USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 451 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 48 THR OG1 : rot 147:sc= 0.0403 USER MOD Set 1.2: A 50 THR OG1 : rot -50:sc= 0.206 USER MOD Set 2.1: A 31 GLN : amide:sc= 0 K(o=-1.8,f=-3.2!) USER MOD Set 2.2: A 33 TYR OH : rot 120:sc= -1.79! USER MOD Set 3.1: A 8 TYR OH : rot 180:sc= 0.0187 USER MOD Set 3.2: A 16 TYR OH : rot -45:sc= -1.97! USER MOD Set 4.1: A 1 ASP N :NH3+ 146:sc= -1.33 (180deg=-0.0324) USER MOD Set 4.2: A 4 MET CE :methyl -135:sc= -3.02 (180deg=-1.59!) USER MOD Set 5.1: A 2 SER OG : rot 110:sc= 0.688 USER MOD Set 5.2: A 51 HIS : no HD1:sc= -5.65! C(o=-5!,f=-8.3!) USER MOD Single : A 6 LYS NZ :NH3+ -164:sc=-0.000599 (180deg=-0.184) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 170:sc= -0.628 USER MOD Single : A 34 ASN : amide:sc= -9.99! C(o=-10!,f=-16!) USER MOD Single : A 35 ASN : amide:sc= -7.5! C(o=-7.5!,f=-21!) USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HE2:sc= 0.913 K(o=0.91,f=-3.1!) USER MOD Single : A 43 ASN : amide:sc= -9.61! C(o=-9.6!,f=-9.3!) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 0.757 -27.182 4.131 1.00 0.00 N ATOM 2 CA ASP A 1 1.874 -26.433 4.774 1.00 0.00 C ATOM 3 C ASP A 1 3.163 -26.666 3.985 1.00 0.00 C ATOM 4 O ASP A 1 3.159 -27.282 2.938 1.00 0.00 O ATOM 5 CB ASP A 1 2.060 -26.926 6.210 1.00 0.00 C ATOM 6 CG ASP A 1 0.819 -26.574 7.034 1.00 0.00 C ATOM 7 OD1 ASP A 1 0.042 -25.752 6.577 1.00 0.00 O ATOM 8 OD2 ASP A 1 0.669 -27.133 8.109 1.00 0.00 O ATOM 0 H1 ASP A 1 0.098 -27.517 4.862 1.00 0.00 H new ATOM 0 H2 ASP A 1 0.253 -26.555 3.471 1.00 0.00 H new ATOM 0 H3 ASP A 1 1.140 -27.997 3.610 1.00 0.00 H new ATOM 0 HA ASP A 1 1.640 -25.369 4.783 1.00 0.00 H new ATOM 0 HB2 ASP A 1 2.221 -28.004 6.218 1.00 0.00 H new ATOM 0 HB3 ASP A 1 2.945 -26.468 6.652 1.00 0.00 H new ATOM 15 N SER A 2 4.266 -26.179 4.481 1.00 0.00 N ATOM 16 CA SER A 2 5.556 -26.372 3.761 1.00 0.00 C ATOM 17 C SER A 2 5.845 -27.867 3.624 1.00 0.00 C ATOM 18 O SER A 2 6.534 -28.295 2.719 1.00 0.00 O ATOM 19 CB SER A 2 6.682 -25.710 4.555 1.00 0.00 C ATOM 20 OG SER A 2 6.638 -24.304 4.357 1.00 0.00 O ATOM 0 H SER A 2 4.330 -25.655 5.354 1.00 0.00 H new ATOM 0 HA SER A 2 5.491 -25.922 2.771 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.579 -25.942 5.615 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.647 -26.103 4.235 1.00 0.00 H new ATOM 0 HG SER A 2 6.349 -23.866 5.185 1.00 0.00 H new ATOM 26 N GLU A 3 5.324 -28.666 4.515 1.00 0.00 N ATOM 27 CA GLU A 3 5.568 -30.132 4.433 1.00 0.00 C ATOM 28 C GLU A 3 5.212 -30.619 3.031 1.00 0.00 C ATOM 29 O GLU A 3 5.734 -31.604 2.551 1.00 0.00 O ATOM 30 CB GLU A 3 4.699 -30.855 5.463 1.00 0.00 C ATOM 31 CG GLU A 3 5.541 -31.185 6.696 1.00 0.00 C ATOM 32 CD GLU A 3 4.658 -31.850 7.754 1.00 0.00 C ATOM 33 OE1 GLU A 3 3.650 -32.427 7.379 1.00 0.00 O ATOM 34 OE2 GLU A 3 5.005 -31.771 8.921 1.00 0.00 O ATOM 0 H GLU A 3 4.740 -28.366 5.296 1.00 0.00 H new ATOM 0 HA GLU A 3 6.617 -30.342 4.640 1.00 0.00 H new ATOM 0 HB2 GLU A 3 3.852 -30.229 5.744 1.00 0.00 H new ATOM 0 HB3 GLU A 3 4.290 -31.769 5.033 1.00 0.00 H new ATOM 0 HG2 GLU A 3 6.361 -31.849 6.422 1.00 0.00 H new ATOM 0 HG3 GLU A 3 5.987 -30.276 7.099 1.00 0.00 H new ATOM 41 N MET A 4 4.328 -29.926 2.368 1.00 0.00 N ATOM 42 CA MET A 4 3.943 -30.339 0.991 1.00 0.00 C ATOM 43 C MET A 4 5.057 -29.936 0.027 1.00 0.00 C ATOM 44 O MET A 4 5.262 -30.555 -0.999 1.00 0.00 O ATOM 45 CB MET A 4 2.643 -29.638 0.590 1.00 0.00 C ATOM 46 CG MET A 4 1.536 -30.009 1.578 1.00 0.00 C ATOM 47 SD MET A 4 -0.030 -29.293 1.024 1.00 0.00 S ATOM 48 CE MET A 4 0.473 -27.556 1.106 1.00 0.00 C ATOM 0 H MET A 4 3.857 -29.093 2.720 1.00 0.00 H new ATOM 0 HA MET A 4 3.793 -31.418 0.956 1.00 0.00 H new ATOM 0 HB2 MET A 4 2.788 -28.558 0.580 1.00 0.00 H new ATOM 0 HB3 MET A 4 2.356 -29.931 -0.420 1.00 0.00 H new ATOM 0 HG2 MET A 4 1.447 -31.093 1.651 1.00 0.00 H new ATOM 0 HG3 MET A 4 1.784 -29.642 2.574 1.00 0.00 H new ATOM 0 HE1 MET A 4 -0.314 -26.972 1.583 1.00 0.00 H new ATOM 0 HE2 MET A 4 1.392 -27.470 1.687 1.00 0.00 H new ATOM 0 HE3 MET A 4 0.645 -27.179 0.098 1.00 0.00 H new ATOM 58 N CYS A 5 5.782 -28.903 0.356 1.00 0.00 N ATOM 59 CA CYS A 5 6.890 -28.454 -0.530 1.00 0.00 C ATOM 60 C CYS A 5 8.118 -29.332 -0.283 1.00 0.00 C ATOM 61 O CYS A 5 9.093 -29.275 -1.006 1.00 0.00 O ATOM 62 CB CYS A 5 7.238 -26.994 -0.221 1.00 0.00 C ATOM 63 SG CYS A 5 5.733 -26.082 0.213 1.00 0.00 S ATOM 0 H CYS A 5 5.654 -28.349 1.203 1.00 0.00 H new ATOM 0 HA CYS A 5 6.580 -28.538 -1.572 1.00 0.00 H new ATOM 0 HB2 CYS A 5 7.952 -26.947 0.601 1.00 0.00 H new ATOM 0 HB3 CYS A 5 7.716 -26.534 -1.086 1.00 0.00 H new ATOM 68 N LYS A 6 8.077 -30.150 0.735 1.00 0.00 N ATOM 69 CA LYS A 6 9.241 -31.035 1.026 1.00 0.00 C ATOM 70 C LYS A 6 9.200 -32.259 0.107 1.00 0.00 C ATOM 71 O LYS A 6 9.954 -33.196 0.276 1.00 0.00 O ATOM 72 CB LYS A 6 9.183 -31.493 2.485 1.00 0.00 C ATOM 73 CG LYS A 6 8.994 -30.281 3.398 1.00 0.00 C ATOM 74 CD LYS A 6 9.313 -30.675 4.841 1.00 0.00 C ATOM 75 CE LYS A 6 9.193 -29.446 5.744 1.00 0.00 C ATOM 76 NZ LYS A 6 10.352 -28.539 5.504 1.00 0.00 N ATOM 0 H LYS A 6 7.289 -30.243 1.376 1.00 0.00 H new ATOM 0 HA LYS A 6 10.165 -30.483 0.853 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.362 -32.196 2.623 1.00 0.00 H new ATOM 0 HB3 LYS A 6 10.101 -32.019 2.748 1.00 0.00 H new ATOM 0 HG2 LYS A 6 9.645 -29.467 3.079 1.00 0.00 H new ATOM 0 HG3 LYS A 6 7.970 -29.915 3.328 1.00 0.00 H new ATOM 0 HD2 LYS A 6 8.628 -31.454 5.176 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.320 -31.088 4.902 1.00 0.00 H new ATOM 0 HE2 LYS A 6 8.259 -28.922 5.541 1.00 0.00 H new ATOM 0 HE3 LYS A 6 9.167 -29.751 6.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 10.425 -27.855 6.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 11.226 -29.100 5.