 -19.084 1.00 0.00 H new ATOM 0 HG12 ILE A 50 2.332 0.407 -18.105 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.450 1.671 -19.313 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.963 1.426 -21.263 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.984 -0.022 -21.432 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.235 -0.125 -21.744 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.308 0.496 -19.479 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.277 0.236 -20.949 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.158 -1.048 -19.722 1.00 0.00 H new ATOM 759 N LEU A 51 4.851 -2.939 -21.048 1.00 0.00 N ATOM 760 CA LEU A 51 5.910 -3.647 -21.719 1.00 0.00 C ATOM 761 C LEU A 51 5.914 -3.259 -23.196 1.00 0.00 C ATOM 762 O LEU A 51 4.895 -3.360 -23.872 1.00 0.00 O ATOM 763 CB LEU A 51 5.666 -5.157 -21.552 1.00 0.00 C ATOM 764 CG LEU A 51 6.788 -6.134 -21.940 1.00 0.00 C ATOM 765 CD1 LEU A 51 6.466 -7.502 -21.384 1.00 0.00 C ATOM 766 CD2 LEU A 51 6.967 -6.234 -23.449 1.00 0.00 C ATOM 0 H LEU A 51 3.923 -3.132 -21.426 1.00 0.00 H new ATOM 0 HA LEU A 51 6.880 -3.391 -21.292 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.417 -5.338 -20.506 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.785 -5.416 -22.139 1.00 0.00 H new ATOM 0 HG LEU A 51 7.720 -5.755 -21.521 1.00 0.00 H new ATOM 0 HD11 LEU A 51 7.258 -8.201 -21.655 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.389 -7.445 -20.298 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.519 -7.849 -21.797 1.00 0.00 H new ATOM 0 HD21 LEU A 51 7.770 -6.935 -23.674 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.040 -6.585 -23.903 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.219 -5.253 -23.851 1.00 0.00 H new ATOM 778 N LEU A 52 7.056 -2.819 -23.687 1.00 0.00 N ATOM 779 CA LEU A 52 7.191 -2.457 -25.088 1.00 0.00 C ATOM 780 C LEU A 52 8.078 -3.455 -25.810 1.00 0.00 C ATOM 781 O LEU A 52 9.095 -3.894 -25.269 1.00 0.00 O ATOM 782 CB LEU A 52 7.735 -1.037 -25.233 1.00 0.00 C ATOM 783 CG LEU A 52 6.871 0.076 -24.640 1.00 0.00 C ATOM 784 CD1 LEU A 52 7.552 1.421 -24.802 1.00 0.00 C ATOM 785 CD2 LEU A 52 5.493 0.098 -25.294 1.00 0.00 C ATOM 0 H LEU A 52 7.907 -2.703 -23.137 1.00 0.00 H new ATOM 0 HA LEU A 52 6.203 -2.484 -25.547 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.718 -0.996 -24.763 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.880 -0.831 -26.294 1.00 0.00 H new ATOM 0 HG LEU A 52 6.743 -0.124 -23.576 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.923 2.201 -24.374 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.513 1.407 -24.287 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.711 