USER MOD reduce.3.24.130724 H: found=0, std=0, add=440, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 440 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 24 ASN : amide:sc= -2.84 X(o=-4.4,f=-4.7!) USER MOD Set 1.2: A 31 GLN : amide:sc= -1.55 X(o=-4.4,f=-4.8!) USER MOD Single : A 1 ARG N :NH3+ 148:sc= 0.0336 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot -26:sc= 0.525 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot -38:sc= 0.443 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0986 USER MOD Single : A 35 TYR OH : rot 180:sc= -4.68! USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -5.55! C(o=-5.5!,f=-17!) USER MOD Single : A 44 ASN : amide:sc= -7.52! C(o=-7.5!,f=-20!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= -0.825 USER MOD Single : A 52 MET CE :methyl -162:sc= -0.517 (180deg=-1.24) USER MOD Single : A 54 THR OG1 : rot 101:sc= 0.739 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 14.685 -5.877 5.195 1.00 0.00 N ATOM 2 CA ARG A 1 13.442 -5.210 4.713 1.00 0.00 C ATOM 3 C ARG A 1 12.275 -6.206 4.730 1.00 0.00 C ATOM 4 O ARG A 1 12.463 -7.389 4.522 1.00 0.00 O ATOM 5 CB ARG A 1 13.776 -4.747 3.285 1.00 0.00 C ATOM 6 CG ARG A 1 12.531 -4.791 2.391 1.00 0.00 C ATOM 7 CD ARG A 1 12.582 -3.635 1.389 1.00 0.00 C ATOM 8 NE ARG A 1 13.499 -4.103 0.312 1.00 0.00 N ATOM 9 CZ ARG A 1 14.631 -3.488 0.103 1.00 0.00 C ATOM 10 NH1 ARG A 1 15.620 -3.634 0.942 1.00 0.00 N ATOM 11 NH2 ARG A 1 14.774 -2.727 -0.947 1.00 0.00 N ATOM 0 H1 ARG A 1 15.509 -5.465 4.713 1.00 0.00 H new ATOM 0 H2 ARG A 1 14.778 -5.737 6.221 1.00 0.00 H new ATOM 0 H3 ARG A 1 14.636 -6.895 4.987 1.00 0.00 H new ATOM 0 HA ARG A 1 13.136 -4.372 5.339 1.00 0.00 H new ATOM 0 HB2 ARG A 1 14.174 -3.733 3.311 1.00 0.00 H new ATOM 0 HB3 ARG A 1 14.554 -5.384 2.864 1.00 0.00 H new ATOM 0 HG2 ARG A 1 12.483 -5.743 1.862 1.00 0.00 H new ATOM 0 HG3 ARG A 1 11.630 -4.719 3.000 1.00 0.00 H new ATOM 0 HD2 ARG A 1 11.591 -3.410 0.994 1.00 0.00 H new ATOM 0 HD3 ARG A 1 12.954 -2.723 1.856 1.00 0.00 H new ATOM 0 HE ARG A 1 13.242 -4.905 -0.263 1.00 0.00 H new ATOM 0 HH11 ARG A 1 15.509 -4.230 1.763 1.00 0.00 H new ATOM 0 HH12 ARG A 1 16.504 -3.153 0.777 1.00 0.00 H new ATOM 0 HH21 ARG A 1 14.002 -2.613 -1.603 1.00 0.00 H new ATOM 0 HH22 ARG A 1 15.658 -2.246 -1.111 1.00 0.00 H new ATOM 27 N PRO A 2 11.103 -5.684 4.976 1.00 0.00 N ATOM 28 CA PRO A 2 9.877 -6.524 5.022 1.00 0.00 C ATOM 29 C PRO A 2 9.535 -7.072 3.642 1.00 0.00 C ATOM 30 O PRO A 2 10.090 -6.667 2.640 1.00 0.00 O ATOM 31 CB PRO A 2 8.798 -5.559 5.496 1.00 0.00 C ATOM 32 CG PRO A 2 9.307 -4.204 5.126 1.00 0.00 C ATOM 33 CD PRO A 2 10.807 -4.270 5.227 1.00 0.00 C ATOM 0 HA PRO A 2 9.989 -7.393 5.670 1.00 0.00 H new ATOM 0 HB2 PRO A 2 7.842 -5.767 5.015 1.00 0.00 H new ATOM 0 HB3 PRO A 2 8.638 -5.641 6.571 1.00 0.00 H new ATOM 0 HG2 PRO A 2 8.997 -3.936 4.116 1.00 0.00 H new ATOM 0 HG3 PRO A 2 8.906 -3.443 5.795 1.00 0.00 H new ATOM 0 HD2 PRO A 2 11.288 -3.623 4.494 1.00 0.00 