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 10.214 -28.029 4.608 1.00 0.00 H new ATOM 90 N ASP A 7 8.321 -32.266 -0.861 1.00 0.00 N ATOM 91 CA ASP A 7 8.236 -33.438 -1.778 1.00 0.00 C ATOM 92 C ASP A 7 8.501 -32.997 -3.220 1.00 0.00 C ATOM 93 O ASP A 7 8.485 -33.799 -4.133 1.00 0.00 O ATOM 94 CB ASP A 7 6.837 -34.052 -1.687 1.00 0.00 C ATOM 95 CG ASP A 7 5.792 -32.999 -2.064 1.00 0.00 C ATOM 96 OD1 ASP A 7 6.174 -31.990 -2.634 1.00 0.00 O ATOM 97 OD2 ASP A 7 4.627 -33.220 -1.776 1.00 0.00 O ATOM 0 H ASP A 7 7.661 -31.513 -1.055 1.00 0.00 H new ATOM 0 HA ASP A 7 8.984 -34.175 -1.486 1.00 0.00 H new ATOM 0 HB2 ASP A 7 6.761 -34.910 -2.354 1.00 0.00 H new ATOM 0 HB3 ASP A 7 6.653 -34.417 -0.676 1.00 0.00 H new ATOM 102 N TYR A 8 8.744 -31.733 -3.440 1.00 0.00 N ATOM 103 CA TYR A 8 9.006 -31.265 -4.832 1.00 0.00 C ATOM 104 C TYR A 8 10.507 -31.024 -5.020 1.00 0.00 C ATOM 105 O TYR A 8 11.296 -31.209 -4.115 1.00 0.00 O ATOM 106 CB TYR A 8 8.223 -29.967 -5.102 1.00 0.00 C ATOM 107 CG TYR A 8 9.013 -28.765 -4.624 1.00 0.00 C ATOM 108 CD1 TYR A 8 9.976 -28.179 -5.457 1.00 0.00 C ATOM 109 CD2 TYR A 8 8.787 -28.248 -3.347 1.00 0.00 C ATOM 110 CE1 TYR A 8 10.708 -27.074 -5.008 1.00 0.00 C ATOM 111 CE2 TYR A 8 9.521 -27.144 -2.897 1.00 0.00 C ATOM 112 CZ TYR A 8 10.481 -26.557 -3.727 1.00 0.00 C ATOM 113 OH TYR A 8 11.206 -25.470 -3.286 1.00 0.00 O ATOM 0 H TYR A 8 8.772 -31.009 -2.722 1.00 0.00 H new ATOM 0 HA TYR A 8 8.677 -32.028 -5.538 1.00 0.00 H new ATOM 0 HB2 TYR A 8 8.017 -29.874 -6.168 1.00 0.00 H new ATOM 0 HB3 TYR A 8 7.260 -30.003 -4.593 1.00 0.00 H new ATOM 0 HD1 TYR A 8 10.153 -28.580 -6.444 1.00 0.00 H new ATOM 0 HD2 TYR A 8 8.045 -28.700 -2.706 1.00 0.00 H new ATOM 0 HE1 TYR A 8 11.448 -26.620 -5.650 1.00 0.00 H new ATOM 0 HE2 TYR A 8 9.346 -26.746 -1.909 1.00 0.00 H new ATOM 0 HH TYR A 8 10.925 -25.237 -2.377 1.00 0.00 H new ATOM 123 N ARG A 9 10.898 -30.602 -6.189 1.00 0.00 N ATOM 124 CA ARG A 9 12.341 -30.334 -6.448 1.00 0.00 C ATOM 125 C ARG A 9 12.474 -29.459 -7.694 1.00 0.00 C ATOM 126 O ARG A 9 11.758 -29.624 -8.662 1.00 0.00 O ATOM 127 CB ARG A 9 13.077 -31.656 -6.671 1.00 0.00 C ATOM 128 CG ARG A 9 13.233 -32.375 -5.331 1.00 0.00 C ATOM 129 CD ARG A 9 14.275 -33.487 -5.463 1.00 0.00 C ATOM 130 NE ARG A 9 14.184 -34.391 -4.281 1.00 0.00 N ATOM 131 CZ ARG A 9 14.372 -35.674 -4.425 1.00 0.00 C ATOM 132 NH1 ARG A 9 13.689 -36.337 -5.320 1.00 0.00 N ATOM 133 NH2 ARG A 9 15.240 -36.295 -3.675 1.00 0.00 N ATOM 0 H ARG A 9 10.278 -30.430 -6.980 1.00 0.00 H new ATOM 0 HA ARG A 9 12.776 -29.820 -5.591 1.00 0.00 H new ATOM 0 HB2 ARG A 9 12.523 -32.281 -7.371 1.00 0.00 H new ATOM 0 HB3 ARG A 9 14.055 -31.471 -7.115 1.00 0.00 H new ATOM 0 HG2 ARG A 9 13.538 -31.667 -4.560 1.00 0.00 H new ATOM 0 HG3 ARG A 9 12.277 -32.794 -5.018 1.00 0.00 H new ATOM 0 HD2 ARG A 9 14.107 -34.051 -6.380 1.00 0.00 H new ATOM 0 HD3 ARG A 9 15.275 -33.058 -5.531 1.00 0.00 H new ATOM 0 HE ARG A 9 13.975 -34.006 -3.360 1.00 0.00 H new ATOM 0 HH11 ARG A 9 13.009 -35.852 -5.906 1.00 0.00 H new ATOM 0 HH12 ARG A 9 13.835 -37.340 -5.433 1.00 0.00 H new ATOM 0 HH21 ARG A 9 15.772 -35.778 -2.975 1.00 0.00 H new ATOM 0 HH22 ARG A 9 15.386 -37.298 -3.788 1.00 0.00 H new ATOM 147 N VAL A 10 13.384 -28.525 -7.678 1.00 0.00 N ATOM 148 CA VAL A 10 13.557 -27.638 -8.862 1.00 0.00 C ATOM 149 C VAL A 10 14.959 -27.824 -9.447 1.00 0.00 C ATOM 150 O VAL A 10 15.931 -27.955 -8.729 1.00 0.00 O ATOM 151 CB VAL A 10 13.370 -26.178 -8.441 1.00 0.00 C ATOM 152 CG1 VAL A 10 13.510 -25.273 -9.667 1.00 0.00 C ATOM 153 CG2 VAL A 10 11.977 -25.995 -7.834 1.00 0.00 C ATOM 0 H VAL A 10 14.014 -28.338 -6.898 1.00 0.00 H new ATOM 0 HA VAL A 10 12.814 -27.897 -9.616 1.00 0.00 H new ATOM 0 HB VAL A 10 14.127 -25.914 -7.702 1.00 0.00 H new ATOM 0 HG11 VAL A 10 13.377 -24.233 -9.369 1.00 0.00 H new ATOM 0 HG12 VAL A 10 14.501 -25.402 -10.103 1.00 0.00 H new ATOM 0 HG13 VAL A 10 12.752 -25.539 -10.404 1.00 0.00 H new ATOM 0 HG21 VAL A 10 11.844 -24.955 -7.534 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.221 -26.259 -8.573 1.00 0.00 H new ATOM 0 HG23 VAL A 10 11.873 -26.640 -6.962 1.00 0.00 H new ATOM 163 N LEU A 11 15.068 -27.834 -10.748 1.00 0.00 N ATOM 164 CA LEU A 11 16.403 -28.010 -11.388 1.00 0.00 C ATOM 165 C LEU A 11 16.624 -26.887 -12.406 1.00 0.00 C ATOM 166 O LEU A 11 15.747 -26.081 -12.649 1.00 0.00 O ATOM 167 CB LEU A 11 16.449 -29.365 -12.101 1.00 0.00 C ATOM 168 CG LEU A 11 17.382 -30.308 -11.338 1.00 0.00 C ATOM 169 CD1 LEU A 11 16.549 -31.313 -10.539 1.00 0.00 C ATOM 170 CD2 LEU A 11 18.272 -31.061 -12.329 1.00 0.00 C ATOM 0 H LEU A 11 14.288 -27.728 -11.397 1.00 0.00 H new ATOM 0 HA LEU A 11 17.184 -27.974 -10.629 1.00 0.00 H new ATOM 0 HB2 LEU A 11 15.448 -29.793 -12.158 1.00 0.00 H new ATOM 0 HB3 LEU A 11 16.800 -29.238 -13.125 1.00 0.00 H new ATOM 0 HG LEU A 11 18.006 -29.728 -10.658 1.00 0.00 H new ATOM 0 HD11 LEU A 11 17.213 -31.985 -9.995 1.00 0.00 H new ATOM 0 HD12 LEU A 11 15.915 -30.779 -9.832 1.00 0.00 H new ATOM 0 HD13 LEU A 11 15.925 -31.892 -11.220 1.00 0.00 H new ATOM 0 HD21 LEU A 11 18.936 -31.732 -11.784 1.00 0.00 H new ATOM 0 HD22 LEU A 11 17.649 -31.641 -13.010 1.00 0.00 H new ATOM 0 HD23 LEU A 11 18.866 -30.347 -12.900 1.00 0.00 H new ATOM 182 N PRO A 12 17.818 -26.838 -13.015 1.00 0.00 N ATOM 183 CA PRO A 12 18.155 -25.814 -14.013 1.00 0.00 C ATOM 184 C PRO A 12 17.331 -25.979 -15.293 1.00 0.00 C ATOM 185 O PRO A 12 17.152 -25.049 -16.054 1.00 0.00 O ATOM 186 CB PRO A 12 19.634 -26.068 -14.301 1.00 0.00 C ATOM 187 CG PRO A 12 19.839 -27.502 -13.953 1.00 0.00 C ATOM 188 CD PRO A 12 18.934 -27.771 -12.785 1.00 0.00 C ATOM 0 HA PRO A 12 17.947 -24.806 -13.655 1.00 0.00 H new ATOM 0 HB2 PRO A 12 19.874 -25.875 -15.347 1.00 0.00 H new ATOM 0 HB3 PRO A 12 20.273 -25.419 -13.702 1.00 0.00 H new ATOM 0 HG2 PRO A 12 19.593 -28.148 -14.796 1.00 0.00 H new ATOM 0 HG3 PRO A 12 20.880 -27.697 -13.695 1.00 0.00 H new ATOM 0 HD2 PRO A 12 18.597 -28.807 -12.765 1.00 0.00 H new ATOM 0 HD3 PRO A 12 19.432 -27.579 -11.835 1.00 0.00 H new ATOM 196 N ARG A 13 16.826 -27.158 -15.534 1.00 0.00 N ATOM 197 CA ARG A 13 16.012 -27.384 -16.760 1.00 0.00 C ATOM 198 C ARG A 13 14.617 -27.872 -16.362 1.00 0.00 C ATOM 199 O ARG A 13 13.710 -27.915 -17.169 1.00 0.00 O ATOM 200 CB ARG A 13 16.690 -28.439 -17.636 1.00 0.00 C ATOM 201 CG ARG A 13 18.049 -27.915 -18.103 1.00 0.00 C ATOM 202 CD ARG A 13 17.848 -26.648 -18.936 1.00 0.00 C ATOM 203 NE ARG A 13 19.156 -26.218 -19.506 1.00 0.00 N ATOM 204 CZ ARG A 13 19.509 -26.610 -20.700 1.00 0.00 C ATOM 205 NH1 ARG A 13 20.561 -27.366 -20.853 1.00 0.00 N ATOM 206 NH2 ARG A 13 18.809 -26.246 -21.740 1.00 0.00 N ATOM 0 H ARG A 13 16.943 -27.975 -14.934 1.00 0.00 H new ATOM 0 HA ARG A 13 15.926 -26.451 -17.317 1.00 0.00 H new ATOM 0 HB2 ARG A 13 16.818 -29.365 -17.076 1.00 0.00 H new ATOM 0 HB3 ARG A 13 16.062 -28.671 -18.496 1.00 0.00 H new ATOM 0 HG2 ARG A 13 18.683 -27.701 -17.243 1.00 0.00 H new ATOM 0 HG3 ARG A 13 18.560 -28.675 -18.694 1.00 0.00 H new ATOM 0 HD2 ARG A 13 17.134 -26.836 -19.738 1.00 0.00 H new ATOM 0 HD3 ARG A 13 17.430 -25.855 -18.316 1.00 0.00 H new ATOM 0 HE ARG A 13 19.776 -25.617 -18.963 1.00 0.00 H new ATOM 0 HH11 ARG A 13 21.107 -27.650 -20.040 1.00 0.00 H new ATOM 0 HH12 ARG A 13 20.837 -27.673 -21.786 1.00 0.00 H new ATOM 0 HH21 ARG A 13 17.986 -25.655 -21.620 1.00 0.00 H new ATOM 0 HH22 ARG A 13 19.085 -26.552 -22.673 1.00 0.00 H new ATOM 220 N ILE A 14 14.438 -28.240 -15.122 1.00 0.00 N ATOM 221 CA ILE A 14 13.101 -28.724 -14.675 1.00 0.00 C ATOM 222 C ILE A 14 12.245 -27.530 -14.248 1.00 0.00 C ATOM 223 O ILE A 14 11.121 -27.375 -14.681 1.00 0.00 O ATOM 224 CB ILE A 14 13.274 -29.676 -13.490 1.00 0.00 C ATOM 225 CG1 ILE A 14 14.132 -30.869 -13.915 1.00 0.00 C ATOM 226 CG2 ILE A 14 11.902 -30.173 -13.027 1.00 0.00 C ATOM 227 CD1 ILE A 14 13.561 -31.475 -15.199 1.00 0.00 C ATOM 0 H ILE A 14 15.159 -28.226 -14.400 1.00 0.00 H new ATOM 0 HA ILE A 14 12.611 -29.249 -15.495 1.00 0.00 H new ATOM 0 HB ILE A 14 13.764 -29.149 -12.671 1.00 0.00 H new ATOM 0 HG12 ILE A 14 15.162 -30.551 -14.077 1.00 0.00 H new ATOM 0 HG13 ILE A 14 14.150 -31.618 -13.123 1.00 0.00 H new ATOM 0 HG21 ILE A 14 12.027 -30.851 -12.183 1.00 0.00 H new ATOM 0 HG22 ILE A 14 11.291 -29.323 -12.723 1.00 0.00 H new ATOM 0 HG23 ILE A 14 11.410 -30.699 -13.845 1.00 0.00 H new ATOM 0 HD11 ILE A 14 14.172 -32.325 -15.503 1.00 0.00 H new ATOM 0 HD12 ILE A 14 12.538 -31.808 -15.021 1.00 0.00 H new ATOM 0 HD13 ILE A 14 13.566 -30.724 -15.989 1.00 0.00 H new ATOM 239 N GLY A 15 12.769 -26.684 -13.404 1.00 0.00 N ATOM 240 CA GLY A 15 11.984 -25.502 -12.952 1.00 0.00 C ATOM 241 C GLY A 15 11.074 -25.909 -11.792 1.00 0.00 C ATOM 242 O GLY A 15 11.192 -26.990 -11.246 1.00 0.00 O ATOM 0 H GLY A 15 13.706 -26.761 -13.008 1.00 0.00 H new ATOM 0 HA2 GLY A 15 12.656 -24.704 -12.638 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.388 -25.111 -13.776 1.00 0.00 H new ATOM 246 N TYR A 16 10.164 -25.055 -11.410 1.00 0.00 N ATOM 247 CA TYR A 16 9.246 -25.397 -10.288 1.00 0.00 C ATOM 248 C TYR A 16 8.082 -26.237 -10.817 1.00 0.00 C ATOM 249 O TYR A 16 7.666 -26.095 -11.949 1.00 0.00 O ATOM 250 CB TYR A 16 8.704 -24.109 -9.662 1.00 0.00 C ATOM 251 CG TYR A 16 8.610 -24.281 -8.165 1.00 0.00 C ATOM 252 CD1 TYR A 16 9.707 -23.961 -7.355 1.00 0.00 C ATOM 253 CD2 TYR A 16 7.428 -24.760 -7.588 1.00 0.00 C ATOM 254 CE1 TYR A 16 9.620 -24.121 -5.967 1.00 0.00 C ATOM 255 CE2 TYR A 16 7.342 -24.920 -6.200 1.00 0.00 C ATOM 256 CZ TYR A 16 8.438 -24.600 -5.390 1.00 0.00 C ATOM 257 OH TYR A 16 8.355 -24.757 -4.021 1.00 0.00 O ATOM 0 H TYR A 16 10.017 -24.136 -11.827 1.00 0.00 H new ATOM 0 HA TYR A 16 9.790 -25.966 -9.535 1.00 0.00 H new ATOM 0 HB2 TYR A 16 9.358 -23.271 -9.903 1.00 0.00 H new ATOM 0 HB3 TYR A 16 7.723 -23.876 -10.075 1.00 0.00 H new ATOM 0 HD1 TYR A 16 10.619 -23.591 -7.801 1.00 0.00 H new ATOM 0 HD2 TYR A 16 6.583 -25.006 -8.214 1.00 0.00 H new ATOM 0 HE1 TYR A 16 10.465 -23.875 -5.341 1.00 0.00 H new ATOM 0 HE2 TYR A 16 6.431 -25.290 -5.754 1.00 0.00 H new ATOM 0 HH TYR A 16 9.170 -25.191 -3.691 1.00 0.00 H new ATOM 267 N LEU A 17 7.555 -27.116 -10.008 1.00 0.00 N ATOM 268 CA LEU A 17 6.421 -27.966 -10.469 1.00 0.00 C ATOM 269 C LEU A 17 5.195 -27.717 -9.585 1.00 0.00 C ATOM 270 O LEU A 17 5.272 -27.754 -8.374 1.00 0.00 O ATOM 271 CB LEU A 17 6.820 -29.440 -10.379 1.00 0.00 C ATOM 272 CG LEU A 17 5.689 -30.310 -10.933 1.00 0.00 C ATOM 273 CD1 LEU A 17 5.251 -29.773 -12.298 1.00 0.00 C ATOM 274 CD2 LEU A 17 6.181 -31.750 -11.087 1.00 0.00 C ATOM 0 H LEU A 17 7.861 -27.282 -9.049 1.00 0.00 H new ATOM 0 HA LEU A 17 6.179 -27.714 -11.502 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.737 -29.615 -10.942 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.026 -29.709 -9.343 1.00 0.00 H new ATOM 0 HG LEU A 17 4.844 -30.286 -10.245 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.446 -30.393 -12.692 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.899 -28.747 -12.190 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.096 -29.796 -12.986 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.376 -32.369 -11.481 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.027 -31.774 -11.774 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.492 -32.134 -10.115 1.00 0.00 H new ATOM 286 N CYS A 18 4.065 -27.468 -10.188 1.00 0.00 N ATOM 287 CA CYS A 18 2.828 -27.221 -9.393 1.00 0.00 C ATOM 288 C CYS A 18 1.629 -27.798 -10.145 1.00 0.00 C ATOM 289 O CYS A 18 1.670 -27.982 -11.345 1.00 0.00 O ATOM 290 CB CYS A 18 2.636 -25.715 -9.200 1.00 0.00 C ATOM 291 SG CYS A 18 4.040 -25.047 -8.275 1.00 0.00 S ATOM 0 H CYS A 18 3.944 -27.425 -11.200 1.00 0.00 H new ATOM 0 HA CYS A 18 2.915 -27.699 -8.417 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.555 -25.220 -10.168 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.707 -25.521 -8.664 1.00 0.00 H new ATOM 296 N PRO A 19 0.540 -28.090 -9.423 1.00 0.00 N ATOM 297 CA PRO A 19 -0.676 -28.647 -10.021 1.00 0.00 C ATOM 298 C PRO A 19 -1.401 -27.615 -10.883 1.00 0.00 C ATOM 299 O PRO A 19 -1.117 -26.435 -10.826 1.00 0.00 O ATOM 300 CB PRO A 19 -1.534 -29.019 -8.814 1.00 0.00 C ATOM 301 CG PRO A 19 -1.056 -28.122 -7.720 1.00 0.00 C ATOM 302 CD PRO A 19 0.408 -27.893 -7.970 1.00 0.00 C ATOM 0 HA PRO A 19 -0.462 -29.489 -10.679 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.594 -28.865 -9.018 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -1.410 -30.069 -8.548 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.603 -27.179 -7.724 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.217 -28.580 -6.744 1.00 0.00 H new ATOM 0 HD2 PRO A 19 0.715 -26.891 -7.671 1.00 0.00 H new ATOM 0 HD3 PRO A 19 1.026 -28.596 -7.411 1.00 0.00 H new ATOM 310 N LYS A 20 -2.336 -28.047 -11.682 1.00 0.00 N ATOM 311 CA LYS A 20 -3.074 -27.085 -12.544 1.00 0.00 C ATOM 312 C LYS A 20 -4.218 -26.464 -11.745 1.00 0.00 C ATOM 313 O LYS A 20 -4.588 -25.326 -11.952 1.00 0.00 O ATOM 314 CB LYS A 20 -3.638 -27.817 -13.762 1.00 0.00 C ATOM 315 CG LYS A 20 -4.203 -26.795 -14.750 1.00 0.00 C ATOM 316 CD LYS A 20 -4.787 -27.526 -15.960 1.00 0.00 C ATOM 317 CE LYS A 20 -5.252 -26.504 -16.998 1.00 0.00 C ATOM 318 NZ LYS A 20 -4.257 -26.431 -18.103 1.00 0.00 N ATOM 0 H LYS A 20 -2.620 -29.022 -11.775 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.395 -26.300 -12.878 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.856 -28.408 -14.240 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.419 -28.512 -13.453 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.974 -26.194 -14.267 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.418 -26.109 -15.070 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.038 -28.187 -16.395 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.624 -28.152 -15.651 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -6.228 -26.788 -17.391 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -5.368 -25.525 -16.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.573 -25.736 -18.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.334 -26.141 -17.