USER MOD reduce.3.24.130724 H: found=0, std=0, add=379, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 379 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 30 THR OG1 : rot -152:sc= 0.668 USER MOD Set 1.2: A 41 TYR OH : rot 0:sc= 0.509 USER MOD Single : A 1 MET CE :methyl -131:sc= -1.59! (180deg=-2.77!) USER MOD Single : A 1 MET N :NH3+ -134:sc= -0.832! (180deg=-1.6!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -2.29! K(o=-2.3!,f=0.24) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 37:sc= 0.391 USER MOD Single : A 23 LYS NZ :NH3+ -174:sc= 0.408 (180deg=0.35) USER MOD Single : A 24 LYS NZ :NH3+ -116:sc= -1.51 (180deg=-3.78!) USER MOD Single : A 25 ASN : amide:sc=-0.00225 X(o=-0.0022,f=0) USER MOD Single : A 31 ASN : amide:sc= -0.549 K(o=-0.55,f=-9.3!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -140:sc= -2.11! (180deg=-4.69!) USER MOD Single : A 43 SER OG : rot -68:sc= -0.438 USER MOD Single : A 47 THR OG1 : rot 121:sc= -0.0699 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.769 14.561 -9.523 1.00 0.00 N ATOM 2 CA MET A 1 -9.017 14.503 -8.236 1.00 0.00 C ATOM 3 C MET A 1 -9.298 13.182 -7.494 1.00 0.00 C ATOM 4 O MET A 1 -9.082 13.075 -6.301 1.00 0.00 O ATOM 5 CB MET A 1 -9.424 15.715 -7.344 1.00 0.00 C ATOM 6 CG MET A 1 -10.932 15.719 -6.989 1.00 0.00 C ATOM 7 SD MET A 1 -12.141 15.844 -8.335 1.00 0.00 S ATOM 8 CE MET A 1 -12.727 14.130 -8.390 1.00 0.00 C ATOM 0 H1 MET A 1 -9.136 14.887 -10.281 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.130 13.614 -9.757 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.566 15.222 -9.430 1.00 0.00 H new ATOM 0 HA MET A 1 -7.949 14.549 -8.451 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.839 15.696 -6.425 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.175 16.641 -7.862 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.144 14.803 -6.437 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.109 16.550 -6.307 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.708 13.772 -9.419 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.079 13.504 -7.776 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.747 14.082 -8.008 1.00 0.00 H new ATOM 20 N LYS A 2 -9.771 12.211 -8.235 1.00 0.00 N ATOM 21 CA LYS A 2 -10.091 10.871 -7.651 1.00 0.00 C ATOM 22 C LYS A 2 -8.804 10.199 -7.155 1.00 0.00 C ATOM 23 O LYS A 2 -7.841 10.102 -7.893 1.00 0.00 O ATOM 24 CB LYS A 2 -10.757 9.997 -8.734 1.00 0.00 C ATOM 25 CG LYS A 2 -12.059 10.671 -9.221 1.00 0.00 C ATOM 26 CD LYS A 2 -12.725 9.787 -10.293 1.00 0.00 C ATOM 27 CE LYS A 2 -14.012 10.471 -10.787 1.00 0.00 C ATOM 28 NZ LYS A 2 -14.663 9.631 -11.830 1.00 0.00 N ATOM 0 H LYS A 2 -9.952 12.291 -9.236 1.00 0.00 H new ATOM 0 HA LYS A 2 -10.772 10.990 -6.808 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -10.074 9.856 -9.572 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -10.977 9.008 -8.332 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -12.740 10.820 -8.383 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -11.839 11.656 -9.632 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -12.041 9.628 -11.126 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -12.957 8.806 -9.879 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -14.696 10.625 -9.952 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -13.778 11.455 -11.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -15.532 10.098 -12.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -14.012 9.506 -12.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -14.901 8.702 -11.429 1.00 0.00 H new ATOM 42 N ALA A 3 -8.837 9.762 -5.918 1.00 0.00 N ATOM 43 CA ALA A 3 -7.668 9.079 -5.268 1.00 0.00 C ATOM 44 C ALA A 3 -6.423 9.978 -5.201 1.00 0.00 C ATOM 45 O ALA A 3 -6.396 11.070 -5.736 1.00 0.00 O ATOM 46 CB ALA A 3 -7.330 7.787 -6.053 1.00 0.00 C ATOM 0 H ALA A 3 -9.652 9.853 -5.312 1.00 0.00 H new ATOM 0 HA ALA A 3 -7.954 8.844 -4.243 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -6.482 7.288 -5.584 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -8.193 7.121 -6.046 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -7.078 8.042 -7.082 1.00 0.00 H new ATOM 52 N CYS A 4 -5.425 9.469 -4.525 1.00 0.00 N ATOM 53 CA CYS A 4 -4.132 10.201 -4.356 1.00 0.00 C ATOM 54 C CYS A 4 -3.357 10.225 -5.686 1.00 0.00 C ATOM 55 O CYS A 4 -3.907 9.949 -6.734 1.00 0.00 O ATOM 56 CB CYS A 4 -3.340 9.474 -3.278 1.00 0.00 C ATOM 57 SG CYS A 4 -4.208 9.071 -1.743 1.00 0.00 S ATOM 0 H CYS A 4 -5.453 8.555 -4.072 1.00 0.00 H new ATOM 0 HA CYS A 4 -4.305 11.237 -4.063 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -2.961 8.546 -3.705 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -2.474 10.085 -3.025 1.00 0.00 H new ATOM 62 N THR A 5 -2.095 10.563 -5.591 1.00 0.00 N ATOM 63 CA THR A 5 -1.201 10.634 -6.778 1.00 0.00 C ATOM 64 C THR A 5 -0.906 9.198 -7.278 1.00 0.00 C ATOM 65 O THR A 5 -1.828 8.461 -7.573 1.00 0.00 O ATOM 66 CB THR A 5 0.068 11.388 -6.313 1.00 0.00 C ATOM 67 OG1 THR A 5 -0.415 12.582 -5.713 1.00 0.00 O ATOM 68 CG2 THR A 5 0.858 11.910 -7.503 1.00 0.00 C ATOM 0 H THR A 5 -1.638 10.799 -4.710 1.00 0.00 H new ATOM 0 HA THR A 5 -1.646 11.164 -7.620 1.00 0.00 H new ATOM 0 HB THR A 5 0.673 10.730 -5.689 1.00 0.00 H new ATOM 0 HG1 THR A 5 0.341 13.115 -5.390 1.00 0.00 H new ATOM 0 HG21 THR A 5 1.745 12.436 -7.149 1.00 0.00 H new ATOM 0 HG22 THR A 5 1.160 11.074 -8.134 1.00 0.00 H new ATOM 0 HG23 THR A 5 0.237 12.595 -8.080 1.00 0.00 H new ATOM 76 N LEU A 6 0.350 8.829 -7.364 1.00 0.00 N ATOM 77 CA LEU A 6 0.718 7.455 -7.840 1.00 0.00 C ATOM 78 C LEU A 6 2.157 7.031 -7.503 1.00 0.00 C ATOM 79 O LEU A 6 2.593 5.975 -7.922 1.00 0.00 O ATOM 80 CB LEU A 6 0.491 7.380 -9.384 1.00 0.00 C ATOM 81 CG LEU A 6 0.993 8.650 -10.117 1.00 0.00 C ATOM 82 CD1 LEU A 6 2.521 8.853 -9.985 1.00 0.00 C ATOM 83 CD2 LEU