H new ATOM 0 HD3 PRO A 2 11.158 -3.954 6.210 1.00 0.00 H new ATOM 41 N ASP A 3 8.617 -7.993 3.587 1.00 0.00 N ATOM 42 CA ASP A 3 8.223 -8.571 2.279 1.00 0.00 C ATOM 43 C ASP A 3 6.818 -8.102 1.904 1.00 0.00 C ATOM 44 O ASP A 3 6.422 -8.171 0.757 1.00 0.00 O ATOM 45 CB ASP A 3 8.250 -10.085 2.491 1.00 0.00 C ATOM 46 CG ASP A 3 9.679 -10.598 2.312 1.00 0.00 C ATOM 47 OD1 ASP A 3 10.460 -10.450 3.236 1.00 0.00 O ATOM 48 OD2 ASP A 3 9.969 -11.128 1.252 1.00 0.00 O ATOM 0 H ASP A 3 8.122 -8.370 4.395 1.00 0.00 H new ATOM 0 HA ASP A 3 8.887 -8.265 1.470 1.00 0.00 H new ATOM 0 HB2 ASP A 3 7.886 -10.330 3.489 1.00 0.00 H new ATOM 0 HB3 ASP A 3 7.584 -10.575 1.780 1.00 0.00 H new ATOM 53 N PHE A 4 6.054 -7.618 2.851 1.00 0.00 N ATOM 54 CA PHE A 4 4.679 -7.155 2.496 1.00 0.00 C ATOM 55 C PHE A 4 4.762 -5.932 1.583 1.00 0.00 C ATOM 56 O PHE A 4 3.862 -5.653 0.817 1.00 0.00 O ATOM 57 CB PHE A 4 3.955 -6.831 3.811 1.00 0.00 C ATOM 58 CG PHE A 4 4.693 -5.778 4.608 1.00 0.00 C ATOM 59 CD1 PHE A 4 4.542 -4.415 4.303 1.00 0.00 C ATOM 60 CD2 PHE A 4 5.508 -6.167 5.677 1.00 0.00 C ATOM 61 CE1 PHE A 4 5.208 -3.453 5.068 1.00 0.00 C ATOM 62 CE2 PHE A 4 6.175 -5.201 6.438 1.00 0.00 C ATOM 63 CZ PHE A 4 6.023 -3.845 6.132 1.00 0.00 C ATOM 0 H PHE A 4 6.315 -7.525 3.833 1.00 0.00 H new ATOM 0 HA PHE A 4 4.128 -7.922 1.952 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.945 -6.483 3.595 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.859 -7.738 4.407 1.00 0.00 H new ATOM 0 HD1 PHE A 4 3.913 -4.111 3.479 1.00 0.00 H new ATOM 0 HD2 PHE A 4 5.622 -7.214 5.915 1.00 0.00 H new ATOM 0 HE1 PHE A 4 5.092 -2.405 4.836 1.00 0.00 H new ATOM 0 HE2 PHE A 4 6.806 -5.502 7.261 1.00 0.00 H new ATOM 0 HZ PHE A 4 6.537 -3.099 6.720 1.00 0.00 H new ATOM 73 N CYS A 5 5.847 -5.212 1.642 1.00 0.00 N ATOM 74 CA CYS A 5 5.997 -4.018 0.761 1.00 0.00 C ATOM 75 C CYS A 5 6.549 -4.443 -0.603 1.00 0.00 C ATOM 76 O CYS A 5 6.443 -3.731 -1.578 1.00 0.00 O ATOM 77 CB CYS A 5 7.006 -3.119 1.477 1.00 0.00 C ATOM 78 SG CYS A 5 6.136 -1.984 2.582 1.00 0.00 S ATOM 0 H CYS A 5 6.636 -5.397 2.261 1.00 0.00 H new ATOM 0 HA CYS A 5 5.047 -3.512 0.587 1.00 0.00 H new ATOM 0 HB2 CYS A 5 7.710 -3.727 2.045 1.00 0.00 H new ATOM 0 HB3 CYS A 5 7.588 -2.556 0.747 1.00 0.00 H new ATOM 83 N LEU A 6 7.150 -5.597 -0.672 1.00 0.00 N ATOM 84 CA LEU A 6 7.727 -6.063 -1.967 1.00 0.00 C ATOM 85 C LEU A 6 6.649 -6.704 -2.844 1.00 0.00 C ATOM 86 O LEU A 6 6.808 -6.833 -4.043 1.00 0.00 O ATOM 87 CB LEU A 6 8.791 -7.090 -1.576 1.00 0.00 C ATOM 88 CG LEU A 6 9.628 -6.536 -0.421 1.00 0.00 C ATOM 89 CD1 LEU A 6 10.804 -7.471 -0.145 1.00 0.00 C ATOM 90 CD2 LEU A 6 10.154 -5.148 -0.793 1.00 0.00 C ATOM 0 H LEU A 6 7.268 -6.239 0.112 1.00 0.00 H new ATOM 0 HA LEU A 6 8.145 -5.241 -2.548 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.318 -8.027 -1.281 1.00 0.00 H new ATOM 0 HB3 LEU A 6 9.431 -7.311 -2.430 1.00 0.00 H new ATOM 0 HG LEU A 6 9.008 -6.463 0.473 1.00 0.00 H new ATOM 0 HD11 LEU A 6 