USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=9 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 96:sc= 0.269 USER MOD Set 1.2: A 26 HIS : no HE2:sc= -1.79 K(o=-1.5,f=-4.2!) USER MOD Set 2.1: A 1 GLY N :NH3+ -168:sc= 2.16 (180deg=1.85) USER MOD Set 2.2: A 5 SER OG : rot -74:sc= 1.19 USER MOD Single : A 6 LYS NZ :NH3+ -173:sc= 0.111 (180deg=0.0633) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl -165:sc= -1.34 (180deg=-1.99!) USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 164:sc= -0.119 (180deg=-0.488) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= 1.19 K(o=1.2,f=-4.3!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc=-0.00337 K(o=-0.0034,f=-1.1) USER MOD Single : A 54 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 55 GLN : amide:sc= -1.27 K(o=-1.3,f=-6!) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.930 -21.667 -11.395 1.00 0.00 N ATOM 2 CA GLY A 1 9.907 -22.732 -11.126 1.00 0.00 C ATOM 3 C GLY A 1 9.886 -23.136 -9.677 1.00 0.00 C ATOM 4 O GLY A 1 9.020 -22.680 -8.933 1.00 0.00 O ATOM 0 H1 GLY A 1 8.819 -21.549 -12.422 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.014 -21.922 -10.975 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.265 -20.775 -10.979 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.687 -23.598 -11.751 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.906 -22.390 -11.396 1.00 0.00 H new ATOM 10 N PRO A 2 10.827 -23.995 -9.233 1.00 0.00 N ATOM 11 CA PRO A 2 10.897 -24.441 -7.836 1.00 0.00 C ATOM 12 C PRO A 2 11.145 -23.280 -6.873 1.00 0.00 C ATOM 13 O PRO A 2 10.705 -23.309 -5.718 1.00 0.00 O ATOM 14 CB PRO A 2 12.077 -25.423 -7.829 1.00 0.00 C ATOM 15 CG PRO A 2 12.881 -25.059 -9.029 1.00 0.00 C ATOM 16 CD PRO A 2 11.887 -24.601 -10.054 1.00 0.00 C ATOM 0 HA PRO A 2 9.962 -24.889 -7.500 1.00 0.00 H new ATOM 0 HB2 PRO A 2 12.665 -25.329 -6.916 1.00 0.00 H new ATOM 0 HB3 PRO A 2 11.733 -26.456 -7.882 1.00 0.00 H new ATOM 0 HG2 PRO A 2 13.597 -24.271 -8.797 1.00 0.00 H new ATOM 0 HG3 PRO A 2 13.453 -25.913 -9.392 1.00 0.00 H new ATOM 0 HD2 PRO A 2 12.323 -23.881 -10.747 1.00 0.00 H new ATOM 0 HD3 PRO A 2 11.511 -25.431 -10.652 1.00 0.00 H new ATOM 24 N LEU A 3 11.851 -22.266 -7.346 1.00 0.00 N ATOM 25 CA LEU A 3 12.033 -21.055 -6.592 1.00 0.00 C ATOM 26 C LEU A 3 11.792 -19.847 -7.483 1.00 0.00 C ATOM 27 O LEU A 3 12.703 -19.372 -8.169 1.00 0.00 O ATOM 28 CB LEU A 3 13.434 -21.001 -5.982 1.00 0.00 C ATOM 29 CG LEU A 3 13.727 -19.804 -5.078 1.00 0.00 C ATOM 30 CD1 LEU A 3 12.781 -19.781 -3.884 1.00 0.00 C ATOM 31 CD2 LEU A 3 15.170 -19.839 -4.617 1.00 0.00 C ATOM 0 H LEU A 3 12.308 -22.267 -8.258 1.00 0.00 H new ATOM 0 HA LEU A 3 11.310 -21.041 -5.777 1.00 0.00 H new ATOM 0 HB2 LEU A 3 13.593 -21.913 -5.406 1.00 0.00 H new ATOM 0 HB3 LEU A 3 14.162 -21.005 -6.793 1.00 0.00 H new ATOM 0 HG LEU A 3 13.566 -18.891 -5.651 1.00 0.00 H new ATOM 0 HD11 LEU A 3 13.009 -18.920 -3.256 1.00 0.00 H new ATOM 0 HD12 LEU A 3 11.752 -19.710 -4.236 1.00 0.00 H new ATOM 0 HD13 LEU A 3 12.904 -20.696 -3.305 1.00 0.00 H new ATOM 0 HD21 LEU A 3 15.367 -18.982 -3.974 1.00 0.00 H new ATOM 0 HD22 LEU A 3 15.352 -20.759 -4.062 1.00 0.00 H new ATOM 0 HD23 LEU A 3 15.830 -19.802 -5.484 1.00 0.00 H new ATOM 43 N GLY A 4 10.558 -19.376 -7.493 1.00 0.00 N ATOM 44 CA GLY A 4 10.198 -18.225 -8.291 1.00 0.00 C ATOM 45 C GLY A 4 10.335 -18.485 -9.781 1.00 0.00 C ATOM 46 O GLY A 4 10.402 -19.639 -10.225 1.00 0.00 O ATOM 0 H GLY A 4 9.789 -19.776 -6.955 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.170 -17.940 -8.068 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.830 -17.382 -8.013 1.00 0.00 H new ATOM 50 N SER A 5 10.359 -17.428 -10.542 1.00 0.00 N ATOM 51 CA SER A 5 10.635 -17.500 -11.951 1.00 0.00 C ATOM 52 C SER A 5 11.697 -16.480 -12.316 1.00 0.00 C ATOM 53 O SER A 5 11.393 -15.391 -12.790 1.00 0.00 O ATOM 54 CB SER A 5 9.364 -17.280 -12.780 1.00 0.00 C ATOM 55 OG SER A 5 8.425 -18.319 -12.554 1.00 0.00 O ATOM 0 H SER A 5 10.186 -16.483 -10.200 1.00 0.00 H new ATOM 0 HA SER A 5 11.005 -18.499 -12.180 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.918 -16.319 -12.522 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.619 -17.239 -13.839 1.00 0.00 H new ATOM 0 HG SER A 5 8.722 -19.133 -13.011 1.00 0.00 H new ATOM 61 N LYS A 6 12.933 -16.824 -12.032 1.00 0.00 N ATOM 62 CA LYS A 6 14.064 -16.000 -12.388 1.00 0.00 C ATOM 63 C LYS A 6 14.871 -16.760 -13.419 1.00 0.00 C ATOM 64 O LYS A 6 15.165 -17.942 -13.222 1.00 0.00 O ATOM 65 CB LYS A 6 14.895 -15.678 -11.142 1.00 0.00 C ATOM 66 CG LYS A 6 16.058 -14.727 -11.373 1.00 0.00 C ATOM 67 CD LYS A 6 16.759 -14.392 -10.065 1.00 0.00 C ATOM 68 CE LYS A 6 17.905 -13.413 -10.271 1.00 0.00 C ATOM 69 NZ LYS A 6 19.005 -13.993 -11.079 1.00 0.00 N ATOM 0 H LYS A 6 13.182 -17.686 -11.546 1.00 0.00 H new ATOM 0 HA LYS A 6 13.741 -15.047 -12.807 1.00 0.00 H new ATOM 0 HB2 LYS A 6 14.238 -15.247 -10.387 1.00 0.00 H new ATOM 0 HB3 LYS A 6 15.284 -16.610 -10.732 1.00 0.00 H new ATOM 0 HG2 LYS A 6 16.769 -15.178 -12.065 1.00 0.00 H new ATOM 0 HG3 LYS A 6 15.696 -13.811 -11.840 1.00 0.00 H new ATOM 0 HD2 LYS A 6 16.039 -13.967 -9.366 1.00 0.00 H new ATOM 0 HD3 LYS A 6 17.140 -15.307 -9.612 1.00 0.00 H new ATOM 0 HE2 LYS A 6 17.529 -12.516 -10.764 1.00 0.00 H new ATOM 0 HE3 LYS A 6 18.294 -13.104 -9.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 19.810 -13.335 -11.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 19.304 -14.897 -10.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 18.674 -14.154 -12.051 1.00 0.00 H new ATOM 83 N TYR A 7 15.197 -16.097 -14.528 1.00 0.00 N ATOM 84 CA TYR A 7 15.769 -16.762 -15.703 1.00 0.00 C ATOM 85 C TYR A 7 14.811 -17.805 -16.262 1.00 0.00 C ATOM 86 O TYR A 7 15.210 -18.700 -17.002 1.00 0.00 O ATOM 87 CB TYR A 7 17.141 -17.388 -15.423 1.00 0.00 C ATOM 88 CG TYR A 7 18.256 -16.393 -15.272 1.00 0.00 C ATOM 89 CD1 TYR A 7 18.656 -15.611 -16.345 1.00 0.00 C ATOM 90 CD2 TYR A 7 18.925 -16.247 -14.070 1.00 0.00 C ATOM 91 CE1 TYR A 7 19.687 -14.705 -16.226 1.00 0.00 C ATOM 92 CE2 TYR A 7 19.960 -15.340 -13.940 1.00 0.00 C ATOM 93 CZ TYR A 7 20.334 -14.571 -15.025 1.00 0.00 C ATOM 94 OH TYR A 7 21.364 -13.666 -14.900 1.00 0.00 O ATOM 0 H TYR A 7 15.074 -15.091 -14.639 1.00 0.00 H new ATOM 0 HA TYR A 7 15.921 -15.985 -16.452 1.00 0.00 H new ATOM 0 HB2 TYR A 7 17.076 -17.984 -14.513 1.00 0.00 H new ATOM 0 HB3 TYR A 7 17.388 -18.072 -16.235 1.00 0.00 H new ATOM 0 HD1 TYR A 7 18.149 -15.714 -17.293 1.00 0.00 H new ATOM 0 HD2 TYR A 7 18.635 -16.850 -13.222 1.00 0.00 H new ATOM 0 HE1 TYR A 7 19.983 -14.104 -17.073 1.00 0.00 H new ATOM 0 HE2 TYR A 7 20.473 -15.233 -12.996 1.00 0.00 H new ATOM 0 HH TYR A 7 21.715 -13.694 -13.985 1.00 0.00 H new ATOM 104 N GLU A 8 13.557 -17.658 -15.922 1.00 0.00 N ATOM 105 CA GLU A 8 12.523 -18.548 -16.361 1.00 0.00 C ATOM 106 C GLU A 8 11.445 -17.736 -17.042 1.00 0.00 C ATOM 107 O GLU A 8 11.140 -16.630 -16.605 1.00 0.00 O ATOM 108 CB GLU A 8 11.933 -19.281 -15.158 1.00 0.00 C ATOM 109 CG GLU A 8 10.879 -20.311 -15.515 1.00 0.00 C ATOM 110 CD GLU A 8 10.313 -20.999 -14.306 1.00 0.00 C ATOM 111 OE1 GLU A 8 9.369 -20.466 -13.696 1.00 0.00 O ATOM 112 OE2 GLU A 8 10.801 -22.086 -13.957 1.00 0.00 O ATOM 0 H GLU A 8 