A 6 0.615 8.564 -11.609 1.00 0.00 C ATOM 0 H LEU A 6 1.142 9.424 -7.123 1.00 0.00 H new ATOM 0 HA LEU A 6 0.074 6.756 -7.307 1.00 0.00 H new ATOM 0 HB2 LEU A 6 1.007 6.506 -9.782 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.571 7.243 -9.586 1.00 0.00 H new ATOM 0 HG LEU A 6 0.511 9.506 -9.645 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.815 9.757 -10.518 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.786 8.950 -8.932 1.00 0.00 H new ATOM 0 HD13 LEU A 6 3.040 7.995 -10.412 1.00 0.00 H new ATOM 0 HD21 LEU A 6 0.967 9.457 -12.126 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.078 7.682 -12.051 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.468 8.492 -11.706 1.00 0.00 H new ATOM 95 N ASN A 7 2.859 7.854 -6.763 1.00 0.00 N ATOM 96 CA ASN A 7 4.255 7.552 -6.376 1.00 0.00 C ATOM 97 C ASN A 7 4.337 6.236 -5.608 1.00 0.00 C ATOM 98 O ASN A 7 3.394 5.824 -4.960 1.00 0.00 O ATOM 99 CB ASN A 7 4.807 8.678 -5.494 1.00 0.00 C ATOM 100 CG ASN A 7 4.692 10.021 -6.227 1.00 0.00 C ATOM 101 OD1 ASN A 7 5.659 10.547 -6.742 1.00 0.00 O ATOM 102 ND2 ASN A 7 3.529 10.607 -6.298 1.00 0.00 N ATOM 0 H ASN A 7 2.506 8.742 -6.407 1.00 0.00 H new ATOM 0 HA ASN A 7 4.846 7.467 -7.288 1.00 0.00 H new ATOM 0 HB2 ASN A 7 4.256 8.719 -4.554 1.00 0.00 H new ATOM 0 HB3 ASN A 7 5.849 8.478 -5.244 1.00 0.00 H new ATOM 0 HD21 ASN A 7 3.436 11.500 -6.783 1.00 0.00 H new ATOM 0 HD22 ASN A 7 2.712 10.173 -5.869 1.00 0.00 H new ATOM 109 N CYS A 8 5.486 5.632 -5.718 1.00 0.00 N ATOM 110 CA CYS A 8 5.727 4.331 -5.029 1.00 0.00 C ATOM 111 C CYS A 8 6.249 4.543 -3.609 1.00 0.00 C ATOM 112 O CYS A 8 7.226 5.237 -3.403 1.00 0.00 O ATOM 113 CB CYS A 8 6.748 3.493 -5.837 1.00 0.00 C ATOM 114 SG CYS A 8 7.476 4.162 -7.356 1.00 0.00 S ATOM 0 H CYS A 8 6.275 5.985 -6.259 1.00 0.00 H new ATOM 0 HA CYS A 8 4.777 3.800 -4.968 1.00 0.00 H new ATOM 0 HB2 CYS A 8 7.570 3.249 -5.164 1.00 0.00 H new ATOM 0 HB3 CYS A 8 6.261 2.554 -6.098 1.00 0.00 H new ATOM 119 N ASP A 9 5.569 3.930 -2.675 1.00 0.00 N ATOM 120 CA ASP A 9 5.971 4.047 -1.239 1.00 0.00 C ATOM 121 C ASP A 9 6.982 2.918 -0.950 1.00 0.00 C ATOM 122 O ASP A 9 6.731 1.797 -1.347 1.00 0.00 O ATOM 123 CB ASP A 9 4.726 3.889 -0.357 1.00 0.00 C ATOM 124 CG ASP A 9 5.115 3.968 1.127 1.00 0.00 C ATOM 125 OD1 ASP A 9 5.425 2.918 1.664 1.00 0.00 O ATOM 126 OD2 ASP A 9 5.082 5.075 1.637 1.00 0.00 O ATOM 0 H ASP A 9 4.748 3.350 -2.845 1.00 0.00 H new ATOM 0 HA ASP A 9 6.422 5.017 -1.029 1.00 0.00 H new ATOM 0 HB2 ASP A 9 4.003 4.669 -0.593 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.243 2.934 -0.564 1.00 0.00 H new ATOM 131 N PRO A 10 8.077 3.213 -0.280 1.00 0.00 N ATOM 132 CA PRO A 10 9.173 2.221 -0.056 1.00 0.00 C ATOM 133 C PRO A 10 8.666 0.907 0.548 1.00 0.00 C ATOM 134 O PRO A 10 9.166 -0.157 0.238 1.00 0.00 O ATOM 135 CB PRO A 10 10.189 2.915 0.856 1.00 0.00 C ATOM 136 CG PRO A 10 9.623 4.302 1.204 1.00 0.00 C ATOM 137 CD PRO A 10 8.378 4.539 0.340 1.00 0.00 C ATOM 0 HA PRO A 10 9.625 1.929 -1.004 1.00 0.00 H new ATOM 0 HB2 PRO A 10 10.355 2.330 1.761 1.00 0.00 H new ATOM 0 HB3 PRO A 10 11.153 3.008 0.356 1.00 0.00 H new ATOM 0 HG2 PRO A 10 9.367 4.354 2.262 1.00 0.00 H new ATOM 0 HG3 PRO A 10 10.368 5.075 1.018 1.00 0.00 H new ATOM 0 HD2 PRO A 10 7.541 4.892 0.943 1.00 0.00 H new ATOM 0 HD3 PRO A 10 8.564 5.297 -0.421 1.00 0.00 H new ATOM 145 N ARG A 11 7.682 1.040 1.394 1.00 0.00 N ATOM 146 CA ARG A 11 7.079 -0.147 2.068 1.00 0.00 C ATOM 147 C ARG A 11 6.116 -0.862 1.113 1.00 0.00 C ATOM 148 O ARG A 11 5.925 -2.056 1.220 1.00 0.00 O ATOM 149 CB ARG A 11 6.308 0.305 3.315 1.00 0.00 C ATOM 150 CG ARG A 11 7.209 1.201 4.198 1.00 0.00 C ATOM 151 CD ARG A 11 6.403 1.696 5.406 1.00 0.00 C ATOM 152 NE ARG A 11 5.209 2.446 4.902 1.00 0.00 N ATOM 153 CZ ARG A 11 5.255 3.718 4.591 1.00 0.00 C ATOM 154 NH1 ARG A 11 6.364 4.398 4.702 1.00 0.00 N ATOM 155 NH2 ARG A 11 4.155 4.276 4.168 1.00 0.00 N ATOM 0 H ARG A 11 7.263 1.934 1.651 1.00 0.00 H new ATOM 0 HA ARG A 11 7.877 -0.832 2.355 1.00 0.00 H new ATOM 0 HB2 ARG A 11 5.413 0.853 3.021 1.00 0.00 H new ATOM 0 HB3 ARG A 11 5.977 -0.564 3.883 1.00 0.00 H new ATOM 0 HG2 ARG A 11 8.082 0.641 4.533 1.00 0.00 H new ATOM 0 HG3 ARG A 11 7.577 2.049 3.620 1.00 0.00 H new ATOM 0 HD2 ARG A 11 6.089 0.854 6.023 1.00 0.00 H new ATOM 0 HD3 ARG A 11 7.018 2.340 6.034 1.00 0.00 H new ATOM 0 HE ARG A 11 4.325 1.947 4.797 1.00 0.00 H new ATOM 0 HH11 ARG A 11 7.212 3.940 5.035 1.00 0.00 H new ATOM 0 HH12 ARG A 11 6.382 5.388 4.456 1.00 0.00 H new ATOM 0 HH21 ARG A 11 3.301 3.724 4.089 1.00 0.00 H new ATOM 0 HH22 ARG A 11 4.149 5.264 3.916 1.00 0.00 H new ATOM 169 N ILE A 12 5.541 -0.108 0.208 1.00 0.00 N ATOM 170 CA ILE A 12 4.578 -0.685 -0.782 1.00 0.00 C ATOM 171 C ILE A 12 5.311 -1.208 -2.021 1.00 0.00 C ATOM 172 O ILE A 12 6.305 -0.656 -2.450 1.00 0.00 O ATOM 173 CB ILE A 12 3.563 0.408 -1.206 1.00 0.00 C ATOM 174 CG1 ILE A 12 2.823 0.999 0.032 1.00 0.00 C ATOM 175 CG2 ILE A 12 2.538 -0.141 -2.240 1.00 0.00 C ATOM 176 CD1 ILE A 12 1.982 -0.039 0.769 1.00 0.00 C ATOM 0 H ILE A 12 5.700 0.895 0.112 1.00 0.00 H new ATOM 0 HA ILE A 12 4.057 -1.520 -0.313 1.00 0.00 H new ATOM 0 HB ILE A 12 4.128 1.209 -1.682 1.00 0.00 H new ATOM 0 HG12 ILE A 12 3.555 1.421 0.720 1.00 0.00 H new ATOM 0 HG13 ILE A 12 2.180 1.818 -0.291 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.841 0.650 -2.516 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.067 -0.486 -3.129 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.987 -0.973 -1.800 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.490 0.430 1.621 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.229 -0.444 0.093 1.00 0.00 H new ATOM 0 HD13 ILE A 12 2.625 -0.846 1.120 1.00 0.00 H new ATOM 188 N ALA A 13 4.766 -2.275 -2.541 1.00 0.00 N ATOM 189 CA ALA A 13 5.324 -2.941 -3.758 1.00 0.00 