11.399 -7.074 0.678 1.00 0.00 H new ATOM 0 HD12 LEU A 6 10.429 -8.459 0.122 1.00 0.00 H new ATOM 0 HD13 LEU A 6 11.425 -7.548 -1.037 1.00 0.00 H new ATOM 0 HD21 LEU A 6 10.750 -4.753 0.029 1.00 0.00 H new ATOM 0 HD22 LEU A 6 10.772 -5.221 -1.688 1.00 0.00 H new ATOM 0 HD23 LEU A 6 9.314 -4.480 -0.986 1.00 0.00 H new ATOM 102 N GLU A 7 5.551 -7.104 -2.267 1.00 0.00 N ATOM 103 CA GLU A 7 4.473 -7.728 -3.086 1.00 0.00 C ATOM 104 C GLU A 7 3.567 -6.641 -3.668 1.00 0.00 C ATOM 105 O GLU A 7 3.663 -5.490 -3.296 1.00 0.00 O ATOM 106 CB GLU A 7 3.698 -8.623 -2.120 1.00 0.00 C ATOM 107 CG GLU A 7 4.102 -10.082 -2.344 1.00 0.00 C ATOM 108 CD GLU A 7 3.264 -10.988 -1.441 1.00 0.00 C ATOM 109 OE1 GLU A 7 2.097 -11.175 -1.743 1.00 0.00 O ATOM 110 OE2 GLU A 7 3.804 -11.477 -0.463 1.00 0.00 O ATOM 0 H GLU A 7 5.353 -7.027 -1.269 1.00 0.00 H new ATOM 0 HA GLU A 7 4.868 -8.298 -3.927 1.00 0.00 H new ATOM 0 HB2 GLU A 7 3.905 -8.331 -1.091 1.00 0.00 H new ATOM 0 HB3 GLU A 7 2.626 -8.503 -2.276 1.00 0.00 H new ATOM 0 HG2 GLU A 7 3.954 -10.355 -3.389 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.162 -10.214 -2.127 1.00 0.00 H new ATOM 117 N PRO A 8 2.713 -7.046 -4.567 1.00 0.00 N ATOM 118 CA PRO A 8 1.778 -6.091 -5.213 1.00 0.00 C ATOM 119 C PRO A 8 0.741 -5.599 -4.199 1.00 0.00 C ATOM 120 O PRO A 8 0.573 -6.188 -3.149 1.00 0.00 O ATOM 121 CB PRO A 8 1.128 -6.921 -6.318 1.00 0.00 C ATOM 122 CG PRO A 8 1.258 -8.338 -5.858 1.00 0.00 C ATOM 123 CD PRO A 8 2.534 -8.414 -5.062 1.00 0.00 C ATOM 0 HA PRO A 8 2.267 -5.196 -5.599 1.00 0.00 H new ATOM 0 HB2 PRO A 8 0.083 -6.645 -6.457 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.629 -6.768 -7.274 1.00 0.00 H new ATOM 0 HG2 PRO A 8 0.402 -8.628 -5.248 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.290 -9.020 -6.707 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.454 -9.129 -4.243 1.00 0.00 H new ATOM 0 HD3 PRO A 8 3.374 -8.730 -5.680 1.00 0.00 H new ATOM 131 N PRO A 9 0.084 -4.527 -4.546 1.00 0.00 N ATOM 132 CA PRO A 9 -0.942 -3.943 -3.649 1.00 0.00 C ATOM 133 C PRO A 9 -2.186 -4.835 -3.604 1.00 0.00 C ATOM 134 O PRO A 9 -2.378 -5.694 -4.441 1.00 0.00 O ATOM 135 CB PRO A 9 -1.245 -2.586 -4.283 1.00 0.00 C ATOM 136 CG PRO A 9 -0.871 -2.736 -5.723 1.00 0.00 C ATOM 137 CD PRO A 9 0.227 -3.769 -5.793 1.00 0.00 C ATOM 0 HA PRO A 9 -0.609 -3.851 -2.615 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -2.298 -2.327 -4.174 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.670 -1.791 -3.807 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.732 -3.049 -6.314 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -0.531 -1.785 -6.134 1.00 0.00 H new ATOM 0 HD2 PRO A 9 0.114 -4.412 -6.666 1.00 0.00 H new ATOM 0 HD3 PRO A 9 1.209 -3.302 -5.866 1.00 0.00 H new ATOM 145 N TYR A 10 -3.028 -4.640 -2.627 1.00 0.00 N ATOM 146 CA TYR A 10 -4.259 -5.479 -2.515 1.00 0.00 C ATOM 147 C TYR A 10 -5.502 -4.601 -2.564 1.00 0.00 C ATOM 148 O TYR A 10 -5.967 -4.104 -1.558 1.00 0.00 O ATOM 149 