13.224 -16.903 -15.322 1.00 0.00 H new ATOM 0 HA GLU A 8 12.932 -19.281 -17.057 1.00 0.00 H new ATOM 0 HB2 GLU A 8 12.739 -19.775 -14.616 1.00 0.00 H new ATOM 0 HB3 GLU A 8 11.495 -18.549 -14.479 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.072 -19.825 -16.063 1.00 0.00 H new ATOM 0 HG3 GLU A 8 11.314 -21.055 -16.182 1.00 0.00 H new ATOM 119 N CYS A 9 10.899 -18.260 -18.107 1.00 0.00 N ATOM 120 CA CYS A 9 9.797 -17.625 -18.782 1.00 0.00 C ATOM 121 C CYS A 9 8.517 -18.110 -18.117 1.00 0.00 C ATOM 122 O CYS A 9 8.157 -19.269 -18.270 1.00 0.00 O ATOM 123 CB CYS A 9 9.811 -18.033 -20.266 1.00 0.00 C ATOM 124 SG CYS A 9 8.513 -17.289 -21.319 1.00 0.00 S ATOM 0 H CYS A 9 11.204 -19.136 -18.531 1.00 0.00 H new ATOM 0 HA CYS A 9 9.868 -16.539 -18.720 1.00 0.00 H new ATOM 0 HB2 CYS A 9 10.783 -17.772 -20.684 1.00 0.00 H new ATOM 0 HB3 CYS A 9 9.720 -19.118 -20.324 1.00 0.00 H new ATOM 129 N PRO A 10 7.819 -17.244 -17.350 1.00 0.00 N ATOM 130 CA PRO A 10 6.599 -17.636 -16.625 1.00 0.00 C ATOM 131 C PRO A 10 5.499 -18.095 -17.579 1.00 0.00 C ATOM 132 O PRO A 10 4.574 -18.802 -17.189 1.00 0.00 O ATOM 133 CB PRO A 10 6.174 -16.341 -15.917 1.00 0.00 C ATOM 134 CG PRO A 10 7.421 -15.530 -15.850 1.00 0.00 C ATOM 135 CD PRO A 10 8.170 -15.840 -17.110 1.00 0.00 C ATOM 0 HA PRO A 10 6.773 -18.471 -15.947 1.00 0.00 H new ATOM 0 HB2 PRO A 10 5.392 -15.823 -16.472 1.00 0.00 H new ATOM 0 HB3 PRO A 10 5.778 -16.544 -14.922 1.00 0.00 H new ATOM 0 HG2 PRO A 10 7.194 -14.466 -15.781 1.00 0.00 H new ATOM 0 HG3 PRO A 10 8.010 -15.788 -14.970 1.00 0.00 H new ATOM 0 HD2 PRO A 10 7.861 -15.198 -17.935 1.00 0.00 H new ATOM 0 HD3 PRO A 10 9.245 -15.706 -16.987 1.00 0.00 H new ATOM 143 N ILE A 11 5.617 -17.689 -18.830 1.00 0.00 N ATOM 144 CA ILE A 11 4.705 -18.122 -19.876 1.00 0.00 C ATOM 145 C ILE A 11 4.870 -19.634 -20.128 1.00 0.00 C ATOM 146 O ILE A 11 3.891 -20.372 -20.278 1.00 0.00 O ATOM 147 CB ILE A 11 4.955 -17.308 -21.172 1.00 0.00 C ATOM 148 CG1 ILE A 11 4.573 -15.842 -20.924 1.00 0.00 C ATOM 149 CG2 ILE A 11 4.164 -17.881 -22.353 1.00 0.00 C ATOM 150 CD1 ILE A 11 4.982 -14.894 -22.027 1.00 0.00 C ATOM 0 H ILE A 11 6.346 -17.051 -19.150 1.00 0.00 H new ATOM 0 HA ILE A 11 3.679 -17.941 -19.556 1.00 0.00 H new ATOM 0 HB ILE A 11 6.012 -17.372 -21.431 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.493 -15.779 -20.789 1.00 0.00 H new ATOM 0 HG13 ILE A 11 5.031 -15.513 -19.991 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.362 -17.287 -23.246 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.469 -18.913 -22.529 1.00 0.00 H new ATOM 0 HG23 ILE A 11 3.098 -17.851 -22.126 1.00 0.00 H new ATOM 0 HD11 ILE A 11 4.673 -13.881 -21.769 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.065 -14.923 -22.149 1.00 0.00 H new ATOM 0 HD13 ILE A 11 4.504 -15.193 -22.960 1.00 0.00 H new ATOM 162 N CYS A 12 6.112 -20.082 -20.177 1.00 0.00 N ATOM 163 CA CYS A 12 6.420 -21.489 -20.390 1.00 0.00 C ATOM 164 C CYS A 12 6.492 -22.267 -19.081 1.00 0.00 C ATOM 165 O CYS A 12 6.242 -23.478 -19.052 1.00 0.00 O ATOM 166 CB CYS A 12 7.769 -21.623 -21.090 1.00 0.00 C ATOM 167 SG CYS A 12 7.941 -20.670 -22.613 1.00 0.00 S ATOM 0 H CYS A 12 6.933 -19.486 -20.071 1.00 0.00 H new ATOM 0 HA CYS A 12 5.616 -21.900 -21.000 1.00 0.00 H new ATOM 0 HB2 CYS A 12 8.552 -21.315 -20.397 1.00 0.00 H new ATOM 0 HB3 CYS A 12 7.940 -22.675 -21.317 1.00 0.00 H new ATOM 172 N LEU A 13 6.838 -21.559 -18.005 1.00 0.00 N ATOM 173 CA LEU A 13 7.252 -22.175 -16.741 1.00 0.00 C ATOM 174 C LEU A 13 8.438 -23.091 -17.010 1.00 0.00 C ATOM 175 O LEU A 13 8.607 -24.140 -16.390 1.00 0.00 O ATOM 176 CB LEU A 13 6.092 -22.932 -16.075 1.00 0.00 C ATOM 177 CG LEU A 13 4.901 -22.069 -15.650 1.00 0.00 C ATOM 178 CD1 LEU A 13 3.788 -22.933 -15.102 1.00 0.00 C ATOM 179 CD2 LEU A 13 5.326 -21.036 -14.616 1.00 0.00 C ATOM 0 H LEU A 13 6.839 -20.539 -17.984 1.00 0.00 H new ATOM 0 HA LEU A 13 7.551 -21.395 -16.040 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.736 -23.697 -16.765 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.476 -23.449 -15.196 1.00 0.00 H new ATOM 0 HG LEU A 13 4.531 -21.543 -16.530 1.00 0.00 H new ATOM 0 HD11 LEU A 13 2.950 -22.302 -14.805 1.00 0.00 H new ATOM 0 HD12 LEU A 13 3.460 -23.634 -15.869 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.150 -23.487 -14.236 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.464 -20.434 -14.328 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.724 -21.543 -13.737 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.094 -20.390 -15.041 1.00 0.00 H new ATOM 191 N MET A 14 9.266 -22.650 -17.950 1.00 0.00 N ATOM 192 CA MET A 14 10.459 -23.358 -18.387 1.00 0.00 C ATOM 193 C MET A 14 11.583 -22.363 -18.599 1.00 0.00 C ATOM 194 O MET A 14 11.354 -21.150 -18.556 1.00 0.00 O ATOM 195 CB MET A 14 10.201 -24.142 -19.688 1.00 0.00 C ATOM 196 CG MET A 14 9.245 -25.315 -19.528 1.00 0.00 C ATOM 197 SD MET A 14 8.999 -26.263 -21.050 1.00 0.00 S ATOM 198 CE MET A 14 8.062 -25.097 -22.043 1.00 0.00 C ATOM 0 H MET A 14 9.121 -21.768 -18.440 1.00 0.00 H new ATOM 0 HA MET A 14 10.737 -24.075 -17.614 1.00 0.00 H new ATOM 0 HB2 MET A 14 9.799 -23.460 -20.437 1.00 0.00 H new ATOM 0 HB3 MET A 14 11.152 -24.512 -20.071 1.00 0.00 H new ATOM 0 HG2 MET A 14 9.626 -25.980 -18.753 1.00 0.00 H new ATOM 0 HG3 MET A 14 8.281 -24.942 -19.182 1.00 0.00 H new ATOM 0 HE1 MET A 14 7.611 -25.618 -22.888 1.00 0.00 H new ATOM 0 HE2 MET A 14 7.278 -24.648 -21.433 1.00 0.00 H new ATOM 0 HE3 MET A 14 8.727 -24.316 -22.412 1.00 0.00 H new ATOM 208 N ALA A 15 12.785 -22.874 -18.826 1.00 0.00 N ATOM 209 CA ALA A 15 13.968 -22.044 -19.047 1.00 0.00 C ATOM 210 C ALA A 15 13.796 -21.129 -20.264 1.00 0.00 C ATOM 211 O ALA A 15 13.059 -21.450 -21.202 1.00 0.00 O ATOM 212 CB ALA A 15 15.199 -22.919 -19.226 1.00 0.00 C ATOM 0 H ALA A 15 12.971 -23.876 -18.863 1.00 0.00 H new ATOM 0 HA ALA A 15 14.098 -21.413 -18.168 1.00 0.00 H new ATOM 0 HB1 ALA A 15 16.073 -22.288 -19.390 1.00 0.00 H new ATOM 0 HB2 ALA A 15 15.350 -23.523 -18.331 1.00 0.00 H new ATOM 0 HB3 ALA A 15 15.058 -23.574 -20.086 1.00 0.00 H new ATOM 218 N LEU A 16 14.482 -20.004 -20.236 1.00 0.00 N ATOM 219 CA LEU A 16 14.397 -19.008 -21.290 1.00 0.00 C ATOM 220 C LEU A 16 15.070 -19.520 -22.539 1.00 0.00 C ATOM 221 O LEU A 16 16.119 -20.140 -22.460 1.00 0.00 O ATOM 222 CB LEU A 16 15.131 -17.746 -20.843 1.00 0.00 C ATOM 223 CG LEU A 16 14.578 -17.026 -19.626 1.00 0.00 C ATOM 224 CD1 LEU A 16 15.490 -15.883 -19.236 1.00 0.00 C ATOM 225 CD2 LEU A 16 13.188 -16.505 -19.912 1.00 0.00 C ATOM 0 H LEU A 16 15.117 -19.752 -19.479 1.00 0.00 H new ATOM 0 HA LEU A 16 13.347 -18.796 -21.493 1.00 0.00 H new ATOM 0 HB2 LEU A 16 16.168 -18.011 -20.638 1.00 0.00 H new ATOM 0 HB3 LEU A 16 15.140 -17.045 -21.677 1.00 0.00 H new ATOM 0 HG LEU A 16 14.524 -17.733 -18.798 1.00 0.00 H new ATOM 0 HD11 LEU A 16 15.083 -15.374 -18.362 1.00 0.00 H new ATOM 0 HD12 LEU A 16 16.481 -16.272 -19.001 1.00 0.00 H new ATOM 0 HD13 LEU A 16 15.564 -15.178 -20.064 1.00 0.00 H new ATOM 0 HD21 LEU A 16 12.804 -15.991 -19.031 1.00 0.00 H new ATOM 0 HD22 LEU A 16 13.226 -15.809 -20.750 1.00 0.00 H new ATOM 0 HD23 LEU A 16 12.531 -17.338 -20.161 1.00 0.00 H new ATOM 237 N ARG A 17 14.480 -19.266 -23.690 