C ATOM 190 C ALA A 13 4.251 -2.963 -4.840 1.00 0.00 C ATOM 191 O ALA A 13 4.484 -2.566 -5.964 1.00 0.00 O ATOM 192 CB ALA A 13 5.715 -4.354 -3.411 1.00 0.00 C ATOM 0 H ALA A 13 3.933 -2.726 -2.163 1.00 0.00 H new ATOM 0 HA ALA A 13 6.199 -2.398 -4.116 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.123 -4.846 -4.294 1.00 0.00 H new ATOM 0 HB2 ALA A 13 6.468 -4.340 -2.623 1.00 0.00 H new ATOM 0 HB3 ALA A 13 4.837 -4.900 -3.064 1.00 0.00 H new ATOM 198 N TYR A 14 3.099 -3.441 -4.447 1.00 0.00 N ATOM 199 CA TYR A 14 1.941 -3.529 -5.397 1.00 0.00 C ATOM 200 C TYR A 14 0.655 -3.761 -4.600 1.00 0.00 C ATOM 201 O TYR A 14 0.685 -3.772 -3.384 1.00 0.00 O ATOM 202 CB TYR A 14 2.204 -4.699 -6.398 1.00 0.00 C ATOM 203 CG TYR A 14 2.671 -5.975 -5.684 1.00 0.00 C ATOM 204 CD1 TYR A 14 4.010 -6.185 -5.433 1.00 0.00 C ATOM 205 CD2 TYR A 14 1.761 -6.921 -5.278 1.00 0.00 C ATOM 206 CE1 TYR A 14 4.431 -7.322 -4.781 1.00 0.00 C ATOM 207 CE2 TYR A 14 2.178 -8.061 -4.626 1.00 0.00 C ATOM 208 CZ TYR A 14 3.518 -8.269 -4.372 1.00 0.00 C ATOM 209 OH TYR A 14 3.938 -9.409 -3.717 1.00 0.00 O ATOM 0 H TYR A 14 2.906 -3.777 -3.504 1.00 0.00 H new ATOM 0 HA TYR A 14 1.831 -2.603 -5.961 1.00 0.00 H new ATOM 0 HB2 TYR A 14 1.292 -4.910 -6.957 1.00 0.00 H new ATOM 0 HB3 TYR A 14 2.958 -4.393 -7.123 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.736 -5.451 -5.751 1.00 0.00 H new ATOM 0 HD2 TYR A 14 0.709 -6.770 -5.472 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.483 -7.472 -4.589 1.00 0.00 H new ATOM 0 HE2 TYR A 14 1.452 -8.796 -4.312 1.00 0.00 H new ATOM 0 HH TYR A 14 3.162 -9.967 -3.500 1.00 0.00 H new ATOM 219 N GLY A 15 -0.440 -3.936 -5.300 1.00 0.00 N ATOM 220 CA GLY A 15 -1.736 -4.165 -4.596 1.00 0.00 C ATOM 221 C GLY A 15 -2.781 -4.869 -5.463 1.00 0.00 C ATOM 222 O GLY A 15 -2.717 -4.832 -6.677 1.00 0.00 O ATOM 0 H GLY A 15 -0.491 -3.930 -6.319 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -1.555 -4.761 -3.702 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -2.135 -3.207 -4.265 1.00 0.00 H new ATOM 226 N VAL A 16 -3.713 -5.492 -4.783 1.00 0.00 N ATOM 227 CA VAL A 16 -4.826 -6.238 -5.460 1.00 0.00 C ATOM 228 C VAL A 16 -6.176 -5.645 -5.039 1.00 0.00 C ATOM 229 O VAL A 16 -6.526 -5.669 -3.875 1.00 0.00 O ATOM 230 CB VAL A 16 -4.741 -7.735 -5.058 1.00 0.00 C ATOM 231 CG1 VAL A 16 -6.040 -8.497 -5.428 1.00 0.00 C ATOM 232 CG2 VAL A 16 -3.559 -8.385 -5.802 1.00 0.00 C ATOM 0 H VAL A 16 -3.751 -5.516 -3.764 1.00 0.00 H new ATOM 0 HA VAL A 16 -4.733 -6.149 -6.542 1.00 0.00 H new ATOM 0 HB VAL A 16 -4.603 -7.791 -3.978 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -5.946 -9.542 -5.132 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.886 -8.048 -4.908 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -6.203 -8.438 -6.504 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.490 -9.437 -5.527 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.715 -8.301 -6.877 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -2.634 -7.877 -5.529 1.00 0.00 H new ATOM 242 N CYS A 17 -6.889 -5.137 -6.012 1.00 0.00 N ATOM 243 CA CYS A 17 -8.230 -4.522 -5.769 1.00 0.00 C ATOM 244 C CYS A 17 -9.329 -5.428 -6.363 1.00 0.00 C ATOM 245 O CYS A 17 -9.023 -6.420 -6.997 1.00 0.00 O ATOM 246 CB CYS A 17 -8.235 -3.135 -6.432 1.00 0.00 C ATOM 247 SG CYS A 17 -7.037 -1.907 -5.851 1.00 0.00 S ATOM 0 H CYS A 17 -6.591 -5.123 -6.987 1.00 0.00 H new ATOM 0 HA CYS A 17 -8.428 -4.417 -4.702 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -8.076 -3.276 -7.501 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -9.232 -2.711 -6.311 1.00 0.00 H new ATOM 252 N PRO A 18 -10.579 -5.085 -6.143 1.00 0.00 N ATOM 253 CA PRO A 18 -11.691 -5.524 -7.036 1.00 0.00 C ATOM 254 C PRO A 18 -11.529 -4.915 -8.446 1.00 0.00 C ATOM 255 O PRO A 18 -10.762 -3.989 -8.635 1.00 0.00 O ATOM 256 CB PRO A 18 -12.981 -5.069 -6.343 1.00 0.00 C ATOM 257 CG PRO A 18 -12.582 -4.355 -5.034 1.00 0.00 C ATOM 258 CD PRO A 18 -11.050 -4.249 -4.995 1.00 0.00 C ATOM 0 HA PRO A 18 -11.701 -6.604 -7.187 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -13.546 -4.397 -6.989 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -13.624 -5.923 -6.132 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -13.033 -3.364 -4.988 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -12.947 -4.911 -4.171 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -10.722 -3.215 -5.099 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -10.652 -4.616 -4.049 1.00 0.00 H new ATOM 266 N ARG A 19 -12.267 -5.466 -9.382 1.00 0.00 N ATOM 267 CA ARG A 19 -12.254 -5.015 -10.821 1.00 0.00 C ATOM 268 C ARG A 19 -10.844 -4.675 -11.344 1.00 0.00 C ATOM 269 O ARG A 19 -10.558 -3.625 -11.887 1.00 0.00 O ATOM 270 CB ARG A 19 -13.192 -3.770 -10.992 1.00 0.00 C ATOM 271 CG ARG A 19 -13.976 -3.437 -9.713 1.00 0.00 C ATOM 272 CD ARG A 19 -14.780 -2.186 -9.969 1.00 0.00 C ATOM 273 NE ARG A 19 -15.802 -2.468 -11.025 1.00 0.00 N ATOM 274 CZ ARG A 19 -16.451 -1.504 -11.631 1.00 0.00 C ATOM 275 NH1 ARG A 19 -16.224 -0.255 -11.327 1.00 0.00 N ATOM 276 NH2 ARG A 19 -17.325 -1.834 -12.542 1.00 0.00 N ATOM 0 H ARG A 19 -12.905 -6.242 -9.203 1.00 0.00 H new ATOM 0 HA ARG A 19 -12.615 -5.855 -11.415 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -12.593 -2.906 -11.281 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -13.894 -3.958 -11.805 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -14.633 -4.264 -9.443 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -13.294 -3.287 -8.876 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -15.268 -1.858 -9.051 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -14.124 -1.376 -10.288 1.00 0.00 H new ATOM 0 HE ARG A 19 -15.999 -3.436 -11.280 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -15.536 -0.021 -10.611 