CB TYR A 10 -4.142 -6.171 -1.152 1.00 0.00 C ATOM 150 CG TYR A 10 -5.084 -7.354 -1.093 1.00 0.00 C ATOM 151 CD1 TYR A 10 -4.925 -8.423 -1.986 1.00 0.00 C ATOM 152 CD2 TYR A 10 -6.113 -7.381 -0.145 1.00 0.00 C ATOM 153 CE1 TYR A 10 -5.797 -9.518 -1.929 1.00 0.00 C ATOM 154 CE2 TYR A 10 -6.986 -8.477 -0.089 1.00 0.00 C ATOM 155 CZ TYR A 10 -6.827 -9.544 -0.981 1.00 0.00 C ATOM 156 OH TYR A 10 -7.686 -10.624 -0.925 1.00 0.00 O ATOM 0 H TYR A 10 -2.918 -3.935 -1.899 1.00 0.00 H new ATOM 0 HA TYR A 10 -4.347 -6.196 -3.331 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -3.117 -6.503 -0.990 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.379 -5.466 -0.355 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -4.131 -8.402 -2.717 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -6.235 -6.558 0.543 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -5.675 -10.342 -2.616 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -7.781 -8.498 0.642 1.00 0.00 H new ATOM 0 HH TYR A 10 -8.342 -10.484 -0.211 1.00 0.00 H new ATOM 166 N THR A 11 -6.064 -4.430 -3.728 1.00 0.00 N ATOM 167 CA THR A 11 -7.296 -3.612 -3.835 1.00 0.00 C ATOM 168 C THR A 11 -8.295 -4.114 -2.797 1.00 0.00 C ATOM 169 O THR A 11 -9.184 -3.402 -2.373 1.00 0.00 O ATOM 170 CB THR A 11 -7.809 -3.841 -5.262 1.00 0.00 C ATOM 171 OG1 THR A 11 -7.168 -2.927 -6.142 1.00 0.00 O ATOM 172 CG2 THR A 11 -9.324 -3.626 -5.318 1.00 0.00 C ATOM 0 H THR A 11 -5.722 -4.822 -4.606 1.00 0.00 H new ATOM 0 HA THR A 11 -7.133 -2.550 -3.652 1.00 0.00 H new ATOM 0 HB THR A 11 -7.585 -4.864 -5.564 1.00 0.00 H new ATOM 0 HG1 THR A 11 -6.891 -2.131 -5.642 1.00 0.00 H new ATOM 0 HG21 THR A 11 -9.678 -3.791 -6.336 1.00 0.00 H new ATOM 0 HG22 THR A 11 -9.816 -4.328 -4.645 1.00 0.00 H new ATOM 0 HG23 THR A 11 -9.558 -2.606 -5.014 1.00 0.00 H new ATOM 180 N GLY A 12 -8.147 -5.343 -2.386 1.00 0.00 N ATOM 181 CA GLY A 12 -9.083 -5.901 -1.374 1.00 0.00 C ATOM 182 C GLY A 12 -10.479 -6.020 -1.986 1.00 0.00 C ATOM 183 O GLY A 12 -10.672 -5.749 -3.156 1.00 0.00 O ATOM 0 H GLY A 12 -7.420 -5.982 -2.707 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -8.735 -6.879 -1.041 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -9.113 -5.257 -0.495 1.00 0.00 H new ATOM 187 N PRO A 13 -11.408 -6.426 -1.168 1.00 0.00 N ATOM 188 CA PRO A 13 -12.808 -6.587 -1.623 1.00 0.00 C ATOM 189 C PRO A 13 -13.504 -5.220 -1.673 1.00 0.00 C ATOM 190 O PRO A 13 -12.864 -4.202 -1.837 1.00 0.00 O ATOM 191 CB PRO A 13 -13.421 -7.490 -0.555 1.00 0.00 C ATOM 192 CG PRO A 13 -12.597 -7.275 0.677 1.00 0.00 C ATOM 193 CD PRO A 13 -11.241 -6.770 0.246 1.00 0.00 C ATOM 0 HA PRO A 13 -12.901 -7.007 -2.625 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -14.465 -7.234 -0.377 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -13.397 -8.535 -0.865 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -13.080 -6.555 1.338 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -12.498 -8.205 1.237 