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -4.168 -27.365 -18.552 1.00 0.00 H new ATOM 332 N ASP A 21 -4.778 -27.203 -10.829 1.00 0.00 N ATOM 333 CA ASP A 21 -5.895 -26.653 -10.012 1.00 0.00 C ATOM 334 C ASP A 21 -5.438 -25.351 -9.354 1.00 0.00 C ATOM 335 O ASP A 21 -4.354 -25.267 -8.811 1.00 0.00 O ATOM 336 CB ASP A 21 -6.280 -27.666 -8.933 1.00 0.00 C ATOM 337 CG ASP A 21 -6.698 -28.980 -9.593 1.00 0.00 C ATOM 338 OD1 ASP A 21 -6.921 -28.973 -10.793 1.00 0.00 O ATOM 339 OD2 ASP A 21 -6.791 -29.972 -8.889 1.00 0.00 O ATOM 0 H ASP A 21 -4.511 -28.163 -10.611 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.758 -26.458 -10.648 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.438 -27.836 -8.262 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.097 -27.275 -8.327 1.00 0.00 H new ATOM 344 N LEU A 22 -6.252 -24.333 -9.399 1.00 0.00 N ATOM 345 CA LEU A 22 -5.854 -23.040 -8.776 1.00 0.00 C ATOM 346 C LEU A 22 -6.553 -22.888 -7.424 1.00 0.00 C ATOM 347 O LEU A 22 -7.764 -22.935 -7.331 1.00 0.00 O ATOM 348 CB LEU A 22 -6.258 -21.884 -9.692 1.00 0.00 C ATOM 349 CG LEU A 22 -5.980 -20.556 -8.984 1.00 0.00 C ATOM 350 CD1 LEU A 22 -4.480 -20.424 -8.721 1.00 0.00 C ATOM 351 CD2 LEU A 22 -6.447 -19.398 -9.867 1.00 0.00 C ATOM 0 H LEU A 22 -7.172 -24.340 -9.839 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.774 -23.026 -8.630 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.701 -21.934 -10.627 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.315 -21.959 -9.947 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.519 -20.530 -8.037 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.281 -19.478 -8.217 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.147 -21.249 -8.091 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.941 -20.451 -9.668 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.249 -18.453 -9.362 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.909 -19.423 -10.815 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.517 -19.492 -10.054 1.00 0.00 H new ATOM 363 N LYS A 23 -5.800 -22.701 -6.376 1.00 0.00 N ATOM 364 CA LYS A 23 -6.422 -22.542 -5.031 1.00 0.00 C ATOM 365 C LYS A 23 -5.671 -21.461 -4.252 1.00 0.00 C ATOM 366 O LYS A 23 -4.529 -21.638 -3.874 1.00 0.00 O ATOM 367 CB LYS A 23 -6.349 -23.868 -4.270 1.00 0.00 C ATOM 368 CG LYS A 23 -7.406 -24.830 -4.815 1.00 0.00 C ATOM 369 CD LYS A 23 -7.996 -25.646 -3.663 1.00 0.00 C ATOM 370 CE LYS A 23 -7.803 -27.138 -3.942 1.00 0.00 C ATOM 371 NZ LYS A 23 -8.396 -27.934 -2.830 1.00 0.00 N ATOM 0 H LYS A 23 -4.781 -22.651 -6.392 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.466 -22.251 -5.145 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.356 -24.305 -4.375 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.512 -23.698 -3.206 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.194 -24.272 -5.321 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.961 -25.495 -5.555 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.511 -25.375 -2.725 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.056 -25.421 -3.550 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -8.275 -27.406 -4.887 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.742 -27.366 -4.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -8.264 -28.948 -3.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.926 -27.686 -1.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -9.412 -27.725 -2.757 1.00 0.00 H new ATOM 385 N PRO A 24 -6.331 -20.318 -4.010 1.00 0.00 N ATOM 386 CA PRO A 24 -5.736 -19.189 -3.278 1.00 0.00 C ATOM 387 C PRO A 24 -5.446 -19.541 -1.818 1.00 0.00 C ATOM 388 O PRO A 24 -6.332 -19.886 -1.065 1.00 0.00 O ATOM 389 CB PRO A 24 -6.814 -18.105 -3.361 1.00 0.00 C ATOM 390 CG PRO A 24 -8.082 -18.860 -3.567 1.00 0.00 C ATOM 391 CD PRO A 24 -7.716 -20.035 -4.425 1.00 0.00 C ATOM 0 HA PRO A 24 -4.777 -18.887 -3.698 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.850 -17.509 -2.449 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -6.623 -17.417 -4.184 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.504 -19.185 -2.616 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.834 -18.238 -4.053 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.374 -20.886 -4.249 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -7.780 -19.797 -5.487 1.00 0.00 H new ATOM 399 N VAL A 25 -4.208 -19.457 -1.413 1.00 0.00 N ATOM 400 CA VAL A 25 -3.865 -19.787 0.002 1.00 0.00 C ATOM 401 C VAL A 25 -3.295 -18.552 0.697 1.00 0.00 C ATOM 402 O VAL A 25 -2.722 -17.683 0.071 1.00 0.00 O ATOM 403 CB VAL A 25 -2.811 -20.896 0.042 1.00 0.00 C ATOM 404 CG1 VAL A 25 -3.360 -22.166 -0.605 1.00 0.00 C ATOM 405 CG2 VAL A 25 -1.560 -20.437 -0.711 1.00 0.00 C ATOM 0 H VAL A 25 -3.421 -19.175 -1.997 1.00 0.00 H new ATOM 0 HA VAL A 25 -4.771 -20.119 0.510 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.557 -21.109 1.080 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.602 -22.949 -0.571 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.247 -22.496 -0.064 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.624 -21.961 -1.643 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.809 -21.226 -0.683 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.819 -20.219 -1.747 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.161 -19.539 -0.240 1.00 0.00 H new ATOM 415 N CYS A 26 -3.428 -18.481 1.991 1.00 0.00 N ATOM 416 CA CYS A 26 -2.871 -17.317 2.731 1.00 0.00 C ATOM 417 C CYS A 26 -1.487 -17.693 3.259 1.00 0.00 C ATOM 418 O CYS A 26 -1.299 -18.750 3.824 1.00 0.00 O ATOM 419 CB CYS A 26 -3.787 -16.961 3.906 1.00 0.00 C ATOM 420 SG CYS A 26 -3.010 -15.664 4.901 1.00 0.00 S ATOM 0 H CYS A 26 -3.898 -19.179 2.568 1.00 0.00 H new ATOM 0 HA CYS A 26 -2.799 -16.456 2.066 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -4.755 -16.621 3.537 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -3.971 -17.844 4.518 1.00 0.00 H new ATOM 425 N GLY A 27 -0.513 -16.848 3.072 1.00 0.00 N ATOM 426 CA GLY A 27 0.857 -17.177 3.561 1.00 0.00 C ATOM 427 C GLY A 27 1.048 -16.616 4.972 1.00 0.00 C ATOM 428 O GLY A 27 0.648 -15.508 5.269 1.00 0.00 O ATOM 0 H GLY A 27 -0.604 -15.946 2.604 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.003 -18.257 3.566 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.605 -16.758 2.888 1.00 0.00 H new ATOM 432 N ASP A 28 1.656 -17.375 5.842 1.00 0.00 N ATOM 433 CA ASP A 28 1.874 -16.891 7.235 1.00 0.00 C ATOM 434 C ASP A 28 2.864 -15.723 7.223 1.00 0.00 C ATOM 435 O ASP A 28 3.079 -15.071 8.226 1.00 0.00 O ATOM 436 CB ASP A 28 2.433 -18.029 8.089 1.00 0.00 C ATOM 437 CG ASP A 28 3.757 -18.513 7.495 1.00 0.00 C ATOM 438 OD1 ASP A 28 4.323 -17.789 6.692 1.00 0.00 O ATOM 439 OD2 ASP A 28 4.183 -19.599 7.853 1.00 0.00 O ATOM 0 H ASP A 28 2.012 -18.311 5.648 1.00 0.00 H new ATOM 0 HA ASP A 28 0.926 -16.556 7.655 1.00 0.00 H new ATOM 0 HB2 ASP A 28 2.585 -17.688 9.113 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.719 -18.851 8.130 1.00 0.00 H new ATOM 444 N ASP A 29 3.466 -15.453 6.099 1.00 0.00 N ATOM 445 CA ASP A 29 4.437 -14.324 6.029 1.00 0.00 C ATOM 446 C ASP A 29 3.687 -13.030 5.710 1.00 0.00 C ATOM 447 O ASP A 29 4.272 -12.041 5.318 1.00 0.00 O ATOM 448 CB ASP A 29 5.465 -14.598 4.929 1.00 0.00 C ATOM 449 CG ASP A 29 6.479 -15.631 5.424 1.00 0.00 C ATOM 450 OD1 ASP A 29 6.186 -16.299 6.402 1.00 0.00 O ATOM 451 OD2 ASP A 29 7.531 -15.736 4.816 1.00 0.00 O ATOM 