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -16.735 0.487 -11.805 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -17.485 -2.817 -12.763 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -17.848 -1.109 -13.033 1.00 0.00 H new ATOM 290 N SER A 20 -10.007 -5.645 -11.132 1.00 0.00 N ATOM 291 CA SER A 20 -8.576 -5.588 -11.538 1.00 0.00 C ATOM 292 C SER A 20 -8.091 -7.034 -11.724 1.00 0.00 C ATOM 293 O SER A 20 -7.765 -7.737 -10.785 1.00 0.00 O ATOM 294 CB SER A 20 -7.765 -4.850 -10.438 1.00 0.00 C ATOM 295 OG SER A 20 -8.036 -5.543 -9.230 1.00 0.00 O ATOM 0 H SER A 20 -10.268 -6.517 -10.672 1.00 0.00 H new ATOM 0 HA SER A 20 -8.442 -5.041 -12.471 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.699 -4.860 -10.664 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.065 -3.805 -10.365 1.00 0.00 H new ATOM 0 HG SER A 20 -8.106 -6.503 -9.412 1.00 0.00 H new ATOM 301 N GLU A 21 -8.072 -7.415 -12.973 1.00 0.00 N ATOM 302 CA GLU A 21 -7.645 -8.763 -13.405 1.00 0.00 C ATOM 303 C GLU A 21 -6.125 -8.850 -13.255 1.00 0.00 C ATOM 304 O GLU A 21 -5.395 -7.911 -13.505 1.00 0.00 O ATOM 305 CB GLU A 21 -8.091 -8.954 -14.878 1.00 0.00 C ATOM 306 CG GLU A 21 -7.939 -10.425 -15.372 1.00 0.00 C ATOM 307 CD GLU A 21 -6.465 -10.870 -15.483 1.00 0.00 C ATOM 308 OE1 GLU A 21 -5.730 -10.173 -16.162 1.00 0.00 O ATOM 309 OE2 GLU A 21 -6.156 -11.888 -14.883 1.00 0.00 O ATOM 0 H GLU A 21 -8.351 -6.809 -13.744 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.095 -9.552 -12.802 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.132 -8.648 -14.980 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.502 -8.298 -15.519 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.464 -11.090 -14.686 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.419 -10.528 -16.345 1.00 0.00 H new ATOM 316 N GLU A 22 -5.750 -10.024 -12.837 1.00 0.00 N ATOM 317 CA GLU A 22 -4.331 -10.435 -12.582 1.00 0.00 C ATOM 318 C GLU A 22 -3.987 -9.828 -11.222 1.00 0.00 C ATOM 319 O GLU A 22 -3.841 -8.628 -11.083 1.00 0.00 O ATOM 320 CB GLU A 22 -3.361 -9.878 -13.687 1.00 0.00 C ATOM 321 CG GLU A 22 -2.377 -10.984 -14.126 1.00 0.00 C ATOM 322 CD GLU A 22 -3.126 -12.084 -14.903 1.00 0.00 C ATOM 323 OE1 GLU A 22 -3.349 -11.858 -16.081 1.00 0.00 O ATOM 324 OE2 GLU A 22 -3.440 -13.086 -14.280 1.00 0.00 O ATOM 0 H GLU A 22 -6.418 -10.772 -12.647 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.220 -11.519 -12.600 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.935 -9.528 -14.545 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.810 -9.020 -13.301 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.593 -10.556 -14.751 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.888 -11.414 -13.252 1.00 0.00 H new ATOM 331 N LYS A 23 -3.875 -10.702 -10.256 1.00 0.00 N ATOM 332 CA LYS A 23 -3.553 -10.292 -8.860 1.00 0.00 C ATOM 333 C LYS A 23 -2.090 -9.801 -8.761 1.00 0.00 C ATOM 334 O LYS A 23 -1.802 -8.705 -9.203 1.00 0.00 O ATOM 335 CB LYS A 23 -3.841 -11.533 -7.978 1.00 0.00 C ATOM 336 CG LYS A 23 -5.296 -11.535 -7.430 1.00 0.00 C ATOM 337 CD LYS A 23 -6.349 -11.713 -8.570 1.00 0.00 C ATOM 338 CE LYS A 23 -6.813 -10.358 -9.163 1.00 0.00 C ATOM 339 NZ LYS A 23 -7.723 -10.598 -10.319 1.00 0.00 N ATOM 0 H LYS A 23 -3.997 -11.707 -10.382 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.157 -9.450 -8.523 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.672 -12.439 -8.561 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.140 -11.555 -7.144 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -5.409 -12.339 -6.703 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.486 -10.600 -6.903 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.921 -12.326 -9.363 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.213 -12.252 -8.182 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -7.326 -9.773 -8.400 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.949 -9.776 -9.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -7.950 -9.692 -10.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.255 -11.224 -11.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -8.600 -11.046 -9.984 1.00 0.00 H new ATOM 353 N LYS A 24 -1.209 -10.595 -8.200 1.00 0.00 N ATOM 354 CA LYS A 24 0.223 -10.182 -8.075 1.00 0.00 C ATOM 355 C LYS A 24 0.963 -10.758 -9.284 1.00 0.00 C ATOM 356 O LYS A 24 1.380 -11.901 -9.290 1.00 0.00 O ATOM 357 CB LYS A 24 0.872 -10.731 -6.747 1.00 0.00 C ATOM 358 CG LYS A 24 0.070 -11.861 -6.053 1.00 0.00 C ATOM 359 CD LYS A 24 -1.110 -11.256 -5.252 1.00 0.00 C ATOM 360 CE LYS A 24 -1.925 -12.377 -4.576 1.00 0.00 C ATOM 361 NZ LYS A 24 -2.500 -13.303 -5.594 1.00 0.00 N ATOM 0 H LYS A 24 -1.423 -11.517 -7.821 1.00 0.00 H new ATOM 0 HA LYS A 24 0.291 -9.095 -8.041 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.872 -11.100 -6.973 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.988 -9.904 -6.047 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.307 -12.562 -6.798 1.00 0.00 H new ATOM 0 HG3 LYS A 24 0.722 -12.425 -5.386 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.731 -10.566 -4.498 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.753 -10.679 -5.917 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.286 -12.934 -3.891 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.727 -11.941 -3.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -3.538 -13.252 -5.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.168 -13.028 -6.