1.623 -25.861 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.895 0.898 -24.857 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.601 0.270 -26.365 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.996 -0.858 -25.129 1.00 0.00 H new ATOM 797 N GLU A 53 7.690 -3.802 -27.031 1.00 0.00 N ATOM 798 CA GLU A 53 8.356 -4.844 -27.814 1.00 0.00 C ATOM 799 C GLU A 53 9.783 -4.444 -28.174 1.00 0.00 C ATOM 800 O GLU A 53 10.709 -5.244 -28.071 1.00 0.00 O ATOM 801 CB GLU A 53 7.563 -5.111 -29.099 1.00 0.00 C ATOM 802 CG GLU A 53 6.181 -5.692 -28.860 1.00 0.00 C ATOM 803 CD GLU A 53 5.391 -5.891 -30.133 1.00 0.00 C ATOM 804 OE1 GLU A 53 5.998 -5.968 -31.218 1.00 0.00 O ATOM 805 OE2 GLU A 53 4.144 -5.936 -30.066 1.00 0.00 O ATOM 0 H GLU A 53 6.901 -3.369 -27.511 1.00 0.00 H new ATOM 0 HA GLU A 53 8.397 -5.747 -27.205 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.463 -4.178 -29.653 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.130 -5.796 -29.729 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.280 -6.649 -28.348 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.626 -5.031 -28.195 1.00 0.00 H new ATOM 812 N ASN A 54 9.956 -3.196 -28.572 1.00 0.00 N ATOM 813 CA ASN A 54 11.267 -2.699 -28.999 1.00 0.00 C ATOM 814 C ASN A 54 12.244 -2.593 -27.849 1.00 0.00 C ATOM 815 O ASN A 54 13.447 -2.608 -28.051 1.00 0.00 O ATOM 816 CB ASN A 54 11.173 -1.373 -29.747 1.00 0.00 C ATOM 817 CG ASN A 54 10.689 -1.539 -31.173 1.00 0.00 C ATOM 818 OD1 ASN A 54 9.926 -2.454 -31.490 1.00 0.00 O ATOM 819 ND2 ASN A 54 11.135 -0.670 -32.044 1.00 0.00 N ATOM 0 H ASN A 54 9.209 -2.502 -28.611 1.00 0.00 H new ATOM 0 HA ASN A 54 11.652 -3.444 -29.695 1.00 0.00 H new ATOM 0 HB2 ASN A 54 10.496 -0.707 -29.213 1.00 0.00 H new ATOM 0 HB3 ASN A 54 12.152 -0.894 -29.753 1.00 0.00 H new ATOM 0 HD21 ASN A 54 10.852 -0.737 -33.022 1.00 0.00 H new ATOM 0 HD22 ASN A 54 11.765 0.074 -31.745 1.00 0.00 H new ATOM 826 N GLN A 55 11.718 -2.477 -26.641 1.00 0.00 N ATOM 827 CA GLN A 55 12.555 -2.346 -25.453 1.00 0.00 C ATOM 828 C GLN A 55 13.195 -3.677 -25.071 1.00 0.00 C ATOM 829 O GLN A 55 14.129 -3.722 -24.261 1.00 0.00 O ATOM 830 CB GLN A 55 11.764 -1.773 -24.275 1.00 0.00 C ATOM 831 CG GLN A 55 11.249 -0.350 -24.486 1.00 0.00 C ATOM 832 CD GLN A 55 12.356 0.682 -24.666 1.00 0.00 C ATOM 833 OE1 GLN A 55 13.448 0.381 -25.153 1.00 0.00 O ATOM 834 NE2 GLN A 55 12.087 1.895 -24.266 1.00 0.00 N ATOM 0 H GLN A 55 10.715 -2.471 -26.454 1.00 0.00 H new ATOM 0 HA GLN A 55 13.354 -1.646 -25.698 1.00 0.00 H new ATOM 0 HB2 GLN A 55 10.915 -2.426 -24.072 1.00 0.00 H new ATOM 0 HB3 GLN A 55 12.397 -1.788 -23.388 1.00 0.00 H