1.00 0.00 N ATOM 238 CA ARG A 17 15.096 -19.694 -24.929 1.00 0.00 C ATOM 239 C ARG A 17 16.229 -18.738 -25.350 1.00 0.00 C ATOM 240 O ARG A 17 17.405 -19.085 -25.248 1.00 0.00 O ATOM 241 CB ARG A 17 14.045 -19.861 -26.040 1.00 0.00 C ATOM 242 CG ARG A 17 14.625 -20.252 -27.391 1.00 0.00 C ATOM 243 CD ARG A 17 15.270 -21.620 -27.339 1.00 0.00 C ATOM 244 NE ARG A 17 15.904 -21.985 -28.609 1.00 0.00 N ATOM 245 CZ ARG A 17 16.619 -23.098 -28.787 1.00 0.00 C ATOM 246 NH1 ARG A 17 16.726 -23.977 -27.796 1.00 0.00 N ATOM 247 NH2 ARG A 17 17.213 -23.337 -29.950 1.00 0.00 N ATOM 0 H ARG A 17 13.592 -18.775 -23.793 1.00 0.00 H new ATOM 0 HA ARG A 17 15.548 -20.671 -24.760 1.00 0.00 H new ATOM 0 HB2 ARG A 17 13.325 -20.619 -25.733 1.00 0.00 H new ATOM 0 HB3 ARG A 17 13.496 -18.926 -26.149 1.00 0.00 H new ATOM 0 HG2 ARG A 17 13.836 -20.248 -28.143 1.00 0.00 H new ATOM 0 HG3 ARG A 17 15.363 -19.512 -27.700 1.00 0.00 H new ATOM 0 HD2 ARG A 17 16.016 -21.637 -26.545 1.00 0.00 H new ATOM 0 HD3 ARG A 17 14.516 -22.365 -27.084 1.00 0.00 H new ATOM 0 HE ARG A 17 15.793 -21.353 -29.402 1.00 0.00 H new ATOM 0 HH11 ARG A 17 16.263 -23.800 -26.905 1.00 0.00 H new ATOM 0 HH12 ARG A 17 17.271 -24.829 -27.927 1.00 0.00 H new ATOM 0 HH21 ARG A 17 17.125 -22.668 -30.715 1.00 0.00 H new ATOM 0 HH22 ARG A 17 17.758 -24.190 -30.079 1.00 0.00 H new ATOM 261 N GLU A 18 15.876 -17.540 -25.806 1.00 0.00 N ATOM 262 CA GLU A 18 16.886 -16.536 -26.167 1.00 0.00 C ATOM 263 C GLU A 18 17.104 -15.550 -25.027 1.00 0.00 C ATOM 264 O GLU A 18 18.097 -14.824 -25.007 1.00 0.00 O ATOM 265 CB GLU A 18 16.459 -15.775 -27.416 1.00 0.00 C ATOM 266 CG GLU A 18 16.402 -16.616 -28.682 1.00 0.00 C ATOM 267 CD GLU A 18 15.838 -15.844 -29.851 1.00 0.00 C ATOM 268 OE1 GLU A 18 16.519 -14.918 -30.353 1.00 0.00 O ATOM 269 OE2 GLU A 18 14.701 -16.152 -30.274 1.00 0.00 O ATOM 0 H GLU A 18 14.911 -17.237 -25.935 1.00 0.00 H new ATOM 0 HA GLU A 18 17.820 -17.061 -26.365 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.476 -15.339 -27.241 1.00 0.00 H new ATOM 0 HB3 GLU A 18 17.151 -14.948 -27.576 1.00 0.00 H new ATOM 0 HG2 GLU A 18 17.404 -16.967 -28.929 1.00 0.00 H new ATOM 0 HG3 GLU A 18 15.790 -17.500 -28.502 1.00 0.00 H new ATOM 276 N ALA A 19 16.160 -15.544 -24.085 1.00 0.00 N ATOM 277 CA ALA A 19 16.184 -14.672 -22.908 1.00 0.00 C ATOM 278 C ALA A 19 16.099 -13.188 -23.255 1.00 0.00 C ATOM 279 O ALA A 19 17.083 -12.582 -23.667 1.00 0.00 O ATOM 280 CB ALA A 19 17.408 -14.942 -22.044 1.00 0.00 C ATOM 0 H ALA A 19 15.344 -16.155 -24.118 1.00 0.00 H new ATOM 0 HA ALA A 19 15.286 -14.917 -22.340 1.00 0.00 H new ATOM 0 HB1 ALA A 19 17.396 -14.279 -21.179 1.00 0.00 H new ATOM 0 HB2 ALA A 19 17.394 -15.978 -21.707 1.00 0.00 H new ATOM 0 HB3 ALA A 19 18.311 -14.762 -22.627 1.00 0.00 H new ATOM 286 N VAL A 20 14.930 -12.601 -23.082 1.00 0.00 N ATOM 287 CA VAL A 20 14.766 -11.164 -23.253 1.00 0.00 C ATOM 288 C VAL A 20 14.344 -10.499 -21.948 1.00 0.00 C ATOM 289 O VAL A 20 13.307 -10.839 -21.362 1.00 0.00 O ATOM 290 CB VAL A 20 13.806 -10.761 -24.412 1.00 0.00 C ATOM 291 CG1 VAL A 20 14.406 -11.149 -25.755 1.00 0.00 C ATOM 292 CG2 VAL A 20 12.423 -11.371 -24.248 1.00 0.00 C ATOM 0 H VAL A 20 14.076 -13.095 -22.823 1.00 0.00 H new ATOM 0 HA VAL A 20 15.750 -10.796 -23.543 1.00 0.00 H new ATOM 0 HB VAL A 20 13.686 -9.678 -24.375 1.00 0.00 H new ATOM 0 HG11 VAL A 20 13.724 -10.861 -26.555 1.00 0.00 H new ATOM 0 HG12 VAL A 20 15.359 -10.637 -25.889 1.00 0.00 H new ATOM 0 HG13 VAL A 20 14.565 -12.227 -25.784 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.788 -11.063 -25.079 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.504 -12.458 -24.237 1.00 0.00 H new ATOM 0 HG23 VAL A 20 11.984 -11.030 -23.310 1.00 0.00 H new ATOM 302 N GLN A 21 15.180 -9.605 -21.475 1.00 0.00 N ATOM 303 CA GLN A 21 14.928 -8.857 -20.268 1.00 0.00 C ATOM 304 C GLN A 21 13.984 -7.699 -20.567 1.00 0.00 C ATOM 305 O GLN A 21 14.125 -7.012 -21.573 1.00 0.00 O ATOM 306 CB GLN A 21 16.253 -8.327 -19.700 1.00 0.00 C ATOM 307 CG GLN A 21 16.138 -7.613 -18.359 1.00 0.00 C ATOM 308 CD GLN A 21 17.467 -7.052 -17.888 1.00 0.00 C ATOM 309 OE1 GLN A 21 18.299 -6.636 -18.690 1.00 0.00 O ATOM 310 NE2 GLN A 21 17.686 -7.050 -16.593 1.00 0.00 N ATOM 0 H GLN A 21 16.066 -9.374 -21.925 1.00 0.00 H new ATOM 0 HA GLN A 21 14.463 -9.510 -19.529 1.00 0.00 H new ATOM 0 HB2 GLN A 21 16.945 -9.162 -19.592 1.00 0.00 H new ATOM 0 HB3 GLN A 21 16.693 -7.641 -20.424 1.00 0.00 H new ATOM 0 HG2 GLN A 21 15.414 -6.803 -18.442 1.00 0.00 H new ATOM 0 HG3 GLN A 21 15.754 -8.308 -17.612 1.00 0.00 H new ATOM 0 HE21 GLN A 21 16.973 -7.403 -15.955 1.00 0.00 H new ATOM 0 HE22 GLN A 21 18.569 -6.695 -16.226 1.00 0.00 H new ATOM 319 N THR A 22 13.014 -7.516 -19.715 1.00 0.00 N ATOM 320 CA THR A 22 12.126 -6.383 -19.796 1.00 0.00 C ATOM 321 C THR A 22 12.643 -5.294 -18.858 1.00 0.00 C ATOM 322 O THR A 22 13.292 -5.615 -17.851 1.00 0.00 O ATOM 323 CB THR A 22 10.692 -6.790 -19.399 1.00 0.00 C ATOM 324 OG1 THR A 22 10.736 -7.519 -18.167 1.00 0.00 O ATOM 325 CG2 THR A 22 10.062 -7.663 -20.476 1.00 0.00 C ATOM 0 H THR A 22 12.814 -8.149 -18.941 1.00 0.00 H new ATOM 0 HA THR A 22 12.099 -6.011 -20.820 1.00 0.00 H new ATOM 0 HB THR A 22 10.090 -5.889 -19.284 1.00 0.00 H new ATOM 0 HG1 THR A 22 10.558 -6.910 -17.420 1.00 0.00 H new ATOM 0 HG21 THR A 22 9.051 -7.939 -20.176 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.024 -7.111 -21.415 1.00 0.00 H new ATOM 0 HG23 THR A 22 10.660 -8.565 -20.609 1.00 0.00 H new ATOM 333 N PRO A 23 12.361 -4.002 -19.144 1.00 0.00 N ATOM 334 CA PRO A 23 12.929 -2.872 -18.387 1.00 0.00 C ATOM 335 C PRO A 23 12.554 -2.872 -16.898 1.00 0.00 C ATOM 336 O PRO A 23 13.295 -2.344 -16.066 1.00 0.00 O ATOM 337 CB PRO A 23 12.352 -1.637 -19.096 1.00 0.00 C ATOM 338 CG PRO A 23 11.135 -2.141 -19.779 1.00 0.00 C ATOM 339 CD PRO A 23 11.483 -3.526 -20.232 1.00 0.00 C ATOM 0 HA PRO A 23 14.018 -2.912 -18.381 1.00 0.00 H new ATOM 0 HB2 PRO A 23 12.111 -0.847 -18.385 1.00 0.00 H new ATOM 0 HB3 PRO A 23 13.063 -1.219 -19.808 1.00 0.00 H new ATOM 0 HG2 PRO A 23 10.280 -2.151 -19.103 1.00 0.00 H new ATOM 0 HG3 PRO A 23 10.866 -1.506 -20.624 1.00 0.00 H new ATOM 0 HD2 PRO A 23 10.598 -4.152 -20.343 1.00 0.00 H new ATOM 0 HD3 PRO A 23 11.994 -3.523 -21.195 1.00 0.00 H new ATOM 347 N CYS A 24 11.417 -3.471 -16.562 1.00 0.00 N ATOM 348 CA CYS A 24 10.988 -3.554 -15.179 1.00 0.00 C ATOM 349 C CYS A 24 11.708 -4.676 -14.423 1.00 0.00 C ATOM 350 O CYS A 24 11.760 -4.671 -13.192 1.00 0.00 O ATOM 351 CB CYS A 24 9.475 -3.688 -15.090 1.00 0.00 C ATOM 352 SG CYS A 24 8.748 -4.715 -16.390 1.00 0.00 S ATOM 0 H CYS A 24 10.780 -3.904 -17.230 1.00 0.00 H new ATOM 0 HA CYS A 24 11.268 -2.622 -14.688 1.00 0.00 H new ATOM 0 HB2 CYS A 24 9.215 -4.111 -14.120 1.00 0.00 H new ATOM 0 HB3 CYS A 24 9.029 -2.694 -15.135 1.00 0.00 H new ATOM 357 N GLY A 25 12.274 -5.627 -15.159 1.00 0.00 N ATOM 358 CA GLY A 25 13.080 -6.657 -14.525 1.00 0.00 C ATOM 359 C GLY A 25 12.474 -8.049 -14.564 1.00 0.00 C ATOM 360 O GLY A 25 12.410 -8.732 -13.548 1.00 0.00 O ATOM 0 H GLY A 25 12.191 -5.704 -16.173 1.00 0.00 H new ATOM 0 HA2 GLY A 25 14.056 -6.686 -15.010 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.250 -6.378 -13.485 1.00 