0 H ASP A 29 3.329 -15.964 5.227 1.00 0.00 H new ATOM 0 HA ASP A 29 4.948 -14.226 6.987 1.00 0.00 H new ATOM 0 HB2 ASP A 29 4.965 -14.964 4.032 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.975 -13.674 4.655 1.00 0.00 H new ATOM 456 N GLY A 30 2.392 -13.030 5.874 1.00 0.00 N ATOM 457 CA GLY A 30 1.604 -11.801 5.579 1.00 0.00 C ATOM 458 C GLY A 30 1.412 -11.669 4.067 1.00 0.00 C ATOM 459 O GLY A 30 1.143 -10.600 3.556 1.00 0.00 O ATOM 0 H GLY A 30 1.846 -13.828 6.199 1.00 0.00 H new ATOM 0 HA2 GLY A 30 0.635 -11.849 6.077 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.119 -10.923 5.969 1.00 0.00 H new ATOM 463 N GLN A 31 1.551 -12.747 3.344 1.00 0.00 N ATOM 464 CA GLN A 31 1.378 -12.680 1.864 1.00 0.00 C ATOM 465 C GLN A 31 0.440 -13.799 1.406 1.00 0.00 C ATOM 466 O GLN A 31 0.329 -14.827 2.043 1.00 0.00 O ATOM 467 CB GLN A 31 2.739 -12.846 1.185 1.00 0.00 C ATOM 468 CG GLN A 31 3.507 -11.525 1.251 1.00 0.00 C ATOM 469 CD GLN A 31 4.922 -11.730 0.705 1.00 0.00 C ATOM 470 OE1 GLN A 31 5.256 -12.799 0.235 1.00 0.00 O ATOM 471 NE2 GLN A 31 5.774 -10.742 0.749 1.00 0.00 N ATOM 0 H GLN A 31 1.777 -13.671 3.713 1.00 0.00 H new ATOM 0 HA GLN A 31 0.950 -11.715 1.592 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.309 -13.635 1.676 1.00 0.00 H new ATOM 0 HB3 GLN A 31 2.605 -13.149 0.147 1.00 0.00 H new ATOM 0 HG2 GLN A 31 2.989 -10.761 0.671 1.00 0.00 H new ATOM 0 HG3 GLN A 31 3.551 -11.168 2.280 1.00 0.00 H new ATOM 0 HE21 GLN A 31 5.494 -9.844 1.144 1.00 0.00 H new ATOM 0 HE22 GLN A 31 6.720 -10.868 0.389 1.00 0.00 H new ATOM 480 N THR A 32 -0.235 -13.609 0.304 1.00 0.00 N ATOM 481 CA THR A 32 -1.165 -14.662 -0.195 1.00 0.00 C ATOM 482 C THR A 32 -0.663 -15.191 -1.539 1.00 0.00 C ATOM 483 O THR A 32 -0.176 -14.448 -2.368 1.00 0.00 O ATOM 484 CB THR A 32 -2.564 -14.068 -0.373 1.00 0.00 C ATOM 485 OG1 THR A 32 -2.909 -13.318 0.785 1.00 0.00 O ATOM 486 CG2 THR A 32 -3.577 -15.195 -0.576 1.00 0.00 C ATOM 0 H THR A 32 -0.182 -12.769 -0.272 1.00 0.00 H new ATOM 0 HA THR A 32 -1.206 -15.479 0.526 1.00 0.00 H new ATOM 0 HB THR A 32 -2.574 -13.414 -1.245 1.00 0.00 H new ATOM 0 HG1 THR A 32 -3.727 -12.807 0.612 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.573 -14.771 -0.703 1.00 0.00 H new ATOM 0 HG22 THR A 32 -3.311 -15.768 -1.464 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.570 -15.851 0.294 1.00 0.00 H new ATOM 494 N TYR A 33 -0.776 -16.472 -1.760 1.00 0.00 N ATOM 495 CA TYR A 33 -0.305 -17.051 -3.049 1.00 0.00 C ATOM 496 C TYR A 33 -1.501 -17.614 -3.818 1.00 0.00 C ATOM 497 O TYR A 33 -2.307 -18.348 -3.282 1.00 0.00 O ATOM 498 CB TYR A 33 0.698 -18.170 -2.765 1.00 0.00 C ATOM 499 CG TYR A 33 1.757 -17.659 -1.817 1.00 0.00 C ATOM 500 CD1 TYR A 33 2.792 -16.846 -2.294 1.00 0.00 C ATOM 501 CD2 TYR A 33 1.701 -17.999 -0.461 1.00 0.00 C ATOM 502 CE1 TYR A 33 3.771 -16.372 -1.412 1.00 0.00 C ATOM 503 CE2 TYR A 33 2.681 -17.525 0.420 1.00 0.00 C ATOM 504 CZ TYR A 33 3.717 -16.712 -0.055 1.00 0.00 C ATOM 505 OH TYR A 33 4.682 -16.245 0.814 1.00 0.00 O ATOM 0 H TYR A 33 -1.174 -17.143 -1.103 1.00 0.00 H new ATOM 0 HA TYR A 33 0.177 -16.277 -3.646 1.00 0.00 H new ATOM 0 HB2 TYR A 33 0.188 -19.030 -2.330 1.00 0.00 H new ATOM 0 HB3 TYR A 33 1.157 -18.508 -3.694 1.00 0.00 H new ATOM 0 HD1 TYR A 33 2.835 -16.585 -3.341 1.00 0.00 H new ATOM 0 HD2 TYR A 33 0.902 -18.627 -0.094 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.569 -15.743 -1.779 1.00 0.00 H new ATOM 0 HE2 TYR A 33 2.637 -17.787 1.467 1.00 0.00 H new ATOM 0 HH TYR A 33 4.259 -15.705 1.513 1.00 0.00 H new ATOM 515 N ASN A 34 -1.623 -17.273 -5.072 1.00 0.00 N ATOM 516 CA ASN A 34 -2.770 -17.785 -5.872 1.00 0.00 C ATOM 517 C ASN A 34 -2.829 -19.310 -5.765 1.00 0.00 C ATOM 518 O ASN A 34 -3.654 -19.861 -5.068 1.00 0.00 O ATOM 519 CB ASN A 34 -2.597 -17.375 -7.336 1.00 0.00 C ATOM 520 CG ASN A 34 -3.890 -17.662 -8.100 1.00 0.00 C ATOM 521 OD1 ASN A 34 -4.859 -18.121 -7.528 1.00 0.00 O ATOM 522 ND2 ASN A 34 -3.948 -17.409 -9.380 1.00 0.00 N ATOM 0 H ASN A 34 -0.979 -16.663 -5.576 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.698 -17.362 -5.488 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -2.350 -16.315 -7.402 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -1.768 -17.923 -7.783 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -4.806 -17.597 -9.899 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -3.135 -17.024 -9.861 1.00 0.00 H new ATOM 529 N ASN A 35 -1.965 -19.998 -6.451 1.00 0.00 N ATOM 530 CA ASN A 35 -1.979 -21.487 -6.385 1.00 0.00 C ATOM 531 C ASN A 35 -1.243 -21.948 -5.122 1.00 0.00 C ATOM 532 O ASN A 35 -0.338 -21.290 -4.650 1.00 0.00 O ATOM 533 CB ASN A 35 -1.301 -22.041 -7.643 1.00 0.00 C ATOM 534 CG ASN A 35 -0.900 -23.502 -7.438 1.00 0.00 C ATOM 535 OD1 ASN A 35 -0.085 -23.808 -6.592 1.00 0.00 O ATOM 536 ND2 ASN A 35 -1.443 -24.423 -8.189 1.00 0.00 N ATOM 0 H ASN A 35 -1.248 -19.596 -7.056 1.00 0.00 H new ATOM 0 HA ASN A 35 -3.003 -21.857 -6.340 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -1.978 -21.960 -8.493 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -0.419 -21.446 -7.880 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -1.182 -25.401 -8.065 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -2.128 -24.164 -8.899 1.00 0.00 H new ATOM 543 N PRO A 36 -1.646 -23.101 -4.562 1.00 0.00 N ATOM 544 CA PRO A 36 -1.029 -23.652 -3.345 1.00 0.00 C ATOM 545 C PRO A 36 0.449 -23.988 -3.552 1.00 0.00 C ATOM 546 O PRO A 36 1.302 -23.526 -2.822 1.00 0.00 O ATOM 547 CB PRO A 36 -1.843 -24.922 -3.079 1.00 0.00 C ATOM 548 CG PRO A 36 -2.401 -25.282 -4.412 1.00 0.00 C ATOM 549 CD PRO A 36 -2.726 -23.969 -5.063 1.00 0.00 C ATOM 0 HA PRO A 36 -1.045 -22.944 -2.517 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -1.217 -25.720 -2.680 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -2.634 -24.743 -2.351 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -1.680 -25.848 -5.002 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -3.290 -25.904 -4.313 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -2.720 -24.041 -6.151 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -3.711 -23.603 -4.773 1.00 0.00 H new ATOM 557 N CYS A 37 0.768 -24.771 -4.546 1.00 0.00 N ATOM 558 CA CYS A 37 2.198 -25.100 -4.786 1.00 0.00 C ATOM 559 C CYS A 37 2.950 -23.795 -5.045 1.00 0.00 C ATOM 560 O CYS A 37 4.115 -23.662 -4.727 1.00 0.00 O ATOM 561 CB CYS A 37 2.313 -26.020 -6.002 1.00 0.00 C ATOM 562 SG CYS A 37 4.036 -26.099 -6.553 1.00 0.00 S ATOM 0 H CYS A 37 0.105 -25.193 -5.196 1.00 0.00 H new ATOM 0 HA CYS A 37 2.623 -25.610 -3.921 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.957 -27.019 -5.749 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.680 -25.651 -6.809 1.00 0.00 H new ATOM 567 N MET A 38 2.282 -22.826 -5.611 1.00 0.00 N ATOM 568 CA MET A 38 2.943 -21.521 -5.882 1.00 0.00 C ATOM 569 C MET A 38 3.435 -20.940 -4.558 1.00 0.00 C ATOM 570 O MET A 38 4.377 -20.174 -4.515 1.00 0.00 O ATOM 571 CB MET A 38 1.937 -20.565 -6.529 1.00 0.00 C ATOM 572 CG MET A 38 2.089 -20.623 -8.052 1.00 0.00 C ATOM 573 SD MET A 38 0.921 -19.472 -8.818 1.00 0.00 S ATOM 574 CE MET A 38 2.051 -18.067 -8.965 1.00 0.00 C ATOM 0 H MET A 38 1.305 -22.884 -5.897 1.00 0.00 H new ATOM 0 HA MET A 38 3.786 -21.659 -6.560 1.00 0.00 H new ATOM 0 HB2 MET A 38 0.922 -20.839 -6.243 1.00 0.00 H new ATOM 0 HB3 MET A 38 2.104 -19.548 -6.174 1.00 0.00 H new ATOM 0 HG2 MET A 38 3.109 -20.366 -8.337 1.00 0.00 H new ATOM 0 HG3 MET A 38 1.904 -21.636 -8.408 1.00 0.00 H new ATOM 0 HE1 MET A 38 1.529 -17.227 -9.422 1.00 0.00 H new ATOM 0 HE2 MET A 38 2.405 -17.779 -7.975 1.00 0.00 H new ATOM 0 HE3 MET A 38 2.901 -18.347 -9.587 1.00 0.00 H new ATOM 584 N LEU A 39 2.813 -21.316 -3.472 1.00 0.00 N ATOM 585 CA LEU A 39 3.256 -20.801 -2.149 1.00 0.00 C ATOM 586 C LEU A 39 4.674 -21.303 -1.886 1.00 0.00 C ATOM 587 O LEU A 39 5.546 -20.554 -1.493 1.00 0.00 O ATOM 588 CB LEU A 39 2.318 -21.315 -1.056 1.00 0.00 C ATOM 589 CG LEU A 39 2.815 -20.828 0.309 1.00 0.00 C ATOM 590 CD1 LEU A 39 1.620 -20.509 1.213 1.00 0.00 C ATOM 591 CD2 LEU A 39 3.658 -21.923 0.960 1.00 0.00 C ATOM 0 H LEU A 39 2.019 -21.956 -3.446 1.00 0.00 H new ATOM 0 HA LEU A 39 3.237 -19.711 -2.146 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.303 -20.959 -1.235 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.281 -22.404 -1.075 1.00 0.00 H new ATOM 0 HG LEU A 39 3.416 -19.929 0.173 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.979 -20.163 2.182 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.013 -19.730 0.752 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.017 -21.407 1.349 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.013 -21.580 1.932 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.052 -22.819 1.091 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.512 -22.153 0.322 1.00 0.00 H new ATOM 603 N CYS A 40 4.915 -22.565 -2.116 1.00 0.00 N ATOM 604 CA CYS A 40 6.282 -23.107 -1.896 1.00 0.00 C ATOM 605 C CYS A 40 7.267 -22.286 -2.725 1.00 0.00 C ATOM 606 O CYS A 40 8.422 -22.145 -2.381 1.00 0.00 O ATOM 607 CB CYS A 40 6.336 -24.569 -2.337 1.00 0.00 C ATOM 608 SG CYS A 40 4.980 -25.487 -1.565 1.00 0.00 S ATOM 0 H CYS A 40 4.226 -23.241 -2.446 1.00 0.00 H new ATOM 0 HA CYS A 40 6.540 -23.048 -0.839 1.00 0.00 H new ATOM 0 HB2 CYS A 40 6.261 -24.635 -3.422 1.00 0.00 H new ATOM 0 HB3 CYS A 40 7.293 -25.009 -2.056 1.00 0.00 H new ATOM 613 N HIS A 41 6.812 -21.729 -3.813 1.00 0.00 N ATOM 614 CA HIS A 41 7.715 -20.901 -4.654 1.00 0.00 C ATOM 615 C HIS A 41 8.241 -19.749 -3.802 1.00 0.00 C ATOM 616 O HIS A 41 9.428 -19.500 -3.736 1.00 0.00 O ATOM 617 CB HIS A 41 6.930 -20.351 -5.842 1.00 0.00 C ATOM 618 CG HIS A 41 7.877 -19.987 -6.955 1.00 0.00 C ATOM 619 ND1 HIS A 41 8.598 -20.942 -7.656 1.00 0.00 N ATOM 620 CD2 HIS A 41 8.227 -18.778 -7.503 1.00 0.00 C ATOM 621 CE1 HIS A 41 9.337 -20.297 -8.578 1.00 0.00 C ATOM 622 NE2 HIS A 41 9.148 -18.975 -8.527 1.00 0.00 N ATOM 0 H HIS A 41 5.854 -21.812 -4.154 1.00 0.00 H new ATOM 0 HA HIS A 41 8.548 -21.499 -5.025 1.00 0.00 H new ATOM 0 HB2 HIS A 41 6.213 -21.094 -6.191 1.00 0.00 H new ATOM 0 HB3 HIS A 41 6.358 -19.474 -5.537 1.00 0.00 H new ATOM 0 HD1 HIS A 41 8.573 -21.950 -7.501 1.00 0.00 H new ATOM 0 HD2 HIS A 41 7.845 -17.819 -7.187 1.00 0.00 H new ATOM 0 HE1 HIS A 41 10.001 -20.788 -9.274 1.00 0.00 H new ATOM 630 N GLU A 42 7.362 -19.055 -3.133 1.00 0.00 N ATOM 631 CA GLU A 42 7.809 -17.934 -2.265 1.00 0.00 C ATOM 632 C GLU A 42 8.796 -18.481 -1.238 1.00 0.00 C ATOM 633 O GLU A 42 9.570 -17.750 -0.651 1.00 0.00 O ATOM 634 CB GLU A 42 6.603 -17.328 -1.545 1.00 0.00 C ATOM 635 CG GLU A 42 6.897 -15.868 -1.195 1.00 0.00 C ATOM 636 CD GLU A 42 7.066 -15.057 -2.481 1.00 0.00 C ATOM 637 OE1 GLU A 42 6.442 -15.412 -3.467 1.00 0.00 O ATOM 638 OE2 GLU A 42 7.817 -14.097 -2.459 1.00 0.00 O ATOM 0 H GLU A 42 6.355 -19.217 -3.151 1.00 0.00 H new ATOM 0 HA GLU A 42 8.286 -17.162 -2.869 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.719 -17.390 -2.179 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.385 -17.893 -0.639 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.084 -15.456 -0.597 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.802 -15.803 -0.591 1.00 0.00 H new ATOM 645 N ASN A 43 8.782 -19.770 -1.025 1.00 0.00 N ATOM 646 CA ASN A 43 9.729 -20.369 -0.040 1.00 0.00 C ATOM 647 C ASN A 43 11.098 -20.529 -0.706 1.00 0.00 C ATOM 648 O ASN A 43 12.127 -20.374 -0.079 1.00 0.00 O ATOM 649 CB ASN A 43 9.226 -21.743 0.415 1.00 0.00 C ATOM 650 CG ASN A 43 7.895 -21.595 1.158 1.00 0.00 C ATOM 651 OD1 ASN A 43 7.836 -21.773 2.358 1.00 0.00 O ATOM 652 ND2 ASN A 43 6.817 -21.282 0.495 1.00 0.00 N ATOM 0 H ASN A 43 8.159 -20.431 -1.488 1.00 0.00 H new ATOM 0 HA ASN A 43 9.804 -19.716 0.829 1.00 0.00 H new ATOM 0 HB2 ASN A 43 9.099 -22.397 -0.448 1.00 0.00 H new ATOM 0 HB3 ASN A 43 9.964 -22.213 1.065 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.927 -21.187 0.984 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.864 -21.132 -0.513 1.00 0.00 H new ATOM 659 N LEU A 44 11.113 -20.834 -1.975 1.00 0.00 N ATOM 660 CA LEU A 44 12.410 -21.002 -2.689 1.00 0.00 C ATOM 661 C LEU A 44 13.085 -19.638 -2.839 1.00 0.00 C ATOM 662 O LEU A 44 14.288 -19.514 -2.725 1.00 0.00 O ATOM 663 CB LEU A 44 12.151 -21.601 -4.074 1.00 0.00 C ATOM 664 CG LEU A 44 13.482 -21.817 -4.795 1.00 0.00 C ATOM 665 CD1 LEU A 44 14.466 -22.518 -3.854 1.00 0.00 C ATOM 666 CD2 LEU A 44 13.256 -22.686 -6.033 1.00 0.00 C ATOM 0 H LEU A 44 10.281 -20.974 -2.549 1.00 0.00 H new ATOM 0 HA LEU A 44 13.059 -21.668 -2.121 1.00 0.00 H new ATOM 0 HB2 LEU A 44 11.619 -22.548 -3.978 1.00 0.00 H new ATOM 0 HB3 LEU A 44 11.514 -20.935 -4.656 1.00 0.00 H new ATOM 0 HG LEU A 44 13.891 -20.853 -5.096 1.00 0.00 H new ATOM 0 HD11 LEU A 44 15.415 -22.672 -4.368 1.00 0.00 H new ATOM 0 HD12 LEU A 44 14.628 -21.900 -2.971 1.00 0.00 H new ATOM 0 HD13 LEU A 44 14.057 -23.482 -3.552 1.00 0.00 H new ATOM 0 HD21 LEU A 44 14.205 -22.840 -6.547 1.00 0.00 H new ATOM 0 HD22 LEU A 44 12.846 -23.650 -5.731 1.00 0.00 H new ATOM 0 HD23 LEU A 44 12.556 -22.188 -6.704 1.00 0.00 H new ATOM 678 N ILE A 45 12.319 -18.612 -3.090 1.00 0.00 N ATOM 679 CA ILE A 45 12.915 -17.256 -3.244 1.00 0.00 C ATOM 680 C ILE A 45 13.192 -16.667 -1.861 1.00 0.00 C ATOM 681 O ILE A 45 14.281 -16.209 -1.575 1.00 0.00 O ATOM 682 CB ILE A 45 11.935 -16.351 -3.993 1.00 0.00 C ATOM 683 CG1 ILE A 45 11.316 -17.124 -5.158 1.00 0.00 C ATOM 684 CG2 ILE A 45 12.678 -15.126 -4.530 1.00 0.00 C ATOM 685 CD1 ILE A 45 12.428 -17.651 -6.066 1.00 0.00 C ATOM 0 H ILE A 45 11.305 -18.655 -3.195 1.00 0.00 H new ATOM 0 HA ILE A 45 13.846 -17.328 -3.806 1.00 0.00 H new