new ATOM 0 HG2 GLN A 55 10.603 -0.333 -25.364 1.00 0.00 H new ATOM 0 HG3 GLN A 55 10.634 -0.065 -23.632 1.00 0.00 H new ATOM 0 HE21 GLN A 55 11.173 2.110 -23.868 1.00 0.00 H new ATOM 0 HE22 GLN A 55 12.791 2.628 -24.352 1.00 0.00 H new ATOM 843 N LEU A 56 12.683 -4.751 -25.638 1.00 0.00 N ATOM 844 CA LEU A 56 13.210 -6.076 -25.389 1.00 0.00 C ATOM 845 C LEU A 56 14.532 -6.242 -26.119 1.00 0.00 C ATOM 846 O LEU A 56 14.725 -5.691 -27.205 1.00 0.00 O ATOM 847 CB LEU A 56 12.213 -7.137 -25.857 1.00 0.00 C ATOM 848 CG LEU A 56 10.840 -7.113 -25.183 1.00 0.00 C ATOM 849 CD1 LEU A 56 9.934 -8.167 -25.791 1.00 0.00 C ATOM 850 CD2 LEU A 56 10.968 -7.322 -23.681 1.00 0.00 C ATOM 0 H LEU A 56 11.892 -4.729 -26.282 1.00 0.00 H new ATOM 0 HA LEU A 56 13.373 -6.201 -24.319 1.00 0.00 H new ATOM 0 HB2 LEU A 56 12.070 -7.023 -26.932 1.00 0.00 H new ATOM 0 HB3 LEU A 56 12.657 -8.120 -25.697 1.00 0.00 H new ATOM 0 HG LEU A 56 10.395 -6.132 -25.351 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.961 -8.137 -25.301 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.810 -7.970 -26.856 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.379 -9.152 -25.654 1.00 0.00 H new ATOM 0 HD21 LEU A 56 9.978 -7.301 -23.225 1.00 0.00 H new ATOM 0 HD22 LEU A 56 11.436 -8.287 -23.487 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.581 -6.528 -23.254 1.00 0.00 H new ATOM 862 N PHE A 57 15.438 -6.983 -25.523 1.00 0.00 N ATOM 863 CA PHE A 57 16.749 -7.192 -26.103 1.00 0.00 C ATOM 864 C PHE A 57 16.689 -8.317 -27.126 1.00 0.00 C ATOM 865 O PHE A 57 16.197 -9.389 -26.822 1.00 0.00 O ATOM 866 CB PHE A 57 17.757 -7.532 -25.011 1.00 0.00 C ATOM 867 CG PHE A 57 17.878 -6.472 -23.953 1.00 0.00 C ATOM 868 CD1 PHE A 57 18.648 -5.341 -24.169 1.00 0.00 C ATOM 869 CD2 PHE A 57 17.218 -6.606 -22.742 1.00 0.00 C ATOM 870 CE1 PHE A 57 18.760 -4.366 -23.201 1.00 0.00 C ATOM 871 CE2 PHE A 57 17.325 -5.634 -21.769 1.00 0.00 C ATOM 872 CZ PHE A 57 18.098 -4.512 -21.997 1.00 0.00 C ATOM 0 H PHE A 57 15.291 -7.455 -24.631 1.00 0.00 H new ATOM 0 HA PHE A 57 17.066 -6.276 -26.601 1.00 0.00 H new ATOM 0 HB2 PHE A 57 17.467 -8.472 -24.541 1.00 0.00 H new ATOM 0 HB3 PHE A 57 18.734 -7.692 -25.467 1.00 0.00 H new ATOM 0 HD1 PHE A 57 19.167 -5.221 -25.108 1.00 0.00 H new ATOM 0 HD2 PHE A 57 16.613 -7.481 -22.558 1.00 0.00 H new ATOM 0 HE1 PHE A 57 19.364 -3.490 -23.383 1.00 0.00 H new ATOM 0 HE2 PHE A 57 16.805 -5.750 -20.830 1.00 0.00 H new ATOM 0 HZ PHE A 57 18.185 -3.751 -21.236 1.00 0.00 H new ATOM 882 N PRO A 58 17.165 -8.080 -28.360 1.00 0.00 N ATOM 883 CA PRO A 58 17.129 -9.093 -29.433 1.00 0.00 C ATOM 884 C PRO A 58 17.815 -10.406 -29.035 1.00 