0.00 H new ATOM 364 N HIS A 26 12.023 -8.471 -15.726 1.00 0.00 N ATOM 365 CA HIS A 26 11.528 -9.842 -15.895 1.00 0.00 C ATOM 366 C HIS A 26 12.144 -10.381 -17.147 1.00 0.00 C ATOM 367 O HIS A 26 12.459 -9.604 -18.051 1.00 0.00 O ATOM 368 CB HIS A 26 10.006 -9.891 -16.072 1.00 0.00 C ATOM 369 CG HIS A 26 9.245 -8.966 -15.199 1.00 0.00 C ATOM 370 ND1 HIS A 26 9.022 -9.185 -13.860 1.00 0.00 N ATOM 371 CD2 HIS A 26 8.669 -7.794 -15.488 1.00 0.00 C ATOM 372 CE1 HIS A 26 8.337 -8.175 -13.363 1.00 0.00 C ATOM 373 NE2 HIS A 26 8.111 -7.314 -14.343 1.00 0.00 N ATOM 0 H HIS A 26 11.984 -7.898 -16.569 1.00 0.00 H new ATOM 0 HA HIS A 26 11.787 -10.417 -15.006 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.768 -9.664 -17.111 1.00 0.00 H new ATOM 0 HB3 HIS A 26 9.666 -10.909 -15.882 1.00 0.00 H new ATOM 0 HD1 HIS A 26 9.337 -10.000 -13.334 1.00 0.00 H new ATOM 0 HD2 HIS A 26 8.650 -7.315 -16.456 1.00 0.00 H new ATOM 0 HE1 HIS A 26 8.016 -8.068 -12.337 1.00 0.00 H new ATOM 380 N ARG A 27 12.324 -11.668 -17.232 1.00 0.00 N ATOM 381 CA ARG A 27 12.858 -12.231 -18.441 1.00 0.00 C ATOM 382 C ARG A 27 11.906 -13.242 -19.033 1.00 0.00 C ATOM 383 O ARG A 27 11.327 -14.055 -18.324 1.00 0.00 O ATOM 384 CB ARG A 27 14.251 -12.818 -18.226 1.00 0.00 C ATOM 385 CG ARG A 27 15.290 -11.766 -17.887 1.00 0.00 C ATOM 386 CD ARG A 27 16.678 -12.353 -17.749 1.00 0.00 C ATOM 387 NE ARG A 27 17.647 -11.312 -17.419 1.00 0.00 N ATOM 388 CZ ARG A 27 18.895 -11.254 -17.882 1.00 0.00 C ATOM 389 NH1 ARG A 27 19.374 -12.219 -18.654 1.00 0.00 N ATOM 390 NH2 ARG A 27 19.670 -10.236 -17.545 1.00 0.00 N ATOM 0 H ARG A 27 12.113 -12.339 -16.493 1.00 0.00 H new ATOM 0 HA ARG A 27 12.968 -11.421 -19.163 1.00 0.00 H new ATOM 0 HB2 ARG A 27 14.210 -13.553 -17.422 1.00 0.00 H new ATOM 0 HB3 ARG A 27 14.559 -13.348 -19.127 1.00 0.00 H new ATOM 0 HG2 ARG A 27 15.297 -11.002 -18.664 1.00 0.00 H new ATOM 0 HG3 ARG A 27 15.013 -11.272 -16.956 1.00 0.00 H new ATOM 0 HD2 ARG A 27 16.679 -13.118 -16.972 1.00 0.00 H new ATOM 0 HD3 ARG A 27 16.965 -12.843 -18.679 1.00 0.00 H new ATOM 0 HE ARG A 27 17.345 -10.572 -16.785 1.00 0.00 H new ATOM 0 HH11 ARG A 27 18.786 -13.016 -18.899 1.00 0.00 H new ATOM 0 HH12 ARG A 27 20.331 -12.165 -19.003 1.00 0.00 H new ATOM 0 HH21 ARG A 27 19.311 -9.502 -16.934 1.00 0.00 H new ATOM 0 HH22 ARG A 27 20.626 -10.185 -17.896 1.00 0.00 H new ATOM 404 N PHE A 28 11.742 -13.163 -20.331 1.00 0.00 N ATOM 405 CA PHE A 28 10.831 -14.020 -21.073 1.00 0.00 C ATOM 406 C PHE A 28 11.542 -14.518 -22.308 1.00 0.00 C ATOM 407 O PHE A 28 12.645 -14.061 -22.615 1.00 0.00 O ATOM 408 CB PHE A 28 9.581 -13.234 -21.509 1.00 0.00 C ATOM 409 CG PHE A 28 8.709 -12.727 -20.390 1.00 0.00 C ATOM 410 CD1 PHE A 28 7.691 -13.515 -19.878 1.00 0.00 C ATOM 411 CD2 PHE A 28 8.892 -11.452 -19.865 1.00 0.00 C ATOM 412 CE1 PHE A 28 6.873 -13.049 -18.864 1.00 0.00 C ATOM 413 CE2 PHE A 28 8.079 -10.984 -18.848 1.00 0.00 C ATOM 414 CZ PHE A 28 7.069 -11.784 -18.348 1.00 0.00 C ATOM 0 H PHE A 28 12.242 -12.494 -20.916 1.00 0.00 H new ATOM 0 HA PHE A 28 10.523 -14.849 -20.436 1.00 0.00 H new ATOM 0 HB2 PHE A 28 9.900 -12.383 -22.111 1.00 0.00 H new ATOM 0 HB3 PHE A 28 8.978 -13.873 -22.154 1.00 0.00 H new ATOM 0 HD1 PHE A 28 7.534 -14.507 -20.276 1.00 0.00 H new ATOM 0 HD2 PHE A 28 9.677 -10.821 -20.255 1.00 0.00 H new ATOM 0 HE1 PHE A 28 6.082 -13.674 -18.477 1.00 0.00 H new ATOM 0 HE2 PHE A 28 8.234 -9.994 -18.445 1.00 0.00 H new ATOM 0 HZ PHE A 28 6.434 -11.420 -17.554 1.00 0.00 H new ATOM 424 N CYS A 29 10.956 -15.461 -22.999 1.00 0.00 N ATOM 425 CA CYS A 29 11.503 -15.861 -24.273 1.00 0.00 C ATOM 426 C CYS A 29 11.092 -14.838 -25.325 1.00 0.00 C ATOM 427 O CYS A 29 10.047 -14.199 -25.202 1.00 0.00 O ATOM 428 CB CYS A 29 11.010 -17.237 -24.672 1.00 0.00 C ATOM 429 SG CYS A 29 11.245 -18.528 -23.408 1.00 0.00 S ATOM 0 H CYS A 29 10.115 -15.960 -22.710 1.00 0.00 H new ATOM 0 HA CYS A 29 12.589 -15.906 -24.194 1.00 0.00 H new ATOM 0 HB2 CYS A 29 9.949 -17.172 -24.912 1.00 0.00 H new ATOM 0 HB3 CYS A 29 11.525 -17.542 -25.583 1.00 0.00 H new ATOM 434 N LYS A 30 11.891 -14.717 -26.359 1.00 0.00 N ATOM 435 CA LYS A 30 11.750 -13.658 -27.348 1.00 0.00 C ATOM 436 C LYS A 30 10.476 -13.797 -28.195 1.00 0.00 C ATOM 437 O LYS A 30 10.085 -12.864 -28.886 1.00 0.00 O ATOM 438 CB LYS A 30 12.998 -13.618 -28.235 1.00 0.00 C ATOM 439 CG LYS A 30 13.032 -12.490 -29.251 1.00 0.00 C ATOM 440 CD LYS A 30 14.324 -12.522 -30.038 1.00 0.00 C ATOM 441 CE LYS A 30 14.403 -11.394 -31.045 1.00 0.00 C ATOM 442 NZ LYS A 30 15.689 -11.412 -31.784 1.00 0.00 N ATOM 0 H LYS A 30 12.666 -15.353 -26.545 1.00 0.00 H new ATOM 0 HA LYS A 30 11.652 -12.715 -26.811 1.00 0.00 H new ATOM 0 HB2 LYS A 30 13.877 -13.536 -27.595 1.00 0.00 H new ATOM 0 HB3 LYS A 30 13.078 -14.567 -28.766 1.00 0.00 H new ATOM 0 HG2 LYS A 30 12.184 -12.579 -29.930 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.934 -11.531 -28.742 1.00 0.00 H new ATOM 0 HD2 LYS A 30 15.168 -12.455 -29.352 1.00 0.00 H new ATOM 0 HD3 LYS A 30 14.409 -13.477 -30.556 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.576 -11.476 -31.750 1.00 0.00 H new ATOM 0 HE3 LYS A 30 14.291 -10.439 -30.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 15.709 -10.626 -32.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 16.477 -11.309 -31.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 15.784 -12.314 -32.293 1.00 0.00 H new ATOM 456 N ALA A 31 9.818 -14.937 -28.128 1.00 0.00 N ATOM 457 CA ALA A 31 8.607 -15.123 -28.908 1.00 0.00 C ATOM 458 C ALA A 31 7.394 -15.281 -28.010 1.00 0.00 C ATOM 459 O ALA A 31 6.291 -14.844 -28.361 1.00 0.00 O ATOM 460 CB ALA A 31 8.741 -16.318 -29.846 1.00 0.00 C ATOM 0 H ALA A 31 10.092 -15.735 -27.555 1.00 0.00 H new ATOM 0 HA ALA A 31 8.463 -14.228 -29.513 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.821 -16.436 -30.419 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.575 -16.153 -30.528 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.923 -17.220 -29.262 1.00 0.00 H new ATOM 466 N CYS A 32 7.603 -15.858 -26.839 1.00 0.00 N ATOM 467 CA CYS A 32 6.533 -16.069 -25.884 1.00 0.00 C ATOM 468 C CYS A 32 5.958 -14.743 -25.426 1.00 0.00 C ATOM 469 O CYS A 32 4.745 -14.574 -25.360 1.00 0.00 O ATOM 470 CB CYS A 32 7.061 -16.838 -24.688 1.00 0.00 C ATOM 471 SG CYS A 32 8.002 -18.323 -25.131 1.00 0.00 S ATOM 0 H CYS A 32 8.515 -16.191 -26.526 1.00 0.00 H new ATOM 0 HA CYS A 32 5.742 -16.643 -26.367 1.00 0.00 H new ATOM 0 HB2 CYS A 32 7.697 -16.179 -24.096 1.00 0.00 H new ATOM 0 HB3 CYS A 32 6.223 -17.126 -24.054 1.00 0.00 H new ATOM 476 N ILE A 33 6.841 -13.798 -25.124 1.00 0.00 N ATOM 477 CA ILE A 33 6.406 -12.497 -24.658 1.00 0.00 C ATOM 478 C ILE A 33 5.622 -11.763 -25.753 1.00 0.00 C ATOM 479 O ILE A 33 4.576 -11.183 -25.485 1.00 0.00 O ATOM 480 CB ILE A 33 7.597 -11.636 -24.138 1.00 0.00 C ATOM 481 CG1 ILE A 33 7.109 -10.342 -23.479 1.00 0.00 C ATOM 482 CG2 ILE A 33 8.616 -11.342 -25.230 1.00 0.00 C ATOM 483 CD1 ILE A 33 6.277 -10.567 -22.234 1.00 0.00 C ATOM 0 H ILE A 33 7.852 -13.911 -25.194 1.00 0.00 H new ATOM 0 HA ILE A 33 5.739 -12.657 -23.811 1.00 0.00 H new ATOM 0 HB ILE A 33 8.103 -12.231 -23.378 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.972 -9.728 -23.222 