ATOM 0 HB ILE A 45 11.147 -16.027 -3.313 1.00 0.00 H new ATOM 0 HG12 ILE A 45 10.716 -17.952 -4.781 1.00 0.00 H new ATOM 0 HG13 ILE A 45 10.646 -16.476 -5.723 1.00 0.00 H new ATOM 0 HG21 ILE A 45 11.979 -14.482 -5.064 1.00 0.00 H new ATOM 0 HG22 ILE A 45 13.118 -14.575 -3.699 1.00 0.00 H new ATOM 0 HG23 ILE A 45 13.466 -15.448 -5.210 1.00 0.00 H new ATOM 0 HD11 ILE A 45 11.988 -18.202 -6.897 1.00 0.00 H new ATOM 0 HD12 ILE A 45 13.009 -16.814 -6.453 1.00 0.00 H new ATOM 0 HD13 ILE A 45 13.080 -18.313 -5.496 1.00 0.00 H new ATOM 697 N ARG A 46 12.213 -16.675 -1.000 1.00 0.00 N ATOM 698 CA ARG A 46 12.416 -16.114 0.365 1.00 0.00 C ATOM 699 C ARG A 46 13.287 -17.066 1.188 1.00 0.00 C ATOM 700 O ARG A 46 14.060 -16.645 2.027 1.00 0.00 O ATOM 701 CB ARG A 46 11.061 -15.941 1.052 1.00 0.00 C ATOM 702 CG ARG A 46 10.256 -14.863 0.326 1.00 0.00 C ATOM 703 CD ARG A 46 8.935 -14.635 1.064 1.00 0.00 C ATOM 704 NE ARG A 46 9.212 -14.038 2.400 1.00 0.00 N ATOM 705 CZ ARG A 46 9.596 -12.795 2.493 1.00 0.00 C ATOM 706 NH1 ARG A 46 8.728 -11.863 2.772 1.00 0.00 N ATOM 707 NH2 ARG A 46 10.850 -12.484 2.303 1.00 0.00 N ATOM 0 H ARG A 46 11.281 -17.046 -1.183 1.00 0.00 H new ATOM 0 HA ARG A 46 12.911 -15.146 0.288 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.515 -16.884 1.045 1.00 0.00 H new ATOM 0 HB3 ARG A 46 11.203 -15.662 2.096 1.00 0.00 H new ATOM 0 HG2 ARG A 46 10.826 -13.935 0.282 1.00 0.00 H new ATOM 0 HG3 ARG A 46 10.063 -15.168 -0.703 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.291 -13.974 0.484 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.402 -15.579 1.179 1.00 0.00 H new ATOM 0 HE ARG A 46 9.101 -14.602 3.243 1.00 0.00 H new ATOM 0 HH11 ARG A 46 7.748 -12.106 2.918 1.00 0.00 H new ATOM 0 HH12 ARG A 46 9.029 -10.891 2.845 1.00 0.00 H new ATOM 0 HH21 ARG A 46 11.528 -13.213 2.082 1.00 0.00 H new ATOM 0 HH22 ARG A 46 11.151 -11.512 2.376 1.00 0.00 H new ATOM 721 N GLN A 47 13.169 -18.343 0.957 1.00 0.00 N ATOM 722 CA GLN A 47 13.990 -19.318 1.728 1.00 0.00 C ATOM 723 C GLN A 47 13.711 -19.150 3.223 1.00 0.00 C ATOM 724 O GLN A 47 14.546 -19.437 4.058 1.00 0.00 O ATOM 725 CB GLN A 47 15.474 -19.062 1.454 1.00 0.00 C ATOM 726 CG GLN A 47 15.752 -19.230 -0.041 1.00 0.00 C ATOM 727 CD GLN A 47 17.225 -18.925 -0.322 1.00 0.00 C ATOM 728 OE1 GLN A 47 17.902 -18.336 0.497 1.00 0.00 O ATOM 729 NE2 GLN A 47 17.754 -19.304 -1.453 1.00 0.00 N ATOM 0 H GLN A 47 12.540 -18.754 0.268 1.00 0.00 H new ATOM 0 HA GLN A 47 13.733 -20.332 1.423 1.00 0.00 H new ATOM 0 HB2 GLN A 47 15.746 -18.056 1.775 1.00 0.00 H new ATOM 0 HB3 GLN A 47 16.086 -19.757 2.029 1.00 0.00 H new ATOM 0 HG2 GLN A 47 15.514 -20.246 -0.354 1.00 0.00 H new ATOM 0 HG3 GLN A 47 15.114 -18.561 -0.618 1.00 0.00 H new ATOM 0 HE21 GLN A 47 17.186 -19.799 -2.141 1.00 0.00 H new ATOM 0 HE22 GLN A 47 18.735 -19.106 -1.649 1.00 0.00 H new ATOM 738 N THR A 48 12.540 -18.689 3.569 1.00 0.00 N ATOM 739 CA THR A 48 12.208 -18.507 5.012 1.00 0.00 C ATOM 740 C THR A 48 11.257 -19.619 5.463 1.00 0.00 C ATOM 741 O THR A 48 10.778 -19.622 6.578 1.00 0.00 O ATOM 742 CB THR A 48 11.536 -17.147 5.215 1.00 0.00 C ATOM 743 OG1 THR A 48 10.335 -17.092 4.457 1.00 0.00 O ATOM 744 CG2 THR A 48 12.482 -16.034 4.761 1.00 0.00 C ATOM 0 H THR A 48 11.800 -18.431 2.917 1.00 0.00 H new ATOM 0 HA THR A 48 13.123 -18.551 5.602 1.00 0.00 H new ATOM 0 HB THR A 48 11.303 -17.013 6.271 1.00 0.00 H new ATOM 0 HG1 THR A 48 9.673 -16.548 4.933 1.00 0.00 H new ATOM 0 HG21 THR A 48 12.002 -15.066 4.906 1.00 0.00 H new ATOM 0 HG22 THR A 48 13.400 -16.075 5.347 1.00 0.00 H new ATOM 0 HG23 THR A 48 12.719 -16.166 3.705 1.00 0.00 H new ATOM 752 N ASN A 49 10.982 -20.563 4.604 1.00 0.00 N ATOM 753 CA ASN A 49 10.064 -21.674 4.983 1.00 0.00 C ATOM 754 C ASN A 49 8.662 -21.118 5.243 1.00 0.00 C ATOM 755 O ASN A 49 8.066 -21.366 6.271 1.00 0.00 O ATOM 756 CB ASN A 49 10.584 -22.357 6.250 1.00 0.00 C ATOM 757 CG ASN A 49 12.016 -22.842 6.016 1.00 0.00 C ATOM 758 OD1 ASN A 49 12.945 -22.345 6.620 1.00 0.00 O ATOM 759 ND2 ASN A 49 12.234 -23.800 5.157 1.00 0.00 N ATOM 0 H ASN A 49 11.354 -20.612 3.656 1.00 0.00 H new ATOM 0 HA ASN A 49 10.021 -22.399 4.170 1.00 0.00 H new ATOM 0 HB2 ASN A 49 10.557 -21.661 7.089 1.00 0.00 H new ATOM 0 HB3 ASN A 49 9.942 -23.198 6.512 1.00 0.00 H new ATOM 0 HD21 ASN A 49 13.185 -24.131 4.993 1.00 0.00 H new ATOM 0 HD22 ASN A 49 11.454 -24.217 4.650 1.00 0.00 H new ATOM 766 N THR A 50 8.127 -20.373 4.316 1.00 0.00 N ATOM 767 CA THR A 50 6.763 -19.808 4.511 1.00 0.00 C ATOM 768 C THR A 50 5.728 -20.928 4.387 1.00 0.00 C ATOM 769 O THR A 50 5.798 -21.754 3.499 1.00 0.00 O ATOM 770 CB THR A 50 6.492 -18.747 3.441 1.00 0.00 C ATOM 771 OG1 THR A 50 7.502 -17.749 3.502 1.00 0.00 O ATOM 772 CG2 THR A 50 5.124 -18.108 3.687 1.00 0.00 C ATOM 0 H THR A 50 8.575 -20.131 3.432 1.00 0.00 H new ATOM 0 HA THR A 50 6.695 -19.354 5.500 1.00 0.00 H new ATOM 0 HB THR A 50 6.499 -19.213 2.456 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.599 -17.438 4.426 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.933 -17.353 2.924 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.351 -18.875 3.641 1.00 0.00 H new ATOM 0 HG23 THR A 50 5.113 -17.640 4.672 1.00 0.00 H new ATOM 780 N HIS A 51 4.766 -20.962 5.266 1.00 0.00 N ATOM 781 CA HIS A 51 3.729 -22.029 5.191 1.00 0.00 C ATOM 782 C HIS A 51 2.370 -21.393 4.896 1.00 0.00 C ATOM 783 O HIS A 51 2.260 -20.196 4.714 1.00 0.00 O ATOM 784 CB HIS A 51 3.658 -22.772 6.525 1.00 0.00 C ATOM 785 CG HIS A 51 5.045 -22.952 7.079 1.00 0.00 C ATOM 786 ND1 HIS A 51 5.693 -24.177 7.063 1.00 0.00 N ATOM 787 CD2 HIS A 51 5.918 -22.073 7.672 1.00 0.00 C ATOM 788 CE1 HIS A 51 6.900 -24.004 7.631 1.00 0.00 C ATOM 789 NE2 HIS A 51 7.088 -22.740 8.020 1.00 0.00 N ATOM 0 H HIS A 51 4.653 -20.298 6.032 1.00 0.00 H new ATOM 0 HA HIS A 51 3.989 -22.731 4.398 1.00 0.00 H new ATOM 0 HB2 HIS A 51 3.043 -22.214 7.231 1.00 0.00 H new ATOM 0 HB3 HIS A 51 3.182 -23.743 6.387 1.00 0.00 H new ATOM 0 HD2 HIS A 51 5.725 -21.024 7.842 1.00 0.00 H new ATOM 0 HE1 HIS A 51 7.628 -24.791 7.757 1.00 0.00 H new ATOM 0 HE2 HIS A 51 7.913 -22.348 8.475 1.00 0.00 H new ATOM 797 N ILE A 52 1.332 -22.183 4.851 1.00 0.00 N ATOM 798 CA ILE A 52 -0.017 -21.618 4.572 1.00 0.00 C ATOM 799 C ILE A 52 -0.660 -21.162 5.883 1.00 0.00 C ATOM 800 O ILE A 52 -0.801 -21.925 6.817 1.00 0.00 O ATOM 801 CB ILE A 52 -0.897 -22.682 3.920 1.00 0.00 C ATOM 802 CG1 ILE A 52 -0.259 -23.133 2.603 1.00 0.00 C ATOM 803 CG2 ILE A 52 -2.279 -22.085 3.645 1.00 0.00 C ATOM 804 CD1 ILE A 52 -1.225 -24.054 1.857 1.00 0.00 C ATOM 0 H ILE A 52 1.360 -23.192 4.995 1.00 0.00 H new ATOM 0 HA ILE A 52 0.082 -20.768 3.897 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.994 -23.541 4.584 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.018 -22.266 1.988 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.678 -23.654 2.800 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.915 -22.838 3.179 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.729 -21.761 4.584 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.180 -21.230 2.976 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.771 -24.375 0.920 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.444 -24.927 2.472 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.150 -23.517 1.647 1.00 0.00 H new ATOM 816 N ARG A 53 -1.053 -19.922 5.954 1.00 0.00 N ATOM 817 CA ARG A 53 -1.689 -19.410 7.198 1.00 0.00 C ATOM 818 C ARG A 53 -3.159 -19.828 7.224 1.00 0.00 C ATOM 819 O ARG A 53 -3.690 -20.211 8.247 1.00 0.00 O ATOM 820 CB ARG A 53 -1.592 -17.883 7.223 1.00 0.00 C ATOM 821 CG ARG A 53 -2.316 -17.345 8.457 1.00 0.00 C ATOM 822 CD ARG A 53 -2.265 -15.816 8.454 1.00 0.00 C ATOM 823 NE ARG A 53 -2.754 -15.300 9.764 1.00 0.00 N ATOM 824 CZ ARG A 53 -3.980 -15.538 10.143 1.00 0.00 C ATOM 825 NH1 ARG A 53 -4.212 -16.391 11.103 1.00 0.00 N ATOM 826 NH2 ARG A 53 -4.974 -14.923 9.561 1.00 0.00 N ATOM 0 H ARG A 53 -0.961 -19.239 5.202 1.00 0.00 H new ATOM 0 HA ARG A 53 -1.178 -19.822 8.068 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -0.547 -17.575 7.239 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.034 -17.465 6.318 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.352 -17.685 8.461 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.850 -17.733 9.363 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.245 -15.476 8.275 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.879 -15.423 7.644 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.130 -14.761 10.364 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -3.435 -16.872 11.557 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.170 -16.577 11.399 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -4.792 -14.257 8.810 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.932 -15.109 9.857 1.00 0.00 H new ATOM 840 N SER A 54 -3.816 -19.759 6.101 1.00 0.00 N ATOM 841 CA SER A 54 -5.250 -20.154 6.050 1.00 0.00 C ATOM 842 C SER A 54 -5.630 -20.483 4.606 1.00 0.00 C ATOM 843 O SER A 54 -5.066 -19.953 3.669 1.00 0.00 O ATOM 844 CB SER A 54 -6.121 -19.002 6.556 1.00 0.00 C ATOM 845 OG SER A 54 -7.300 -19.525 7.151 1.00 0.00 O ATOM 0 H SER A 54 -3.421 -19.445 5.214 1.00 0.00 H new ATOM 0 HA SER A 54 -5.409 -21.028 6.681 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.568 -18.406 7.282 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.381 -18.339 5.731 1.00 0.00 H new ATOM 0 HG SER A 54 -7.857 -18.787 7.477 1.00 0.00 H new ATOM 851 N THR A 55 -6.583 -21.353 4.415 1.00 0.00 N ATOM 852 CA THR A 55 -6.992 -21.712 3.029 1.00 0.00 C ATOM 853 C THR A 55 -7.735 -20.534 2.398 1.00 0.00 C ATOM 854 O THR A 55 -8.429 -19.794 3.066 1.00 0.00 O ATOM 855 CB THR A 55 -7.911 -22.935 3.067 1.00 0.00 C ATOM 856 OG1 THR A 55 -9.165 -22.567 3.623 1.00 0.00 O ATOM 857 CG2 THR A 55 -7.273 -24.030 3.921 1.00 0.00 C ATOM 0 H THR A 55 -7.095 -21.830 5.157 1.00 0.00 H new ATOM 0 HA THR A 55 -6.107 -21.944 2.437 1.00 0.00 H new ATOM 0 HB THR A 55 -8.059 -23.309 2.054 1.00 0.00 H new ATOM 0 HG1 THR A 55 -9.755 -23.349 3.646 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.929 -24.900 3.947 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.312 -24.313 3.491 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.122 -23.659 4.935 1.00 0.00 H new ATOM 865 N GLY A 56 -7.589 -20.353 1.115 1.00 0.00 N ATOM 866 CA GLY A 56 -8.284 -19.222 0.441 1.00 0.00 C ATOM 867 C GLY A 56 -7.400 -17.977 0.501 1.00 0.00 C ATOM 868 O GLY A 56 -6.433 -17.923 1.235 1.00 0.00 O ATOM 0 H GLY A 56 -7.019 -20.939 0.505 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.500 -19.479 -0.596 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.240 -19.027 0.926 1.00 0.00 H new ATOM 872 N LYS A 57 -7.727 -16.975 -0.262 1.00 0.00 N ATOM 873 CA LYS A 57 -6.911 -15.729 -0.250 1.00 0.00 C ATOM 874 C LYS A 57 -7.020 -15.068 1.125 1.00 0.00 C ATOM 875 O LYS A 57 -8.044 -15.132 1.775 1.00 0.00 O ATOM 876 CB LYS A 57 -7.429 -14.768 -1.321 1.00 0.00 C ATOM 877 CG LYS A 57 -6.469 -13.583 -1.455 1.00 0.00 C ATOM 878 CD LYS A 57 -7.217 -12.388 -2.053 1.00 0.00 C ATOM 879 CE LYS A 57 -6.222 -11.273 -2.379 1.00 0.00 C ATOM 880 NZ LYS A 57 -6.932 -10.160 -3.069 1.00 0.00 N ATOM 0 H LYS A 57 -8.526 -16.964 -0.896 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.869 -15.973 -0.457 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -7.519 -15.286 -2.276 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -8.425 -14.414 -1.055 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -6.061 -13.319 -0.479 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -5.626 -13.854 -2.091 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -7.747 -12.692 -2.956 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -7.967 -12.026 -1.350 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -5.755 -10.909 -1.464 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -5.423 -11.658 -3.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -6.256 -9.402 -3.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -7.358 -10.513 -3.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -7.679 -9.787 -2.449 1.00 0.00 H new ATOM 894 N CYS A 58 -5.972 -14.436 1.572 1.00 0.00 N ATOM 895 CA CYS A 58 -6.017 -13.773 2.905 1.00 0.00 C ATOM 896 C CYS A 58 -6.727 -12.424 2.786 1.00 0.00 C ATOM 897 O CYS A 58 -6.695 -11.783 1.754 1.00 0.00 O ATOM 898 CB CYS A 58 -4.591 -13.558 3.416 1.00 0.00 C ATOM 899 SG CYS A 58 -4.439 -14.249 5.080 1.00 0.00 S ATOM 0 H CYS A 58 -5.087 -14.350 1.073 1.00 0.00 H new ATOM 0 HA CYS A 58 -6.563 -14.406 3.605 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -3.877 -14.036 2.745 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -4.354 -12.494 3.429 1.00 0.00 H new ATOM 904 N GLU A 59 -7.367 -11.986 3.836 1.00 0.00 N ATOM 905 CA GLU A 59 -8.080 -10.679 3.784 1.00 0.00 C ATOM 906 C GLU A 59 -7.953 -9.975 5.137 1.00 0.00 C ATOM 907 O GLU A 59 -6.856 -9.550 5.461 1.00 0.00 O ATOM 908 CB GLU A 59 -9.558 -10.915 3.468 1.00 0.00 C ATOM 909 CG GLU A 59 -9.689 -11.555 2.085 1.00 0.00 C ATOM 910 CD GLU A 59 -11.170 -11.733 1.744 1.00 0.00 C ATOM 911 OE1 GLU A 59 -11.990 -11.522 2.622 1.00 0.00 O ATOM 912 OE2 GLU A 59 -11.458 -12.077 0.609 1.00 0.00 O ATOM 913 OXT GLU A 59 -8.955 -9.871 5.825 1.00 0.00 O ATOM 0 H GLU A 59 -7.427 -12.477 4.728 1.00 0.00 H new ATOM 0 HA GLU A 59 -7.639 -10.055 3.007 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -10.003 -11.562 4.223 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -10.102 -9.971 3.496 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.205 -10.929 1.335 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -9.183 -12.520 2.070 1.00 0.00 H new TER 920 GLU A 59