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.195 -14.276 -5.390 1.00 0.00 H new ATOM 375 N ASN A 25 1.089 -9.919 -10.279 1.00 0.00 N ATOM 376 CA ASN A 25 1.780 -10.305 -11.543 1.00 0.00 C ATOM 377 C ASN A 25 2.537 -9.105 -12.133 1.00 0.00 C ATOM 378 O ASN A 25 2.946 -9.131 -13.278 1.00 0.00 O ATOM 379 CB ASN A 25 0.707 -10.821 -12.530 1.00 0.00 C ATOM 380 CG ASN A 25 0.754 -12.350 -12.595 1.00 0.00 C ATOM 381 OD1 ASN A 25 1.369 -12.931 -13.467 1.00 0.00 O ATOM 382 ND2 ASN A 25 0.115 -13.038 -11.689 1.00 0.00 N ATOM 0 H ASN A 25 0.734 -8.963 -10.267 1.00 0.00 H new ATOM 0 HA ASN A 25 2.515 -11.086 -11.350 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -0.282 -10.492 -12.211 1.00 0.00 H new ATOM 0 HB3 ASN A 25 0.879 -10.400 -13.521 1.00 0.00 H new ATOM 0 HD21 ASN A 25 0.134 -14.057 -11.716 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -0.403 -12.556 -10.954 1.00 0.00 H new ATOM 389 N ASP A 26 2.703 -8.095 -11.318 1.00 0.00 N ATOM 390 CA ASP A 26 3.417 -6.851 -11.739 1.00 0.00 C ATOM 391 C ASP A 26 3.624 -5.960 -10.509 1.00 0.00 C ATOM 392 O ASP A 26 2.669 -5.534 -9.889 1.00 0.00 O ATOM 393 CB ASP A 26 2.572 -6.083 -12.795 1.00 0.00 C ATOM 394 CG ASP A 26 3.160 -6.286 -14.203 1.00 0.00 C ATOM 395 OD1 ASP A 26 4.241 -5.763 -14.420 1.00 0.00 O ATOM 396 OD2 ASP A 26 2.497 -6.950 -14.983 1.00 0.00 O ATOM 0 H ASP A 26 2.366 -8.080 -10.356 1.00 0.00 H new ATOM 0 HA ASP A 26 4.379 -7.115 -12.179 1.00 0.00 H new ATOM 0 HB2 ASP A 26 1.541 -6.435 -12.770 1.00 0.00 H new ATOM 0 HB3 ASP A 26 2.552 -5.021 -12.552 1.00 0.00 H new ATOM 401 N ARG A 27 4.871 -5.711 -10.198 1.00 0.00 N ATOM 402 CA ARG A 27 5.204 -4.852 -9.023 1.00 0.00 C ATOM 403 C ARG A 27 5.165 -3.392 -9.519 1.00 0.00 C ATOM 404 O ARG A 27 6.163 -2.810 -9.897 1.00 0.00 O ATOM 405 CB ARG A 27 6.606 -5.281 -8.506 1.00 0.00 C ATOM 406 CG ARG A 27 7.183 -4.245 -7.507 1.00 0.00 C ATOM 407 CD ARG A 27 8.486 -4.770 -6.887 1.00 0.00 C ATOM 408 NE ARG A 27 8.164 -5.862 -5.910 1.00 0.00 N ATOM 409 CZ ARG A 27 8.248 -7.137 -6.207 1.00 0.00 C ATOM 410 NH1 ARG A 27 8.618 -7.532 -7.396 1.00 0.00 N ATOM 411 NH2 ARG A 27 7.952 -7.995 -5.270 1.00 0.00 N ATOM 0 H ARG A 27 5.677 -6.068 -10.711 1.00 0.00 H new ATOM 0 HA ARG A 27 4.505 -4.954 -8.193 1.00 0.00 H new ATOM 0 HB2 ARG A 27 6.534 -6.255 -8.022 1.00 0.00 H new ATOM 0 HB3 ARG A 27 7.287 -5.394 -9.349 1.00 0.00 H new ATOM 0 HG2 ARG A 27 7.371 -3.301 -8.019 1.00 0.00 H new ATOM 0 HG3 ARG A 27 6.455 -4.042 -6.722 1.00 0.00 H new ATOM 0 HD2 ARG A 27 9.147 -5.147 -7.667 1.00 0.00 H new ATOM 0 HD3 ARG A 27 9.015 -3.961 -6.384 1.00 0.00 H new ATOM 0 HE ARG A 27 7.866 -5.601 -4.970 1.00 0.00 H new ATOM 0 HH11 ARG A 27 8.848 -6.844 -8.113 1.00 0.00 H new ATOM 0 HH12 ARG A 27 8.677 -8.528 -7.607 1.00 0.00 H new ATOM 0 HH21 ARG A 27 7.668 -7.665 -4.348 1.00 0.00 H new ATOM 0 HH22 ARG A 27 8.004 -8.996 -5.460 1.00 0.00 H new ATOM 425 N ILE A 28 3.970 -2.858 -9.503 1.00 0.00 N ATOM 426 CA ILE A 28 3.712 -1.460 -9.941 1.00 0.00 C ATOM 427 C ILE A 28 4.312 -0.452 -8.941 1.00 0.00 C ATOM 428 O ILE A 28 4.802 -0.817 -7.891 1.00 0.00 O ATOM 429 CB ILE A 28 2.171 -1.203 -10.048 1.00 0.00 C ATOM 430 CG1 ILE A 28 1.332 -2.491 -10.349 1.00 0.00 C ATOM 431 CG2 ILE A 28 1.885 -0.222 -11.174 1.00 0.00 C ATOM 432 CD1 ILE A 28 0.856 -3.122 -9.031 1.00 0.00 C ATOM 0 H ILE A 28 3.136 -3.356 -9.192 1.00 0.00 H new ATOM 0 HA ILE A 28 4.181 -1.324 -10.915 1.00 0.00 H new ATOM 0 HB ILE A 28 1.877 -0.818 -9.072 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.474 -2.240 -10.973 1.00 0.00 H new ATOM 0 HG13 ILE A 28 1.935 -3.206 -10.908 1.00 0.00 H new ATOM 0 HG21 ILE A 28 0.811 -0.049 -11.242 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.393 0.721 -10.973 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.246 -0.634 -12.116 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.273 -4.017 -9.246 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.720 -3.389 -8.423 1.00 0.00 H new ATOM 0 HD13 ILE A 28 0.237 -2.408 -8.488 1.00 0.00 H new ATOM 444 N CYS A 29 4.244 0.796 -9.321 1.00 0.00 N ATOM 445 CA CYS A 29 4.764 1.915 -8.483 1.00 0.00 C ATOM 446 C CYS A 29 3.538 2.605 -7.886 1.00 0.00 C ATOM 447 O CYS A 29 2.809 3.282 -8.587 1.00 0.00 O ATOM 448 CB CYS A 29 5.546 2.909 -9.347 1.00 0.00 C ATOM 449 SG CYS A 29 5.895 4.505 -8.565 1.00 0.00 S ATOM 0 H CYS A 29 3.836 1.095 -10.207 1.00 0.00 H new ATOM 0 HA CYS A 29 5.438 1.546 -7.709 1.00 0.00 H new ATOM 0 HB2 CYS A 29 6.491 2.450 -9.635 1.00 0.00 H new ATOM 0 HB3 CYS A 29 4.985 3.087 -10.265 1.00 0.00 H new ATOM 454 N THR A 30 3.345 2.411 -6.606 1.00 0.00 N ATOM 455 CA THR A 30 2.175 3.035 -5.920 1.00 0.00 C ATOM 456 C THR A 30 2.364 3.054 -4.394 1.00 0.00 C ATOM 457 O THR A 30 3.250 2.417 -3.853 1.00 0.00 O ATOM 458 CB THR A 30 0.907 2.226 -6.335 1.00 0.00 C ATOM 459 OG1 THR A 30 -0.189 2.825 -5.658 1.00 0.00 O ATOM 460 CG2 THR A 30 0.964 0.764 -5.842 1.00 0.00 C ATOM 0 H THR A 30 3.948 1.847 -6.007 1.00 0.00 H new ATOM 0 HA THR A 30 2.069 4.077 -6.221 1.00 0.00 H new ATOM 0 HB THR A 30 0.827 2.233 -7.422 1.00 0.00 H new ATOM 0 HG1 THR A 30 -0.886 2.153 -5.505 1.00 0.00 H new ATOM 0 HG21 THR A 30 0.061 0.239 -6.154 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.837 0.270 -6.269 1.00 0.00 H new ATOM 0 HG23 THR A 30 1.035 0.749 -4.754 1.00 0.00 H new ATOM 468 N ASN A 31 1.502 3.805 -3.760 1.00 0.00 N ATOM 469 CA ASN A 31 1.516 3.955 -2.274 1.00 0.00 C ATOM 470 C ASN A 31 0.118 3.648 -1.720 1.00 0.00 C ATOM 471 O ASN A 31 -0.861 3.783 -2.428 1.00 0.00 O ATOM 472 CB ASN A 31 1.943 5.405 -1.925 1.00 0.00 C ATOM 473 CG ASN A 31 1.025 6.467 -2.554 1.00 0.00 C ATOM 474 OD1 ASN A 31 0.287 6.221 -3.486 1.00 0.00 O ATOM 475 ND2 ASN A 31 1.048 7.676 -2.066 1.00 0.00 N ATOM 0 H ASN A 31 0.766 4.337 -4.225 1.00 0.00 H new ATOM 0 HA ASN A 31 2.224 3.259 -1.825 1.00 0.00 H new ATOM 0 HB2 ASN A 31 1.943 5.528 -0.842 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.966 5.569 -2.265 1.00 0.00 H new ATOM 0 HD21 ASN A 31 0.451 8.399 -2.467 1.00 0.00 H new ATOM 0 HD22 ASN A 31 1.663 7.898 -1.283 1.00 0.00 H new ATOM 482 N CYS A 32 0.073 3.248 -0.471 1.00 0.00 N ATOM 483 CA CYS A 32 -1.231 2.915 0.193 1.00 0.00 C ATOM 484 C CYS A 32 -2.291 4.007 -0.015 1.00 0.00 C ATOM 485 O