0.00 C ATOM 885 O PRO A 58 17.296 -11.499 -29.332 1.00 0.00 O ATOM 886 CB PRO A 58 17.910 -8.421 -30.570 1.00 0.00 C ATOM 887 CG PRO A 58 17.736 -6.967 -30.319 1.00 0.00 C ATOM 888 CD PRO A 58 17.765 -6.812 -28.827 1.00 0.00 C ATOM 0 HA PRO A 58 16.107 -9.373 -29.689 1.00 0.00 H new ATOM 0 HB2 PRO A 58 18.962 -8.705 -30.553 1.00 0.00 H new ATOM 0 HB3 PRO A 58 17.518 -8.707 -31.546 1.00 0.00 H new ATOM 0 HG2 PRO A 58 18.532 -6.390 -30.789 1.00 0.00 H new ATOM 0 HG3 PRO A 58 16.794 -6.607 -30.733 1.00 0.00 H new ATOM 0 HD2 PRO A 58 18.780 -6.682 -28.453 1.00 0.00 H new ATOM 0 HD3 PRO A 58 17.190 -5.946 -28.498 1.00 0.00 H new ATOM 896 N ASP A 59 18.960 -10.273 -28.336 1.00 0.00 N ATOM 897 CA ASP A 59 19.853 -11.389 -27.931 1.00 0.00 C ATOM 898 C ASP A 59 20.448 -12.090 -29.140 1.00 0.00 C ATOM 899 O ASP A 59 21.649 -12.011 -29.390 1.00 0.00 O ATOM 900 CB ASP A 59 19.178 -12.403 -27.000 1.00 0.00 C ATOM 901 CG ASP A 59 20.158 -13.464 -26.519 1.00 0.00 C ATOM 902 OD1 ASP A 59 20.948 -13.181 -25.585 1.00 0.00 O ATOM 903 OD2 ASP A 59 20.151 -14.590 -27.060 1.00 0.00 O ATOM 0 H ASP A 59 19.303 -9.363 -28.027 1.00 0.00 H new ATOM 0 HA ASP A 59 20.658 -10.928 -27.359 1.00 0.00 H new ATOM 0 HB2 ASP A 59 18.754 -11.883 -26.141 1.00 0.00 H new ATOM 0 HB3 ASP A 59 18.350 -12.882 -27.523 1.00 0.00 H new ATOM 908 N ASN A 60 19.604 -12.757 -29.890 1.00 0.00 N ATOM 909 CA ASN A 60 20.010 -13.368 -31.126 1.00 0.00 C ATOM 910 C ASN A 60 19.875 -12.365 -32.260 1.00 0.00 C ATOM 911 O ASN A 60 18.779 -12.041 -32.710 1.00 0.00 O ATOM 912 CB ASN A 60 19.241 -14.681 -31.403 1.00 0.00 C ATOM 913 CG ASN A 60 17.725 -14.559 -31.292 1.00 0.00 C ATOM 914 OD1 ASN A 60 17.034 -14.203 -32.248 1.00 0.00 O ATOM 915 ND2 ASN A 60 17.196 -14.872 -30.125 1.00 0.00 N ATOM 0 H ASN A 60 18.619 -12.890 -29.659 1.00 0.00 H new ATOM 0 HA ASN A 60 21.059 -13.653 -31.047 1.00 0.00 H new ATOM 0 HB2 ASN A 60 19.493 -15.031 -32.404 1.00 0.00 H new ATOM 0 HB3 ASN A 60 19.584 -15.443 -30.703 1.00 0.00 H new ATOM 0 HD21 ASN A 60 16.186 -14.823 -29.993 1.00 0.00 H new ATOM 0 HD22 ASN A 60 17.797 -15.163 -29.354 1.00 0.00 H new ATOM 922 N PHE A 61 21.002 -11.859 -32.689 1.00 0.00 N ATOM 923 CA PHE A 61 21.067 -10.834 -33.700 1.00 0.00 C ATOM 924 C PHE A 61 21.358 -11.511 -35.030 1.00 0.00 C ATOM 925 O PHE A 61 22.268 -12.335 -35.120 1.00 0.00 O ATOM 926 CB PHE A 61 22.187 -9.848 -33.325 1.00 0.00 C ATOM 927 CG PHE A 61 22.291 -8.632 -34.196 1.00 0.00 C ATOM 928 CD1 PHE A 61 21.430 -7.559 -34.009 1.00 0.00 C ATOM 929 CD2 PHE A 61 23.250 -8.548 -35.188 1.00 0.00 C ATOM 930 CE1 PHE A 61 21.524 -6.430 -34.799 1.00 0.00 C ATOM 931 CE2 PHE A 61 23.352 -7.421 -35.977 