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -10.936 -5.903 0.832 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -10.473 -7.532 0.381 1.00 0.00 H new ATOM 201 N CYS A 14 -14.804 -5.186 -1.534 1.00 0.00 N ATOM 202 CA CYS A 14 -15.530 -3.879 -1.569 1.00 0.00 C ATOM 203 C CYS A 14 -15.365 -3.209 -2.937 1.00 0.00 C ATOM 204 O CYS A 14 -14.585 -3.640 -3.764 1.00 0.00 O ATOM 205 CB CYS A 14 -14.886 -3.030 -0.469 1.00 0.00 C ATOM 206 SG CYS A 14 -14.830 -3.982 1.071 1.00 0.00 S ATOM 0 H CYS A 14 -15.395 -6.006 -1.398 1.00 0.00 H new ATOM 0 HA CYS A 14 -16.601 -4.003 -1.409 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -13.879 -2.736 -0.764 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -15.456 -2.113 -0.322 1.00 0.00 H new ATOM 211 N LYS A 15 -16.102 -2.157 -3.180 1.00 0.00 N ATOM 212 CA LYS A 15 -16.001 -1.454 -4.492 1.00 0.00 C ATOM 213 C LYS A 15 -15.479 -0.027 -4.293 1.00 0.00 C ATOM 214 O LYS A 15 -15.499 0.781 -5.199 1.00 0.00 O ATOM 215 CB LYS A 15 -17.429 -1.427 -5.035 1.00 0.00 C ATOM 216 CG LYS A 15 -17.913 -2.858 -5.280 1.00 0.00 C ATOM 217 CD LYS A 15 -19.132 -2.833 -6.203 1.00 0.00 C ATOM 218 CE LYS A 15 -20.068 -3.989 -5.845 1.00 0.00 C ATOM 219 NZ LYS A 15 -21.391 -3.353 -5.593 1.00 0.00 N ATOM 0 H LYS A 15 -16.771 -1.754 -2.524 1.00 0.00 H new ATOM 0 HA LYS A 15 -15.311 -1.952 -5.174 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -18.089 -0.926 -4.327 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -17.465 -0.856 -5.963 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -17.116 -3.451 -5.729 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -18.170 -3.333 -4.333 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -19.657 -1.883 -6.104 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -18.816 -2.916 -7.243 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -20.127 -4.714 -6.657 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -19.714 -4.525 -4.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -22.086 -4.085 -5.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -21.306 -2.673 -4.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -21.706 -2.856 -6.451 1.00 0.00 H new ATOM 233 N ALA A 16 -15.021 0.289 -3.113 1.00 0.00 N ATOM 234 CA ALA A 16 -14.505 1.666 -2.858 1.00 0.00 C ATOM 235 C ALA A 16 -13.346 1.993 -3.804 1.00 0.00 C ATOM 236 O ALA A 16 -12.704 1.115 -4.347 1.00 0.00 O ATOM 237 CB ALA A 16 -14.015 1.643 -1.408 1.00 0.00 C ATOM 0 H ALA A 16 -14.981 -0.345 -2.315 1.00 0.00 H new ATOM 0 HA ALA A 16 -15.270 2.424 -3.024 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -13.619 2.623 -1.142 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -14.846 1.396 -0.747 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -13.231 0.893 -1.301 1.00 0.00 H new ATOM 243 N ARG A 17 -13.072 3.254 -3.998 1.00 0.00 N ATOM 244 CA ARG A 17 -11.952 3.654 -4.897 1.00 0.00 C ATOM 245 C ARG A 17 -11.067 4.678 -4.179 1.00 0.00 C ATOM 246 O ARG A 17 -11.162 5.869 -4.407 1.00 0.00 O ATOM 247 CB ARG A 17 -12.625 4.275 -6.124 1.00 0.00 C ATOM 248 CG ARG A 17 -13.180 3.161 -7.015 1.00 0.00 C ATOM 249 CD ARG A 17 -14.567 3.554 -7.529 1.00 0.00 C ATOM 250 NE ARG A 17 -14.780 2.713 -8.741 1.00 0.00 N ATOM 251 CZ ARG A 17 -15.957 2.204 -8.986 1.00 0.00 C ATOM 252 NH1 ARG A 17 -16.397 1.200 -8.277 1.00 0.00 N ATOM 253 NH2 ARG A 17 -16.696 2.699 -9.941 1.00 0.00 N ATOM 0 H ARG A 17 -13.579 4.029 -3.570 1.00 0.00 H new ATOM 0 HA ARG A 17 -11.314 2.816 -5.178 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -13.429 4.942 -5.813 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -11.907 4.878 -6.680 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -12.507 2.984 -7.854 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -13.240 2.229 -6.453 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -15.334 3.366 -6.778 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -14.612 4.616 -7.772 1.00 0.00 H new ATOM 0 HE ARG A 17 -14.005 2.535 -9.380 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -15.821 0.812 -7.530 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -17.317 0.804 -8.470 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -16.354 3.484 -10.496 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -17.616 2.301 -10.132 1.00 0.00 H new ATOM 267 N ILE A 18 -10.218 4.222 -3.297 1.00 0.00 N ATOM 268 CA ILE A 18 -9.339 5.163 -2.543 1.00 0.00 C ATOM 269 C ILE A 18 -7.906 5.123 -3.083 1.00 0.00 C ATOM 270 O ILE A 18 -7.477 4.145 -3.662 1.00 0.00 O ATOM 271 CB ILE A 18 -9.370 4.653 -1.103 1.00 0.00 C ATOM 272 CG1 ILE A 18 -10.821 4.540 -0.629 1.00 0.00 C ATOM 273 CG2 ILE A 18 -8.615 5.627 -0.198 1.00 0.00 C ATOM 274 CD1 ILE A 18 -10.980 3.278 0.220 1.00 0.00 C ATOM 0 H ILE A 18 -10.095 3.236 -3.066 1.00 0.00 H new ATOM 0 HA ILE A 18 -9.679 6.195 -2.631 1.00 0.00 H new ATOM 0 HB ILE A 18 -8.896 3.673 -1.058 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -11.095 5.420 -0.047 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -11.493 4.502 -1.486 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -8.638 5.262 0.829 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -7.580 5.706 -0.532 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -9.088 6.608 -0.245 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -12.013 3.195 0.559 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -10.723 2.403 -0.377 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -10.318 3.335 1.084 1.00 0.00 H new ATOM 286 N ILE A 19 -7.161 6.177 -2.881 1.00 0.00 N ATOM 287 CA ILE A 19 -5.751 6.197 -3.366 1.00 0.00 C ATOM 288 C ILE A 19 -4.797 5.887 -2.212 1.00 0.00 C ATOM 289 O ILE A 19 -4.210 6.775 -1.625 1.00 0.00 O ATOM 290 CB ILE A 19 -5.516 7.620 -3.871 1.00 0.00 C ATOM 291 CG1 ILE A 19 -6.447 7.907 -5.050 1.00 0.00 C ATOM 292 CG2 ILE A 19 -4.063 7.764 -4.326 1.00 0.00 C ATOM 293 CD1 ILE A 19 -6.148 6.930 -6.187 1.00 0.00 C ATOM 0 H ILE A 19 -7.468 7.024 -2.402 1.00 0.00 H new ATOM 0 HA ILE A 19 -5.577 5.454 -4.145 