CYS A 32 -3.472 3.719 -0.077 1.00 0.00 O ATOM 486 CB CYS A 32 -1.001 2.722 1.705 1.00 0.00 C ATOM 487 SG CYS A 32 -2.509 2.502 2.681 1.00 0.00 S ATOM 0 H CYS A 32 0.894 3.136 0.125 1.00 0.00 H new ATOM 0 HA CYS A 32 -1.603 1.998 -0.264 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -0.360 1.853 1.853 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -0.460 3.587 2.089 1.00 0.00 H new ATOM 492 N CYS A 33 -1.826 5.228 -0.120 1.00 0.00 N ATOM 493 CA CYS A 33 -2.748 6.385 -0.326 1.00 0.00 C ATOM 494 C CYS A 33 -3.468 6.200 -1.674 1.00 0.00 C ATOM 495 O CYS A 33 -4.681 6.158 -1.713 1.00 0.00 O ATOM 496 CB CYS A 33 -1.922 7.684 -0.329 1.00 0.00 C ATOM 497 SG CYS A 33 -2.798 9.269 -0.310 1.00 0.00 S ATOM 0 H CYS A 33 -0.837 5.473 -0.071 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.488 6.440 0.472 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.264 7.659 0.539 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -1.285 7.669 -1.213 1.00 0.00 H new ATOM 502 N ALA A 34 -2.693 6.093 -2.730 1.00 0.00 N ATOM 503 CA ALA A 34 -3.269 5.910 -4.104 1.00 0.00 C ATOM 504 C ALA A 34 -4.208 4.704 -4.164 1.00 0.00 C ATOM 505 O ALA A 34 -5.213 4.753 -4.847 1.00 0.00 O ATOM 506 CB ALA A 34 -2.123 5.721 -5.107 1.00 0.00 C ATOM 0 H ALA A 34 -1.674 6.125 -2.698 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.850 6.798 -4.354 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -2.534 5.587 -6.108 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -1.479 6.600 -5.093 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.541 4.841 -4.833 1.00 0.00 H new ATOM 512 N GLY A 35 -3.852 3.660 -3.451 1.00 0.00 N ATOM 513 CA GLY A 35 -4.685 2.432 -3.423 1.00 0.00 C ATOM 514 C GLY A 35 -6.102 2.791 -2.992 1.00 0.00 C ATOM 515 O GLY A 35 -6.280 3.753 -2.271 1.00 0.00 O ATOM 0 H GLY A 35 -3.006 3.614 -2.882 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.700 1.967 -4.409 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.257 1.704 -2.734 1.00 0.00 H new ATOM 519 N THR A 36 -7.060 2.019 -3.438 1.00 0.00 N ATOM 520 CA THR A 36 -8.477 2.302 -3.066 1.00 0.00 C ATOM 521 C THR A 36 -8.877 1.483 -1.839 1.00 0.00 C ATOM 522 O THR A 36 -8.129 0.656 -1.356 1.00 0.00 O ATOM 523 CB THR A 36 -9.427 1.936 -4.222 1.00 0.00 C ATOM 524 OG1 THR A 36 -8.705 2.166 -5.425 1.00 0.00 O ATOM 525 CG2 THR A 36 -10.599 2.935 -4.342 1.00 0.00 C ATOM 0 H THR A 36 -6.922 1.208 -4.041 1.00 0.00 H new ATOM 0 HA THR A 36 -8.556 3.367 -2.848 1.00 0.00 H new ATOM 0 HB THR A 36 -9.782 0.919 -4.054 1.00 0.00 H new ATOM 0 HG1 THR A 36 -9.271 1.944 -6.194 1.00 0.00 H new ATOM 0 HG21 THR A 36 -11.245 2.640 -5.169 1.00 0.00 H new ATOM 0 HG22 THR A 36 -11.173 2.935 -3.416 1.00 0.00 H new ATOM 0 HG23 THR A 36 -10.207 3.935 -4.526 1.00 0.00 H new ATOM 533 N LYS A 37 -10.068 1.743 -1.377 1.00 0.00 N ATOM 534 CA LYS A 37 -10.595 1.018 -0.183 1.00 0.00 C ATOM 535 C LYS A 37 -11.055 -0.354 -0.680 1.00 0.00 C ATOM 536 O LYS A 37 -11.691 -0.456 -1.712 1.00 0.00 O ATOM 537 CB LYS A 37 -11.792 1.792 0.448 1.00 0.00 C ATOM 538 CG LYS A 37 -11.706 3.320 0.176 1.00 0.00 C ATOM 539 CD LYS A 37 -12.903 4.052 0.824 1.00 0.00 C ATOM 540 CE LYS A 37 -12.850 3.975 2.365 1.00 0.00 C ATOM 541 NZ LYS A 37 -14.021 4.691 2.943 1.00 0.00 N ATOM 0 H LYS A 37 -10.705 2.432 -1.777 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.829 0.927 0.587 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.727 1.404 0.045 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.811 1.616 1.523 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.771 3.715 0.575 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.697 3.504 -0.898 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.904 5.096 0.511 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -13.835 3.612 0.469 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -12.853 2.934 2.687 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.924 4.419 2.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -13.983 4.638 3.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -13.999 5.688 2.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -14.900 4.248 2.606 1.00 0.00 H new ATOM 555 N GLY A 38 -10.713 -1.365 0.074 1.00 0.00 N ATOM 556 CA GLY A 38 -11.088 -2.763 -0.291 1.00 0.00 C ATOM 557 C GLY A 38 -9.873 -3.459 -0.922 1.00 0.00 C ATOM 558 O GLY A 38 -9.773 -4.671 -0.889 1.00 0.00 O ATOM 0 H GLY A 38 -10.182 -1.280 0.940 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -11.416 -3.308 0.594 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -11.924 -2.758 -0.990 1.00 0.00 H new ATOM 562 N CYS A 39 -8.985 -2.668 -1.480 1.00 0.00 N ATOM 563 CA CYS A 39 -7.752 -3.208 -2.127 1.00 0.00 C ATOM 564 C CYS A 39 -6.854 -3.861 -1.075 1.00 0.00 C ATOM 565 O CYS A 39 -7.152 -3.827 0.102 1.00 0.00 O ATOM 566 CB CYS A 39 -7.013 -2.053 -2.815 1.00 0.00 C ATOM 567 SG CYS A 39 -7.834 -1.151 -4.154 1.00 0.00 S ATOM 0 H CYS A 39 -9.068 -1.652 -1.513 1.00 0.00 H new ATOM 0 HA CYS A 39 -8.019 -3.963 -2.866 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -6.748 -1.328 -2.045 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -6.079 -2.451 -3.212 1.00 0.00 H new ATOM 572 N LYS A 40 -5.785 -4.447 -1.546 1.00 0.00 N ATOM 573 CA LYS A 40 -4.807 -5.130 -0.644 1.00 0.00 C ATOM 574 C LYS A 40 -3.394 -4.756 -1.105 1.00 0.00 C ATOM 575 O LYS A 40 -2.826 -5.401 -1.962 1.00 0.00 O ATOM 576 CB LYS A 40 -5.030 -6.660 -0.731 1.00 0.00 C ATOM 577 CG LYS A 40 -6.486 -6.994 -0.308 1.00 0.00 C ATOM 578 CD LYS A 40 -6.801 -8.511 -0.400 1.00 0.00 C ATOM 579 CE LYS A 40 -6.067 -9.328 0.686 1.00 0.00 C ATOM 580 NZ LYS A 40 -4.604 -9.399 0.416 1.00 0.00 N ATOM 0 H LYS A 40 -5.543 -4.482 -2.536 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.941 -4.820 0.392 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -4.846 -7.008 -1.747 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.323 -7.179 -0.083 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.651 -6.654 0.714 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.180 -6.443 -0.943 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.876 -8.663 -0.302 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.515 -8.880 -1.385 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.237 -8.874 1.662 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -6.480 -10.336 0.