1.00 0.00 C ATOM 932 CZ PHE A 61 22.487 -6.362 -35.785 1.00 0.00 C ATOM 0 H PHE A 61 21.915 -12.152 -32.341 1.00 0.00 H new ATOM 0 HA PHE A 61 20.130 -10.282 -33.776 1.00 0.00 H new ATOM 0 HB2 PHE A 61 22.034 -9.525 -32.295 1.00 0.00 H new ATOM 0 HB3 PHE A 61 23.139 -10.378 -33.354 1.00 0.00 H new ATOM 0 HD1 PHE A 61 20.677 -7.608 -33.236 1.00 0.00 H new ATOM 0 HD2 PHE A 61 23.927 -9.374 -35.347 1.00 0.00 H new ATOM 0 HE1 PHE A 61 20.846 -5.603 -34.646 1.00 0.00 H new ATOM 0 HE2 PHE A 61 24.109 -7.367 -36.745 1.00 0.00 H new ATOM 0 HZ PHE A 61 22.564 -5.482 -36.406 1.00 0.00 H new ATOM 942 N ALA A 62 20.577 -11.198 -36.042 1.00 0.00 N ATOM 943 CA ALA A 62 20.687 -11.882 -37.324 1.00 0.00 C ATOM 944 C ALA A 62 22.033 -11.634 -37.986 1.00 0.00 C ATOM 945 O ALA A 62 22.580 -10.532 -37.930 1.00 0.00 O ATOM 946 CB ALA A 62 19.552 -11.491 -38.249 1.00 0.00 C ATOM 0 H ALA A 62 19.858 -10.476 -36.007 1.00 0.00 H new ATOM 0 HA ALA A 62 20.614 -12.951 -37.125 1.00 0.00 H new ATOM 0 HB1 ALA A 62 19.659 -12.016 -39.198 1.00 0.00 H new ATOM 0 HB2 ALA A 62 18.600 -11.760 -37.791 1.00 0.00 H new ATOM 0 HB3 ALA A 62 19.579 -10.416 -38.424 1.00 0.00 H new ATOM 952 N LYS A 63 22.561 -12.673 -38.598 1.00 0.00 N ATOM 953 CA LYS A 63 23.833 -12.607 -39.273 1.00 0.00 C ATOM 954 C LYS A 63 23.738 -13.290 -40.626 1.00 0.00 C ATOM 955 O LYS A 63 23.829 -12.599 -41.647 1.00 0.00 O ATOM 956 CB LYS A 63 24.989 -13.200 -38.422 1.00 0.00 C ATOM 957 CG LYS A 63 24.795 -14.644 -37.940 1.00 0.00 C ATOM 958 CD LYS A 63 24.020 -14.750 -36.625 1.00 0.00 C ATOM 959 CE LYS A 63 24.861 -14.333 -35.413 1.00 0.00 C ATOM 960 NZ LYS A 63 24.918 -12.861 -35.213 1.00 0.00 N ATOM 961 OXT LYS A 63 23.521 -14.519 -40.668 1.00 0.00 O ATOM 0 H LYS A 63 22.115 -13.590 -38.639 1.00 0.00 H new ATOM 0 HA LYS A 63 24.074 -11.555 -39.423 1.00 0.00 H new ATOM 0 HB2 LYS A 63 25.907 -13.154 -39.008 1.00 0.00 H new ATOM 0 HB3 LYS A 63 25.136 -12.563 -37.550 1.00 0.00 H new ATOM 0 HG2 LYS A 63 24.268 -15.208 -38.710 1.00 0.00 H new ATOM 0 HG3 LYS A 63 25.772 -15.111 -37.815 1.00 0.00 H new ATOM 0 HD2 LYS A 63 23.131 -14.122 -36.679 1.00 0.00 H new ATOM 0 HD3 LYS A 63 23.678 -15.776 -36.490 1.00 0.00 H new ATOM 0 HE2 LYS A 63 24.450 -14.798 -34.517 1.00 0.00 H new ATOM 0 HE3 LYS A 63 25.874 -14.715 -35.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 25.111 -12.654 -34.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 25.676 -12.460 -35.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 24.008 -12.438 -35.485 1.00 0.00 H new TER 975 LYS A 63 HETATM 976 ZN ZN A 65 9.310 -18.767 -22.798 1.00 0.00 ZN HETATM 977 ZN ZN A 66 6.349 -6.178 -14.532 1.00 0.00 ZN