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.520 -9.777 -24.201 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.426 -10.740 -24.819 1.00 0.00 H new ATOM 0 HG22 ILE A 33 9.019 -12.279 -25.613 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.133 -10.796 -26.041 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.968 -9.605 -21.824 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.394 -11.154 -22.488 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.869 -11.104 -21.493 1.00 0.00 H new ATOM 495 N ILE A 34 6.094 -11.857 -26.994 1.00 0.00 N ATOM 496 CA ILE A 34 5.435 -11.204 -28.118 1.00 0.00 C ATOM 497 C ILE A 34 4.038 -11.774 -28.333 1.00 0.00 C ATOM 498 O ILE A 34 3.071 -11.028 -28.500 1.00 0.00 O ATOM 499 CB ILE A 34 6.264 -11.304 -29.428 1.00 0.00 C ATOM 500 CG1 ILE A 34 7.551 -10.474 -29.299 1.00 0.00 C ATOM 501 CG2 ILE A 34 5.441 -10.861 -30.638 1.00 0.00 C ATOM 502 CD1 ILE A 34 8.515 -10.630 -30.458 1.00 0.00 C ATOM 0 H ILE A 34 6.932 -12.381 -27.245 1.00 0.00 H new ATOM 0 HA ILE A 34 5.353 -10.147 -27.864 1.00 0.00 H new ATOM 0 HB ILE A 34 6.538 -12.347 -29.586 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.282 -9.422 -29.205 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.060 -10.757 -28.378 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.048 -10.942 -31.540 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.562 -11.499 -30.733 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.126 -9.826 -30.504 1.00 0.00 H new ATOM 0 HD11 ILE A 34 9.395 -10.010 -30.285 1.00 0.00 H new ATOM 0 HD12 ILE A 34 8.817 -11.674 -30.542 1.00 0.00 H new ATOM 0 HD13 ILE A 34 8.027 -10.318 -31.382 1.00 0.00 H new ATOM 514 N LYS A 35 3.922 -13.089 -28.259 1.00 0.00 N ATOM 515 CA LYS A 35 2.675 -13.763 -28.582 1.00 0.00 C ATOM 516 C LYS A 35 1.692 -13.675 -27.401 1.00 0.00 C ATOM 517 O LYS A 35 0.555 -14.121 -27.495 1.00 0.00 O ATOM 518 CB LYS A 35 2.979 -15.237 -28.930 1.00 0.00 C ATOM 519 CG LYS A 35 1.789 -16.074 -29.397 1.00 0.00 C ATOM 520 CD LYS A 35 1.303 -15.671 -30.790 1.00 0.00 C ATOM 521 CE LYS A 35 2.258 -16.134 -31.893 1.00 0.00 C ATOM 522 NZ LYS A 35 2.507 -17.603 -31.852 1.00 0.00 N ATOM 0 H LYS A 35 4.678 -13.713 -27.977 1.00 0.00 H new ATOM 0 HA LYS A 35 2.209 -13.277 -29.439 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.740 -15.256 -29.710 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.412 -15.715 -28.051 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.070 -17.127 -29.404 1.00 0.00 H new ATOM 0 HG3 LYS A 35 0.971 -15.967 -28.685 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.315 -16.097 -30.965 1.00 0.00 H new ATOM 0 HD3 LYS A 35 1.196 -14.587 -30.836 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.843 -15.866 -32.865 1.00 0.00 H new ATOM 0 HE3 LYS A 35 3.206 -15.605 -31.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 2.926 -17.909 -32.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 3.161 -17.823 -31.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.608 -18.103 -31.700 1.00 0.00 H new ATOM 536 N SER A 36 2.132 -13.080 -26.302 1.00 0.00 N ATOM 537 CA SER A 36 1.259 -12.859 -25.167 1.00 0.00 C ATOM 538 C SER A 36 0.885 -11.370 -25.052 1.00 0.00 C ATOM 539 O SER A 36 -0.172 -11.023 -24.515 1.00 0.00 O ATOM 540 CB SER A 36 1.907 -13.381 -23.866 1.00 0.00 C ATOM 541 OG SER A 36 1.024 -13.267 -22.753 1.00 0.00 O ATOM 0 H SER A 36 3.087 -12.744 -26.176 1.00 0.00 H new ATOM 0 HA SER A 36 0.339 -13.422 -25.325 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.195 -14.424 -23.996 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.820 -12.821 -23.665 1.00 0.00 H new ATOM 0 HG SER A 36 1.467 -13.608 -21.948 1.00 0.00 H new ATOM 547 N ILE A 37 1.707 -10.486 -25.623 1.00 0.00 N ATOM 548 CA ILE A 37 1.462 -9.053 -25.458 1.00 0.00 C ATOM 549 C ILE A 37 0.815 -8.464 -26.698 1.00 0.00 C ATOM 550 O ILE A 37 0.397 -7.310 -26.712 1.00 0.00 O ATOM 551 CB ILE A 37 2.743 -8.251 -25.110 1.00 0.00 C ATOM 552 CG1 ILE A 37 3.784 -8.360 -26.234 1.00 0.00 C ATOM 553 CG2 ILE A 37 3.320 -8.713 -23.780 1.00 0.00 C ATOM 554 CD1 ILE A 37 5.009 -7.493 -26.030 1.00 0.00 C ATOM 0 H ILE A 37 2.523 -10.727 -26.186 1.00 0.00 H new ATOM 0 HA ILE A 37 0.781 -8.964 -24.611 1.00 0.00 H new ATOM 0 HB ILE A 37 2.471 -7.200 -25.013 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.099 -9.400 -26.323 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.313 -8.088 -27.178 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.218 -8.138 -23.554 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.583 -8.561 -22.991 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.572 -9.772 -23.841 1.00 0.00 H new ATOM 0 HD11 ILE A 37 5.694 -7.628 -26.867 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.709 -6.447 -25.972 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.507 -7.779 -25.104 1.00 0.00 H new ATOM 566 N ARG A 38 0.729 -9.252 -27.745 1.00 0.00 N ATOM 567 CA ARG A 38 -0.102 -8.871 -28.865 1.00 0.00 C ATOM 568 C ARG A 38 -1.414 -9.648 -28.816 1.00 0.00 C ATOM 569 O ARG A 38 -2.247 -9.552 -29.715 1.00 0.00 O ATOM 570 CB ARG A 38 0.602 -9.036 -30.212 1.00 0.00 C ATOM 571 CG ARG A 38 0.922 -10.461 -30.614 1.00 0.00 C ATOM 572 CD ARG A 38 1.561 -10.483 -31.993 1.00 0.00 C ATOM 573 NE ARG A 38 0.636 -9.989 -33.016 1.00 0.00 N ATOM 574 CZ ARG A 38 0.949 -9.135 -34.002 1.00 0.00 C ATOM 575 NH1 ARG A 38 2.193 -8.670 -34.137 1.00 0.00 N ATOM 576 NH2 ARG A 38 0.011 -8.756 -34.854 1.00 0.00 N ATOM 0 H ARG A 38 1.214 -10.144 -27.846 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.314 -7.806 -28.775 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.024 -8.591 -30.986 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.531 -8.467 -30.188 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.596 -10.910 -29.885 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.011 -11.060 -30.617 1.00 0.00 H new ATOM 0 HD2 ARG A 38 2.462 -9.870 -31.988 1.00 0.00 H new ATOM 0 HD3 ARG A 38 1.868 -11.500 -32.238 1.00 0.00 H new ATOM 0 HE ARG A 38 -0.327 -10.322 -32.975 1.00 0.00 H new ATOM 0 HH11 ARG A 38 2.921 -8.964 -33.485 1.00 0.00 H new ATOM 0 HH12 ARG A 38 2.416 -8.021 -34.892 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -0.940 -9.113 -34.758 1.00 0.00 H new ATOM 0 HH22 ARG A 38 0.238 -8.107 -35.607 1.00 0.00 H new ATOM 590 N ASP A 39 -1.590 -10.384 -27.723 1.00 0.00 N ATOM 591 CA ASP A 39 -2.732 -11.269 -27.535 1.00 0.00 C ATOM 592 C ASP A 39 -3.610 -10.759 -26.405 1.00 0.00 C ATOM 593 O ASP A 39 -4.803 -10.532 -26.592 1.00 0.00 O ATOM 594 CB ASP A 39 -2.242 -12.682 -27.205 1.00 0.00 C ATOM 595 CG ASP A 39 -3.365 -13.652 -26.912 1.00 0.00 C ATOM 596 OD1 ASP A 39 -4.020 -14.121 -27.864 1.00 0.00 O ATOM 597 OD2 ASP A 39 -3.596 -13.962 -25.729 1.00 0.00 O ATOM 0 H ASP A 39 -0.939 -10.382 -26.938 1.00 0.00 H new ATOM 0 HA ASP A 39 -3.315 -11.292 -28.456 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.654 -13.060 -28.042 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.577 -12.636 -26.343 1.00 0.00 H new ATOM 602 N ALA A 40 -3.022 -10.562 -25.248 1.00 0.00 N ATOM 603 CA ALA A 40 -3.745 -10.005 -24.123 1.00 0.00 C ATOM 604 C ALA A 40 -3.719 -8.480 -24.195 1.00 0.00 C ATOM 605 O ALA A 40 -4.755 -7.831 -24.378 1.00 0.00 O