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -4.256 -10.354 0.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -4.425 -9.189 -0.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -4.107 -8.704 1.009 1.00 0.00 H new ATOM 594 N TYR A 41 -2.874 -3.714 -0.506 1.00 0.00 N ATOM 595 CA TYR A 41 -1.510 -3.205 -0.829 1.00 0.00 C ATOM 596 C TYR A 41 -0.434 -3.888 0.012 1.00 0.00 C ATOM 597 O TYR A 41 -0.418 -3.735 1.216 1.00 0.00 O ATOM 598 CB TYR A 41 -1.499 -1.682 -0.581 1.00 0.00 C ATOM 599 CG TYR A 41 -1.828 -0.913 -1.870 1.00 0.00 C ATOM 600 CD1 TYR A 41 -2.894 -1.253 -2.685 1.00 0.00 C ATOM 601 CD2 TYR A 41 -1.024 0.147 -2.233 1.00 0.00 C ATOM 602 CE1 TYR A 41 -3.142 -0.541 -3.841 1.00 0.00 C ATOM 603 CE2 TYR A 41 -1.273 0.854 -3.383 1.00 0.00 C ATOM 604 CZ TYR A 41 -2.331 0.517 -4.197 1.00 0.00 C ATOM 605 OH TYR A 41 -2.567 1.233 -5.353 1.00 0.00 O ATOM 0 H TYR A 41 -3.357 -3.180 0.217 1.00 0.00 H new ATOM 0 HA TYR A 41 -1.282 -3.428 -1.871 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -2.225 -1.430 0.192 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -0.520 -1.377 -0.211 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -3.535 -2.079 -2.415 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -0.190 0.424 -1.606 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -3.976 -0.814 -4.471 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -0.633 1.682 -3.652 1.00 0.00 H new ATOM 0 HH TYR A 41 -3.350 0.863 -5.813 1.00 0.00 H new ATOM 615 N PHE A 42 0.425 -4.620 -0.657 1.00 0.00 N ATOM 616 CA PHE A 42 1.537 -5.351 0.011 1.00 0.00 C ATOM 617 C PHE A 42 2.925 -4.940 -0.476 1.00 0.00 C ATOM 618 O PHE A 42 3.108 -4.392 -1.551 1.00 0.00 O ATOM 619 CB PHE A 42 1.423 -6.864 -0.224 1.00 0.00 C ATOM 620 CG PHE A 42 0.265 -7.273 -1.135 1.00 0.00 C ATOM 621 CD1 PHE A 42 0.214 -6.898 -2.463 1.00 0.00 C ATOM 622 CD2 PHE A 42 -0.742 -8.050 -0.610 1.00 0.00 C ATOM 623 CE1 PHE A 42 -0.844 -7.306 -3.251 1.00 0.00 C ATOM 624 CE2 PHE A 42 -1.795 -8.458 -1.392 1.00 0.00 C ATOM 625 CZ PHE A 42 -1.845 -8.086 -2.714 1.00 0.00 C ATOM 0 H PHE A 42 0.396 -4.741 -1.669 1.00 0.00 H new ATOM 0 HA PHE A 42 1.437 -5.093 1.065 1.00 0.00 H new ATOM 0 HB2 PHE A 42 2.356 -7.224 -0.658 1.00 0.00 H new ATOM 0 HB3 PHE A 42 1.306 -7.362 0.739 1.00 0.00 H new ATOM 0 HD1 PHE A 42 0.999 -6.288 -2.884 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -0.704 -8.342 0.429 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -0.887 -7.013 -4.290 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -2.580 -9.068 -0.970 1.00 0.00 H new ATOM 0 HZ PHE A 42 -2.670 -8.406 -3.333 1.00 0.00 H new ATOM 635 N SER A 43 3.837 -5.261 0.407 1.00 0.00 N ATOM 636 CA SER A 43 5.284 -5.014 0.248 1.00 0.00 C ATOM 637 C SER A 43 5.939 -5.903 -0.821 1.00 0.00 C ATOM 638 O SER A 43 5.312 -6.740 -1.442 1.00 0.00 O ATOM 639 CB SER A 43 5.945 -5.276 1.584 1.00 0.00 C ATOM 640 OG SER A 43 5.288 -4.463 2.540 1.00 0.00 O ATOM 0 H SER A 43 3.606 -5.716 1.290 1.00 0.00 H new ATOM 0 HA SER A 43 5.415 -3.984 -0.083 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.865 -6.329 1.854 1.00 0.00 H new ATOM 0 HB3 SER A 43 7.008 -5.038 1.541 1.00 0.00 H new ATOM 0 HG SER A 43 5.483 -3.520 2.357 1.00 0.00 H new ATOM 646 N ASP A 44 7.217 -5.656 -0.967 1.00 0.00 N ATOM 647 CA ASP A 44 8.083 -6.383 -1.947 1.00 0.00 C ATOM 648 C ASP A 44 8.275 -7.835 -1.514 1.00 0.00 C ATOM 649 O ASP A 44 8.166 -8.750 -2.307 1.00 0.00 O ATOM 650 CB ASP A 44 9.447 -5.662 -2.018 1.00 0.00 C ATOM 651 CG ASP A 44 9.890 -5.533 -3.481 1.00 0.00 C ATOM 652 OD1 ASP A 44 10.334 -6.541 -4.005 1.00 0.00 O ATOM 653 OD2 ASP A 44 9.759 -4.431 -3.988 1.00 0.00 O ATOM 0 H ASP A 44 7.715 -4.951 -0.424 1.00 0.00 H new ATOM 0 HA ASP A 44 7.610 -6.385 -2.929 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.371 -4.674 -1.563 1.00 0.00 H new ATOM 0 HB3 ASP A 44 10.193 -6.218 -1.450 1.00 0.00 H new ATOM 658 N ASP A 45 8.560 -7.971 -0.245 1.00 0.00 N ATOM 659 CA ASP A 45 8.785 -9.309 0.377 1.00 0.00 C ATOM 660 C ASP A 45 7.491 -10.141 0.377 1.00 0.00 C ATOM 661 O ASP A 45 7.514 -11.314 0.699 1.00 0.00 O ATOM 662 CB ASP A 45 9.291 -9.068 1.815 1.00 0.00 C ATOM 663 CG ASP A 45 9.454 -10.399 2.573 1.00 0.00 C ATOM 664 OD1 ASP A 45 10.444 -11.060 2.306 1.00 0.00 O ATOM 665 OD2 ASP A 45 8.575 -10.677 3.373 1.00 0.00 O ATOM 0 H ASP A 45 8.648 -7.188 0.403 1.00 0.00 H new ATOM 0 HA ASP A 45 9.521 -9.876 -0.194 1.00 0.00 H new ATOM 0 HB2 ASP A 45 10.246 -8.543 1.785 1.00 0.00 H new ATOM 0 HB3 ASP A 45 8.590 -8.425 2.348 1.00 0.00 H new ATOM 670 N GLY A 46 6.400 -9.513 0.013 1.00 0.00 N ATOM 671 CA GLY A 46 5.098 -10.205 -0.020 1.00 0.00 C ATOM 672 C GLY A 46 4.655 -10.220 1.435 1.00 0.00 C ATOM 673 O GLY A 46 4.662 -11.245 2.091 1.00 0.00 O ATOM 0 H GLY A 46 6.368 -8.532 -0.266 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.381 -9.678 -0.650 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.192 -11.215 -0.419 1.00 0.00 H new ATOM 677 N THR A 47 4.284 -9.046 1.875 1.00 0.00 N ATOM 678 CA THR A 47 3.823 -8.822 3.256 1.00 0.00 C ATOM 679 C THR A 47 2.874 -7.620 3.241 1.00 0.00 C ATOM 680 O THR A 47 3.277 -6.486 3.067 1.00 0.00 O ATOM 681 CB THR A 47 5.049 -8.544 4.138 1.00 0.00 C ATOM 682 OG1 THR A 47 5.829 -9.731 4.100 1.00 0.00 O ATOM 683 CG2 THR A 47 4.668 -8.372 5.620 1.00 0.00 C ATOM 0 H THR A 47 4.286 -8.204 1.299 1.00 0.00 H new ATOM 0 HA THR A 47 3.298 -9.691 3.654 1.00 0.00 H new ATOM 0 HB THR A 47 5.544 -7.642 3.778 1.00 0.00 H new ATOM 0 HG1 THR A 47 6.721 -9.525 3.751 1.00 0.00 H new ATOM 0 HG21 THR A 47 5.566 -8.177 6.206 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.978 -7.534 5.724 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.190 -9.283 5.981 1.00 0.00 H new ATOM 691 N PHE A 48 1.625 -7.950 3.432 1.00 0.00 N ATOM 692 CA PHE A 48 0.515 -6.955 3.458 1.00 0.00 C ATOM 693 C PHE A 48 0.803 -5.711 4.314 1.00 0.00 C ATOM 694 O PHE A 48 1.133 -5.814 5.480 1.00 0.00 O ATOM 695 CB PHE A 48 -0.739 -7.689 3.974 1.00 0.00 C ATOM 696 CG PHE A 48 -1.944 -6.737 4.035 1.00 0.00 C ATOM 697 CD1 PHE A 48 -2.149 -5.947 5.153 1.00 0.00 C ATOM 698 CD2 PHE A 48 -2.836 -6.661 2.981 1.00 0.00 C ATOM 699 CE1 PHE A 48 -3.225 -5.094 5.218 1.00 0.00 C ATOM 700 CE2 PHE A 48 -3.915 -5.806 3.047 1.00 0.00 C ATOM 701 CZ PHE A 48 -4.107 -5.024 4.165 1.00 0.00 C ATOM 0 H PHE A 48 1.317 -8.912 3.577 1.00 0.00 H new ATOM 0 HA PHE A 48 0.378 -6.569 2.448 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -0.968 -8.531 3.320 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -0.544 -8.099 4.965 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -1.458 -6.001 5.981 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -2.687 -7.273 2.104 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.377 -4.480 6.094 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -4.610 -5.749 2.222 1.00 0.00 H new ATOM 0 HZ PHE A 48 -4.953 -4.354 4.215 1.00 0.00 H new ATOM 711 N VAL A 49 0.662 -4.576 3.676 1.00 0.00 N ATOM 712 CA VAL A 49 0.890 -3.258 4.354 1.00 0.00 C ATOM 713 C VAL A 49 -0.460 -2.597 4.691 1.00 0.00 C ATOM 714 O VAL A 49 -0.668 -2.238 5.836 1.00 0.00 O ATOM 715 CB VAL A 49 1.690 -2.314 3.423 1.00 0.00 C ATOM 716 CG1 VAL A 49 2.006 -0.983 4.155 1.00 0.00 C ATOM 717 CG2 VAL A 49 3.004 -2.982 3.031 1.00 0.00 C ATOM 0 H VAL A 49 0.393 -4.504 2.695 1.00 0.00 H new ATOM 0 HA VAL A 49 1.452 -3.434 5.271 1.00 0.00 H new ATOM 0 HB VAL A 49 1.093 -2.108 2.535 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.569 -0.327 3.491 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.074 -0.496 4.442 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.597 -1.190 5.047 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.568 -2.318 2.376 1.00 0.00 H new ATOM 0 HG22 VAL A 49 3.588 -3.189 3.927 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.796 -3.916 2.509 1.00 0.00 H new ATOM 727 N CYS A 50 -1.341 -2.443 3.728 1.00 0.00 N ATOM 728 CA CYS A 50 -2.661 -1.800 4.030 1.00 0.00 C ATOM 729 C CYS A 50 -3.648 -2.252 2.964 1.00 0.00 C ATOM 730 O CYS A 50 -3.277 -2.979 2.065 1.00 0.00 O ATOM 731 CB CYS A 50 -2.539 -0.259 3.983 1.00 0.00 C ATOM 732 SG CYS A 50 -2.986 0.556 2.428 1.00 0.00 S ATOM 0 H CYS A 50 -1.206 -2.731 2.759 1.00 0.00 H new ATOM 0 HA CYS A 50 -2.993 -2.089 5.027 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -3.165 0.154 4.774 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -1.509 0.006 4.220 1.00 0.00 H new ATOM 737 N GLU A 51 -4.873 -1.812 3.097 1.00 0.00 N ATOM 738 CA GLU A 51 -5.923 -2.190 2.104 1.00 0.00 C ATOM 739 C GLU A 51 -6.232 -0.916 1.292 1.00 0.00 C ATOM 740 O GLU A 51 -7.361 -0.477 1.183 1.00 0.00 O ATOM 741 CB GLU A 51 -7.209 -2.698 2.855 1.00 0.00 C ATOM 742 CG GLU A 51 -7.139 -2.501 4.390 1.00 0.00 C ATOM 743 CD GLU A 51 -8.392 -3.122 5.032 1.00 0.00 C ATOM 744 OE1 GLU A 51 -9.405 -2.441 5.027 1.00 0.00 O ATOM 745 OE2 GLU A 51 -8.266 -4.246 5.492 1.00 0.00 O ATOM 0 H GLU A 51 -5.192 -1.206 3.853 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.588 -2.995 1.449 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.080 -2.170 2.467 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.354 -3.756 2.638 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.240 -2.970 4.789 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.079 -1.440 4.631 1.00 0.00 H new ATOM 752 N GLY A 52 -5.178 -0.368 0.738 1.00 0.00 N ATOM 753 CA GLY A 52 -5.282 0.881 -0.082 1.00 0.00 C ATOM 754 C GLY A 52 -5.942 1.984 0.772 1.00 0.00 C ATOM 755 O GLY A 52 -5.605 2.089 1.934 1.00 0.00 O ATOM 0 H GLY A 52 -4.232 -0.741 0.821 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.293 1.200 -0.411 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -5.872 0.695 -0.980 1.00 0.00 H new ATOM 759 N GLU A 53 -6.836 2.742 0.173 1.00 0.00 N ATOM 760 CA GLU A 53 -7.600 3.869 0.817 1.00 0.00 C ATOM 761 C GLU A 53 -7.805 4.990 -0.216 1.00 0.00 C ATOM 762 O GLU A 53 -7.146 6.012 -0.193 1.00 0.00 O ATOM 763 CB GLU A 53 -6.845 4.470 2.076 1.00 0.00 C ATOM 764 CG GLU A 53 -7.601 5.698 2.671 1.00 0.00 C ATOM 765 CD GLU A 53 -9.103 5.384 2.829 1.00 0.00 C ATOM 766 OE1 GLU A 53 -9.422 4.685 3.776 1.00 0.00 O ATOM 767 OE2 GLU A 53 -9.846 5.863 1.985 1.00 0.00 O ATOM 0 H GLU A 53 -7.083 2.613 -0.808 1.00 0.00 H new ATOM 0 HA GLU A 53 -8.553 3.466 1.160 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -6.743 3.700 2.841 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.837 4.768 1.788 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -7.175 5.961 3.639 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -7.471 6.563 2.020 1.00 0.00 H new ATOM 774 N SER A 54 -8.726 4.731 -1.111 1.00 0.00 N ATOM 775 CA SER A 54 -9.093 5.689 -2.209 1.00 0.00 C ATOM 776 C SER A 54 -7.914 5.944 -3.186 1.00 0.00 C ATOM 777 O SER A 54 -7.925 5.276 -4.206 1.00 0.00 O ATOM 778 CB SER A 54 -9.580 7.029 -1.554 1.00 0.00 C ATOM 779 OG SER A 54 -9.928 7.856 -2.656 1.00 0.00 O ATOM 0 H SER A 54 -9.260 3.862 -1.128 1.00 0.00 H new ATOM 0 HA SER A 54 -9.892 5.250 -2.807 1.00 0.00 H new ATOM 0 HB2 SER A 54 -10.434 6.863 -0.897 1.00 0.00 H new ATOM 0 HB3 SER A 54 -8.796 7.483 -0.949 1.00 0.00 H new ATOM 0 HG SER A 54 -10.248 8.722 -2.327 1.00 0.00 H new TER 785 SER A 54