ATOM 606 CB ALA A 40 -3.134 -10.497 -22.818 1.00 0.00 C ATOM 0 H ALA A 40 -2.043 -10.779 -25.059 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.783 -10.334 -24.161 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.683 -10.074 -21.977 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.190 -11.585 -22.777 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.091 -10.185 -22.764 1.00 0.00 H new ATOM 612 N GLY A 41 -2.536 -7.929 -24.044 1.00 0.00 N ATOM 613 CA GLY A 41 -2.320 -6.509 -24.141 1.00 0.00 C ATOM 614 C GLY A 41 -0.849 -6.237 -24.049 1.00 0.00 C ATOM 615 O GLY A 41 -0.093 -7.136 -23.675 1.00 0.00 O ATOM 0 H GLY A 41 -1.689 -8.463 -23.848 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.716 -6.131 -25.084 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.850 -5.991 -23.342 1.00 0.00 H new ATOM 619 N HIS A 42 -0.418 -5.040 -24.377 1.00 0.00 N ATOM 620 CA HIS A 42 0.997 -4.730 -24.282 1.00 0.00 C ATOM 621 C HIS A 42 1.386 -4.424 -22.852 1.00 0.00 C ATOM 622 O HIS A 42 1.515 -3.269 -22.455 1.00 0.00 O ATOM 623 CB HIS A 42 1.430 -3.619 -25.243 1.00 0.00 C ATOM 624 CG HIS A 42 1.565 -4.066 -26.670 1.00 0.00 C ATOM 625 ND1 HIS A 42 0.577 -3.920 -27.617 1.00 0.00 N ATOM 626 CD2 HIS A 42 2.606 -4.654 -27.309 1.00 0.00 C ATOM 627 CE1 HIS A 42 1.002 -4.394 -28.774 1.00 0.00 C ATOM 628 NE2 HIS A 42 2.229 -4.846 -28.614 1.00 0.00 N ATOM 0 H HIS A 42 -1.010 -4.277 -24.706 1.00 0.00 H new ATOM 0 HA HIS A 42 1.540 -5.621 -24.597 1.00 0.00 H new ATOM 0 HB2 HIS A 42 0.705 -2.807 -25.194 1.00 0.00 H new ATOM 0 HB3 HIS A 42 2.385 -3.214 -24.908 1.00 0.00 H new ATOM 0 HD2 HIS A 42 3.556 -4.922 -26.872 1.00 0.00 H new ATOM 0 HE1 HIS A 42 0.439 -4.409 -29.695 1.00 0.00 H new ATOM 0 HE2 HIS A 42 2.805 -5.270 -29.342 1.00 0.00 H new ATOM 637 N LYS A 43 1.517 -5.476 -22.078 1.00 0.00 N ATOM 638 CA LYS A 43 1.866 -5.399 -20.687 1.00 0.00 C ATOM 639 C LYS A 43 2.580 -6.679 -20.295 1.00 0.00 C ATOM 640 O LYS A 43 2.323 -7.729 -20.889 1.00 0.00 O ATOM 641 CB LYS A 43 0.590 -5.208 -19.841 1.00 0.00 C ATOM 642 CG LYS A 43 -0.372 -6.392 -19.886 1.00 0.00 C ATOM 643 CD LYS A 43 -1.629 -6.137 -19.060 1.00 0.00 C ATOM 644 CE LYS A 43 -2.500 -5.069 -19.709 1.00 0.00 C ATOM 645 NZ LYS A 43 -3.774 -4.861 -18.987 1.00 0.00 N ATOM 0 H LYS A 43 1.380 -6.430 -22.411 1.00 0.00 H new ATOM 0 HA LYS A 43 2.525 -4.549 -20.509 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.878 -5.027 -18.805 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.068 -4.316 -20.187 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.652 -6.593 -20.920 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.132 -7.284 -19.513 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.196 -7.062 -18.959 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.350 -5.823 -18.054 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.949 -4.129 -19.746 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.712 -5.355 -20.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.330 -4.125 -19.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.314 -5.750 -18.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.575 -4.562 -18.011 1.00 0.00 H new ATOM 659 N CYS A 44 3.483 -6.604 -19.334 1.00 0.00 N ATOM 660 CA CYS A 44 4.117 -7.802 -18.844 1.00 0.00 C ATOM 661 C CYS A 44 3.062 -8.616 -18.117 1.00 0.00 C ATOM 662 O CYS A 44 2.354 -8.076 -17.264 1.00 0.00 O ATOM 663 CB CYS A 44 5.237 -7.473 -17.871 1.00 0.00 C ATOM 664 SG CYS A 44 6.139 -5.936 -18.217 1.00 0.00 S ATOM 0 H CYS A 44 3.786 -5.739 -18.887 1.00 0.00 H new ATOM 0 HA CYS A 44 4.545 -8.352 -19.682 1.00 0.00 H new ATOM 0 HB2 CYS A 44 4.817 -7.410 -16.867 1.00 0.00 H new ATOM 0 HB3 CYS A 44 5.948 -8.299 -17.868 1.00 0.00 H new ATOM 669 N PRO A 45 2.944 -9.914 -18.424 1.00 0.00 N ATOM 670 CA PRO A 45 1.895 -10.771 -17.852 1.00 0.00 C ATOM 671 C PRO A 45 1.924 -10.780 -16.323 1.00 0.00 C ATOM 672 O PRO A 45 0.883 -10.869 -15.667 1.00 0.00 O ATOM 673 CB PRO A 45 2.250 -12.161 -18.390 1.00 0.00 C ATOM 674 CG PRO A 45 3.003 -11.892 -19.642 1.00 0.00 C ATOM 675 CD PRO A 45 3.809 -10.663 -19.357 1.00 0.00 C ATOM 0 HA PRO A 45 0.896 -10.429 -18.121 1.00 0.00 H new ATOM 0 HB2 PRO A 45 2.854 -12.721 -17.676 1.00 0.00 H new ATOM 0 HB3 PRO A 45 1.355 -12.752 -18.584 1.00 0.00 H new ATOM 0 HG2 PRO A 45 3.646 -12.733 -19.904 1.00 0.00 H new ATOM 0 HG3 PRO A 45 2.327 -11.734 -20.482 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.772 -10.906 -18.909 1.00 0.00 H new ATOM 0 HD3 PRO A 45 4.014 -10.094 -20.264 1.00 0.00 H new ATOM 683 N VAL A 46 3.122 -10.683 -15.768 1.00 0.00 N ATOM 684 CA VAL A 46 3.325 -10.792 -14.335 1.00 0.00 C ATOM 685 C VAL A 46 2.953 -9.521 -13.531 1.00 0.00 C ATOM 686 O VAL A 46 2.140 -9.594 -12.611 1.00 0.00 O ATOM 687 CB VAL A 46 4.759 -11.274 -13.990 1.00 0.00 C ATOM 688 CG1 VAL A 46 4.939 -12.721 -14.425 1.00 0.00 C ATOM 689 CG2 VAL A 46 5.800 -10.404 -14.676 1.00 0.00 C ATOM 0 H VAL A 46 3.979 -10.527 -16.299 1.00 0.00 H new ATOM 0 HA VAL A 46 2.615 -11.555 -14.014 1.00 0.00 H new ATOM 0 HB VAL A 46 4.895 -11.198 -12.911 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.948 -13.052 -14.179 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.215 -13.350 -13.907 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.783 -12.800 -15.501 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.798 -10.760 -14.420 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.662 -10.455 -15.756 1.00 0.00 H new ATOM 0 HG23 VAL A 46 5.687 -9.372 -14.345 1.00 0.00 H new ATOM 699 N ASP A 47 3.519 -8.366 -13.875 1.00 0.00 N ATOM 700 CA ASP A 47 3.290 -7.153 -13.066 1.00 0.00 C ATOM 701 C ASP A 47 2.316 -6.199 -13.732 1.00 0.00 C ATOM 702 O ASP A 47 2.065 -5.110 -13.218 1.00 0.00 O ATOM 703 CB ASP A 47 4.609 -6.411 -12.778 1.00 0.00 C ATOM 704 CG ASP A 47 5.376 -6.007 -14.028 1.00 0.00 C ATOM 705 OD1 ASP A 47 5.154 -6.567 -15.104 1.00 0.00 O ATOM 706 OD2 ASP A 47 6.248 -5.136 -13.960 1.00 0.00 O ATOM 0 H ASP A 47 4.125 -8.236 -14.685 1.00 0.00 H new ATOM 0 HA ASP A 47 2.856 -7.492 -12.126 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.391 -5.518 -12.193 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.245 -7.047 -12.163 1.00 0.00 H new ATOM 711 N ASN A 48 1.762 -6.625 -14.864 1.00 0.00 N ATOM 712 CA ASN A 48 0.732 -5.877 -15.604 1.00 0.00 C ATOM 713 C ASN A 48 1.170 -4.451 -15.950 1.00 0.00 C ATOM 714 O ASN A 48 0.346 -3.542 -16.052 1.00 0.00 O ATOM 715 CB ASN A 48 -0.602 -5.865 -14.842 1.00 0.00 C ATOM 716 CG ASN A 48 -1.237 -7.240 -14.761 1.00 0.00 C ATOM 717 OD1 ASN A 48 -1.030 -8.088 -15.627 1.00 0.00 O ATOM 718 ND2 ASN A 48 -2.030 -7.467 -13.736 1.00 0.00 N ATOM 0 H ASN A 48 2.014 -7.510 -15.304 1.00 0.00 H new ATOM 0 HA ASN A 48 0.589 -6.403 -16.548 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.437 -5.484 -13.834 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -1.291 -5.178 -15.333 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -2.496 -8.370 -13.642 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.179 -6.740 -13.036 1.00 0.00 H new ATOM 725 N GLU A 49 2.450 -4.266 -16.177 1.00 0.00 N ATOM 726 CA GLU A 49 2.977 -2.966 -16.563 1.00 0.00 C ATOM 727 C GLU A 49 3.026 -2.882 -18.058 1.00 0.00 C ATOM 728 O GLU A 49 3.331 -3.869 -18.706 1.00 0.00 O ATOM 729 CB GLU A 49 4.378 -2.761 -15.995 1.00 0.00 C ATOM 730 CG GLU A 49 4.421 -2.616 -14.490 1.00 0.00 C ATOM 731 CD GLU A 49 3.709 -1.373 -14.021 1.00 0.00 C ATOM 732 OE1 GLU A 49 4.042 -0.273 -14.510 1.00 0.00 O ATOM 733 OE2 GLU A 49 2.803 -1.477 -13.166 1.00 0.00 O ATOM 0 H GLU A 49 3.154 -5.001 -16.102 1.00 0.00 H new ATOM 0 HA GLU A 49 2.326 -2.188 -16.164 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.003 -3.605 -16.286 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.815 -1.871 -16.447 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.964 -3.491 -14.028 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.459 -2.586 -14.158 1.00 0.00 H new ATOM 740 N ILE A 50 2.734 -1.710 -18.615 1.00 0.00 N ATOM 741 CA ILE A 50 2.686 -1.569 -20.061 1.00 0.00 C ATOM 742 C ILE A 50 4.071 -1.798 -20.664 1.00 0.00 C ATOM 743 O ILE A 50 5.045 -1.088 -20.350 1.00 0.00 O ATOM 744 CB ILE A 50 2.106 -0.191 -20.531 1.00 0.00 C ATOM 745 CG1 ILE A 50 0.598 -0.050 -20.213 1.00 0.00 C ATOM 746 CG2 ILE A 50 2.347 0.030 -22.022 1.00 0.00 C ATOM 747 CD1 ILE A 50 0.257 0.138 -18.750 1.00 0.00 C ATOM 0 H ILE A 50 2.530 -0.857 -18.093 1.00 0.00 H new ATOM 0 HA ILE A 50 1.998 -2.333 -20.424 1.00 0.00 H new ATOM 0 HB ILE A 50 2.638 0.576 -19.969 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.204 0.799 -20.772 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.083 -0.939 -20.577 1.00 0.00 H new ATOM 0 HG21 ILE A 50 1.934 0.994 -22.318 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.418 0.017 -22.223 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.862 -0.763 -22.591 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.823 0.226 -18.637 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.613 -0.720 -18.180 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.736 1.044 -18.378 1.00 0.00 H new ATOM 759 N LEU A 51 4.144 -2.785 -21.522 1.00 0.00 N ATOM 760 CA LEU A 51 5.382 -3.215 -22.114 1.00 0.00 C ATOM 761 C LEU A 51 5.345 -3.014 -23.615 1.00 0.00 C ATOM 762 O LEU A 51 4.401 -3.436 -24.284 1.00 0.00 O ATOM 763 CB LEU A 51 5.630 -4.696 -21.787 1.00 0.00 C ATOM 764 CG LEU A 51 6.847 -5.345 -22.452 1.00 0.00 C ATOM 765 CD1 LEU A 51 8.138 -4.729 -21.945 1.00 0.00 C ATOM 766 CD2 LEU A 51 6.846 -6.843 -22.216 1.00 0.00 C ATOM 0 H LEU A 51 3.332 -3.319 -21.832 1.00 0.00 H new ATOM 0 HA LEU A 51 6.195 -2.617 -21.702 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.738 -4.794 -20.707 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.743 -5.262 -22.071 1.00 0.00 H new ATOM 0 HG LEU A 51 6.783 -5.162 -23.525 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.986 -5.208 -22.434 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.145 -3.662 -22.170 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.211 -4.873 -20.867 1.00 0.00 H new ATOM 0 HD21 LEU A 51 7.718 -7.287 -22.696 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.880 -7.043 -21.145 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.939 -7.277 -22.637 1.00 0.00 H new ATOM 778 N LEU A 52 6.363 -2.372 -24.138 1.00 0.00 N ATOM 779 CA LEU A 52 6.474 -2.177 -25.571 1.00 0.00 C ATOM 780 C LEU A 52 7.403 -3.232 -26.149 1.00 0.00 C ATOM 781 O LEU A 52 8.335 -3.673 -25.476 1.00 0.00 O ATOM 782 CB LEU A 52 6.975 -0.767 -25.922 1.00 0.00 C ATOM 783 CG LEU A 52 6.087 0.431 -25.535 1.00 0.00 C ATOM 784 CD1 LEU A 52 4.668 0.270 -26.053 1.00 0.00 C ATOM 785 CD2 LEU A 52 6.106 0.689 -24.035 1.00 0.00 C ATOM 0 H LEU A 52 7.129 -1.974 -23.595 1.00 0.00 H new ATOM 0 HA LEU A 52 5.481 -2.279 -26.009 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.947 -0.630 -25.448 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.138 -0.728 -26.999 1.00 0.00 H new ATOM 0 HG LEU A 52 6.512 1.310 -26.019 1.00 0.00 H new ATOM 0 HD11 LEU A 52 4.073 1.135 -25.760 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.684 0.193 -27.140 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.227 -0.633 -25.632 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.467 1.542 -23.804 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.738 -0.192 -23.510 1.00 0.00 H new ATOM 0 HD23 LEU A 52 7.126 0.903 -23.715 1.00 0.00 H new ATOM 797 N GLU A 53 7.151 -3.624 -27.380 1.00 0.00 N ATOM 798 CA GLU A 53 7.908 -4.691 -28.038 1.00 0.00 C ATOM 799 C GLU A 53 9.372 -4.298 -28.262 1.00 0.00 C ATOM 800 O GLU A 53 10.276 -5.124 -28.126 1.00 0.00 O ATOM 801 CB GLU A 53 7.217 -5.092 -29.347 1.00 0.00 C ATOM 802 CG GLU A 53 5.883 -5.797 -29.117 1.00 0.00 C ATOM 803 CD GLU A 53 5.115 -6.095 -30.385 1.00 0.00 C ATOM 804 OE1 GLU A 53 5.605 -6.876 -31.232 1.00 0.00 O ATOM 805 OE2 GLU A 53 4.001 -5.547 -30.545 1.00 0.00 O ATOM 0 H GLU A 53 6.417 -3.218 -27.961 1.00 0.00 H new ATOM 0 HA GLU A 53 7.922 -5.558 -27.378 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.053 -4.202 -29.954 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.877 -5.748 -29.915 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.065 -6.732 -28.587 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.264 -5.178 -28.467 1.00 0.00 H new ATOM 812 N ASN A 54 9.600 -3.032 -28.588 1.00 0.00 N ATOM 813 CA ASN A 54 10.959 -2.512 -28.792 1.00 0.00 C ATOM 814 C ASN A 54 11.745 -2.471 -27.479 1.00 0.00 C ATOM 815 O ASN A 54 12.971 -2.418 -27.479 1.00 0.00 O ATOM 816 CB ASN A 54 10.937 -1.104 -29.408 1.00 0.00 C ATOM 817 CG ASN A 54 10.621 -1.088 -30.894 1.00 0.00 C ATOM 818 OD1 ASN A 54 9.905 -1.946 -31.406 1.00 0.00 O ATOM 819 ND2 ASN A 54 11.168 -0.124 -31.605 1.00 0.00 N ATOM 0 H ASN A 54 8.863 -2.339 -28.719 1.00 0.00 H new ATOM 0 HA ASN A 54 11.453 -3.195 -29.483 1.00 0.00 H new ATOM 0 HB2 ASN A 54 10.198 -0.500 -28.883 1.00 0.00 H new ATOM 0 HB3 ASN A 54 11.907 -0.632 -29.247 1.00 0.00 H new ATOM 0 HD21 ASN A 54 11.002 -0.075 -32.610 1.00 0.00 H new ATOM 0 HD22 ASN A 54 11.758 0.573 -31.151 1.00 0.00 H new ATOM 826 N GLN A 55 11.030 -2.496 -26.368 1.00 0.00 N ATOM 827 CA GLN A 55 11.625 -2.380 -25.034 1.00 0.00 C ATOM 828 C GLN A 55 12.295 -3.676 -24.545 1.00 0.00 C ATOM 829 O GLN A 55 12.888 -3.695 -23.472 1.00 0.00 O ATOM 830 CB GLN A 55 10.615 -1.860 -24.002 1.00 0.00 C ATOM 831 CG GLN A 55 10.129 -0.420 -24.224 1.00 0.00 C ATOM 832 CD GLN A 55 11.222 0.640 -24.085 1.00 0.00 C ATOM 833 OE1 GLN A 55 12.394 0.400 -24.358 1.00 0.00 O ATOM 834 NE2 GLN A 55 10.845 1.816 -23.647 1.00 0.00 N ATOM 0 H GLN A 55 10.015 -2.598 -26.358 1.00 0.00 H new ATOM 0 HA GLN A 55 12.421 -1.642 -25.135 1.00 0.00 H new ATOM 0 HB2 GLN A 55 9.749 -2.522 -24.001 1.00 0.00 H new ATOM 0 HB3 GLN A 55 11.067 -1.925 -23.012 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.691 -0.346 -25.220 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.335 -0.202 -23.510 1.00 0.00 H new ATOM 0 HE21 GLN A 55 9.864 1.988 -23.428 1.00 0.00 H new ATOM 0 HE22 GLN A 55 11.533 2.559 -23.525 1.00 0.00 H new ATOM 843 N LEU A 56 12.150 -4.761 -25.291 1.00 0.00 N ATOM 844 CA LEU A 56 12.797 -6.018 -24.900 1.00 0.00 C ATOM 845 C LEU A 56 14.312 -5.879 -25.063 1.00 0.00 C ATOM 846 O LEU A 56 14.785 -5.428 -26.108 1.00 0.00 O ATOM 847 CB LEU A 56 12.295 -7.172 -25.779 1.00 0.00 C ATOM 848 CG LEU A 56 10.792 -7.463 -25.743 1.00 0.00 C ATOM 849 CD1 LEU A 56 10.450 -8.586 -26.705 1.00 0.00 C ATOM 850 CD2 LEU A 56 10.336 -7.807 -24.333 1.00 0.00 C ATOM 0 H LEU A 56 11.605 -4.805 -26.152 1.00 0.00 H new ATOM 0 HA LEU A 56 12.553 -6.234 -23.860 1.00 0.00 H new ATOM 0 HB2 LEU A 56 12.576 -6.960 -26.811 1.00 0.00 H new ATOM 0 HB3 LEU A 56 12.824 -8.078 -25.485 1.00 0.00 H new ATOM 0 HG LEU A 56 10.263 -6.563 -26.056 1.00 0.00 H new ATOM 0 HD11 LEU A 56 9.378 -8.782 -26.669 1.00 0.00 H new ATOM 0 HD12 LEU A 56 10.732 -8.296 -27.717 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.994 -9.487 -26.421 1.00 0.00 H new ATOM 0 HD21 LEU A 56 9.265 -8.009 -24.336 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.871 -8.690 -23.983 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.545 -6.969 -23.668 1.00 0.00 H new ATOM 862 N PHE A 57 15.066 -6.272 -24.044 1.00 0.00 N ATOM 863 CA PHE A 57 16.514 -6.082 -24.054 1.00 0.00 C ATOM 864 C PHE A 57 17.273 -7.374 -23.736 1.00 0.00 C ATOM 865 O PHE A 57 16.980 -8.045 -22.756 1.00 0.00 O ATOM 866 CB PHE A 57 16.928 -5.019 -23.011 1.00 0.00 C ATOM 867 CG PHE A 57 16.286 -3.666 -23.173 1.00 0.00 C ATOM 868 CD1 PHE A 57 16.271 -3.026 -24.404 1.00 0.00 C ATOM 869 CD2 PHE A 57 15.699 -3.034 -22.090 1.00 0.00 C ATOM 870 CE1 PHE A 57 15.688 -1.785 -24.554 1.00 0.00 C ATOM 871 CE2 PHE A 57 15.115 -1.792 -22.234 1.00 0.00 C ATOM 872 CZ PHE A 57 15.110 -1.167 -23.467 1.00 0.00 C ATOM 0 H PHE A 57 14.703 -6.722 -23.204 1.00 0.00 H new ATOM 0 HA PHE A 57 16.773 -5.758 -25.062 1.00 0.00 H new ATOM 0 HB2 PHE A 57 16.689 -5.398 -22.017 1.00 0.00 H new ATOM 0 HB3 PHE A 57 18.010 -4.896 -23.054 1.00 0.00 H new ATOM 0 HD1 PHE A 57 16.723 -3.507 -25.259 1.00 0.00 H new ATOM 0 HD2 PHE A 57 15.698 -3.517 -21.124 1.00 0.00 H new ATOM 0 HE1 PHE A 57 15.685 -1.300 -25.519 1.00 0.00 H new ATOM 0 HE2 PHE A 57 14.661 -1.308 -21.382 1.00 0.00 H new ATOM 0 HZ PHE A 57 14.653 -0.195 -23.578 1.00 0.00 H new ATOM 882 N PRO A 58 18.247 -7.743 -24.569 1.00 0.00 N ATOM 883 CA PRO A 58 19.237 -8.775 -24.221 1.00 0.00 C ATOM 884 C PRO A 58 20.262 -8.215 -23.204 1.00 0.00 C ATOM 885 O PRO A 58 20.326 -6.997 -22.998 1.00 0.00 O ATOM 886 CB PRO A 58 19.907 -9.071 -25.567 1.00 0.00 C ATOM 887 CG PRO A 58 19.801 -7.793 -26.316 1.00 0.00 C ATOM 888 CD PRO A 58 18.475 -7.197 -25.922 1.00 0.00 C ATOM 0 HA PRO A 58 18.803 -9.660 -23.755 1.00 0.00 H new ATOM 0 HB2 PRO A 58 20.947 -9.371 -25.437 1.00 0.00 H new ATOM 0 HB3 PRO A 58 19.404 -9.883 -26.092 1.00 0.00 H new ATOM 0 HG2 PRO A 58 20.622 -7.122 -26.063 1.00 0.00 H new ATOM 0 HG3 PRO A 58 19.849 -7.965 -27.391 1.00 0.00 H new ATOM 0 HD2 PRO A 58 18.509 -6.108 -25.916 1.00 0.00 H new ATOM 0 HD3 PRO A 58 17.682 -7.487 -26.612 1.00 0.00 H new ATOM 896 N ASP A 59 21.045 -9.090 -22.565 1.00 0.00 N ATOM 897 CA ASP A 59 22.053 -8.647 -21.566 1.00 0.00 C ATOM 898 C ASP A 59 23.065 -7.718 -22.214 1.00 0.00 C ATOM 899 O ASP A 59 23.465 -6.701 -21.644 1.00 0.00 O ATOM 900 CB ASP A 59 22.816 -9.843 -20.972 1.00 0.00 C ATOM 901 CG ASP A 59 22.126 -10.520 -19.807 1.00 0.00 C ATOM 902 OD1 ASP A 59 22.069 -9.933 -18.702 1.00 0.00 O ATOM 903 OD2 ASP A 59 21.670 -11.675 -19.968 1.00 0.00 O ATOM 0 H ASP A 59 21.010 -10.099 -22.711 1.00 0.00 H new ATOM 0 HA ASP A 59 21.513 -8.130 -20.772 1.00 0.00 H new ATOM 0 HB2 ASP A 59 22.978 -10.580 -21.759 1.00 0.00 H new ATOM 0 HB3 ASP A 59 23.799 -9.503 -20.646 1.00 0.00 H new ATOM 908 N ASN A 60 23.477 -8.074 -23.393 1.00 0.00 N ATOM 909 CA ASN A 60 24.377 -7.272 -24.176 1.00 0.00 C ATOM 910 C ASN A 60 23.770 -7.095 -25.536 1.00 0.00 C ATOM 911 O ASN A 60 23.224 -8.047 -26.105 1.00 0.00 O ATOM 912 CB ASN A 60 25.737 -7.968 -24.324 1.00 0.00 C ATOM 913 CG ASN A 60 26.770 -7.069 -24.980 1.00 0.00 C ATOM 914 OD1 ASN A 60 26.890 -7.030 -26.207 1.00 0.00 O ATOM 915 ND2 ASN A 60 27.521 -6.345 -24.172 1.00 0.00 N ATOM 0 H ASN A 60 23.195 -8.942 -23.848 1.00 0.00 H new ATOM 0 HA ASN A 60 24.533 -6.312 -23.683 1.00 0.00 H new ATOM 0 HB2 ASN A 60 26.096 -8.275 -23.341 1.00 0.00 H new ATOM 0 HB3 ASN A 60 25.617 -8.875 -24.917 1.00 0.00 H new ATOM 0 HD21 ASN A 60 28.233 -5.724 -24.557 1.00 0.00 H new ATOM 0 HD22 ASN A 60 27.390 -6.406 -23.162 1.00 0.00 H new ATOM 922 N PHE A 61 23.848 -5.913 -26.070 1.00 0.00 N ATOM 923 CA PHE A 61 23.303 -5.688 -27.375 1.00 0.00 C ATOM 924 C PHE A 61 24.362 -6.003 -28.409 1.00 0.00 C ATOM 925 O PHE A 61 25.316 -5.241 -28.609 1.00 0.00 O ATOM 926 CB PHE A 61 22.806 -4.251 -27.516 1.00 0.00 C ATOM 927 CG PHE A 61 21.724 -3.895 -26.534 1.00 0.00 C ATOM 928 CD1 PHE A 61 20.403 -4.185 -26.808 1.00 0.00 C ATOM 929 CD2 PHE A 61 22.027 -3.273 -25.337 1.00 0.00 C ATOM 930 CE1 PHE A 61 19.411 -3.859 -25.912 1.00 0.00 C ATOM 931 CE2 PHE A 61 21.038 -2.945 -24.439 1.00 0.00 C ATOM 932 CZ PHE A 61 19.730 -3.237 -24.727 1.00 0.00 C ATOM 0 H PHE A 61 24.278 -5.099 -25.630 1.00 0.00 H new ATOM 0 HA PHE A 61 22.445 -6.342 -27.529 1.00 0.00 H new ATOM 0 HB2 PHE A 61 23.646 -3.569 -27.383 1.00 0.00 H new ATOM 0 HB3 PHE A 61 22.431 -4.102 -28.529 1.00 0.00 H new ATOM 0 HD1 PHE A 61 20.145 -4.673 -27.736 1.00 0.00 H new ATOM 0 HD2 PHE A 61 23.056 -3.041 -25.104 1.00 0.00 H new ATOM 0 HE1 PHE A 61 18.381 -4.092 -26.139 1.00 0.00 H new ATOM 0 HE2 PHE A 61 21.292 -2.458 -23.509 1.00 0.00 H new ATOM 0 HZ PHE A 61 18.951 -2.979 -24.025 1.00 0.00 H new ATOM 942 N ALA A 62 24.207 -7.150 -29.042 1.00 0.00 N ATOM 943 CA ALA A 62 25.136 -7.594 -30.044 1.00 0.00 C ATOM 944 C ALA A 62 24.751 -7.011 -31.386 1.00 0.00 C ATOM 945 O ALA A 62 23.646 -7.255 -31.890 1.00 0.00 O ATOM 946 CB ALA A 62 25.180 -9.115 -30.096 1.00 0.00 C ATOM 0 H ALA A 62 23.434 -7.793 -28.872 1.00 0.00 H new ATOM 0 HA ALA A 62 26.136 -7.245 -29.787 1.00 0.00 H new ATOM 0 HB1 ALA A 62 25.889 -9.433 -30.861 1.00 0.00 H new ATOM 0 HB2 ALA A 62 25.493 -9.503 -29.127 1.00 0.00 H new ATOM 0 HB3 ALA A 62 24.189 -9.500 -30.338 1.00 0.00 H new ATOM 952 N LYS A 63 25.652 -6.234 -31.944 1.00 0.00 N ATOM 953 CA LYS A 63 25.413 -5.536 -33.181 1.00 0.00 C ATOM 954 C LYS A 63 25.597 -6.477 -34.357 1.00 0.00 C ATOM 955 O LYS A 63 26.757 -6.717 -34.765 1.00 0.00 O ATOM 956 CB LYS A 63 26.367 -4.353 -33.283 1.00 0.00 C ATOM 957 CG LYS A 63 26.162 -3.457 -34.485 1.00 0.00 C ATOM 958 CD LYS A 63 27.147 -2.307 -34.430 1.00 0.00 C ATOM 959 CE LYS A 63 26.990 -1.358 -35.594 1.00 0.00 C ATOM 960 NZ LYS A 63 27.961 -0.244 -35.505 1.00 0.00 N ATOM 961 OXT LYS A 63 24.590 -6.984 -34.866 1.00 0.00 O ATOM 0 H LYS A 63 26.577 -6.069 -31.547 1.00 0.00 H new ATOM 0 HA LYS A 63 24.387 -5.168 -33.200 1.00 0.00 H new ATOM 0 HB2 LYS A 63 26.269 -3.750 -32.380 1.00 0.00 H new ATOM 0 HB3 LYS A 63 27.389 -4.732 -33.304 1.00 0.00 H new ATOM 0 HG2 LYS A 63 26.301 -4.026 -35.404 1.00 0.00 H new ATOM 0 HG3 LYS A 63 25.141 -3.075 -34.498 1.00 0.00 H new ATOM 0 HD2 LYS A 63 27.010 -1.759 -33.497 1.00 0.00 H new ATOM 0 HD3 LYS A 63 28.163 -2.702 -34.422 1.00 0.00 H new ATOM 0 HE2 LYS A 63 27.135 -1.898 -36.530 1.00 0.00 H new ATOM 0 HE3 LYS A 63 25.975 -0.960 -35.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 27.833 0.394 -36.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 27.805 0.283 -34.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 28.929 -0.625 -35.514 1.00 0.00 H new TER 975 LYS A 63 HETATM 976 ZN ZN A 65 8.925 -18.805 -23.128 1.00 0.00 ZN HETATM 977 ZN ZN A 66 6.743 -5.617 -15.802 1.00 0.00 ZN