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.720 8.327 -3.067 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -7.487 7.810 -4.738 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -6.311 8.933 -5.393 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.894 8.779 -4.687 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.397 7.561 -3.487 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.861 7.055 -5.129 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -6.812 7.135 -7.027 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.112 7.048 -6.506 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -6.306 5.909 -5.840 1.00 0.00 H new ATOM 305 N ARG A 20 -4.631 4.636 -1.881 1.00 0.00 N ATOM 306 CA ARG A 20 -3.707 4.282 -0.768 1.00 0.00 C ATOM 307 C ARG A 20 -2.280 4.155 -1.304 1.00 0.00 C ATOM 308 O ARG A 20 -2.045 4.244 -2.494 1.00 0.00 O ATOM 309 CB ARG A 20 -4.212 2.939 -0.237 1.00 0.00 C ATOM 310 CG ARG A 20 -5.431 3.170 0.662 1.00 0.00 C ATOM 311 CD ARG A 20 -5.000 3.911 1.930 1.00 0.00 C ATOM 312 NE ARG A 20 -6.256 4.146 2.695 1.00 0.00 N ATOM 313 CZ ARG A 20 -6.372 3.694 3.914 1.00 0.00 C ATOM 314 NH1 ARG A 20 -6.374 2.408 4.136 1.00 0.00 N ATOM 315 NH2 ARG A 20 -6.487 4.527 4.912 1.00 0.00 N ATOM 0 H ARG A 20 -5.094 3.846 -2.332 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.689 5.038 0.017 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.478 2.285 -1.067 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.423 2.438 0.324 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.185 3.749 0.128 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.889 2.216 0.924 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.292 3.319 2.510 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.506 4.852 1.687 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.026 4.660 2.266 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.285 1.756 3.357 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.465 2.055 5.089 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.486 5.532 4.740 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -6.578 4.173 5.864 1.00 0.00 H new ATOM 329 N TYR A 21 -1.322 3.954 -0.444 1.00 0.00 N ATOM 330 CA TYR A 21 0.081 3.833 -0.928 1.00 0.00 C ATOM 331 C TYR A 21 0.622 2.427 -0.681 1.00 0.00 C ATOM 332 O TYR A 21 0.347 1.808 0.329 1.00 0.00 O ATOM 333 CB TYR A 21 0.873 4.844 -0.101 1.00 0.00 C ATOM 334 CG TYR A 21 0.667 6.231 -0.656 1.00 0.00 C ATOM 335 CD1 TYR A 21 1.498 6.710 -1.674 1.00 0.00 C ATOM 336 CD2 TYR A 21 -0.353 7.040 -0.146 1.00 0.00 C ATOM 337 CE1 TYR A 21 1.310 7.999 -2.183 1.00 0.00 C ATOM 338 CE2 TYR A 21 -0.543 8.330 -0.653 1.00 0.00 C ATOM 339 CZ TYR A 21 0.290 8.810 -1.673 1.00 0.00 C ATOM 340 OH TYR A 21 0.106 10.082 -2.173 1.00 0.00 O ATOM 0 H TYR A 21 -1.447 3.869 0.565 1.00 0.00 H new ATOM 0 HA TYR A 21 0.153 4.018 -2.000 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.552 4.807 0.940 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.933 4.590 -0.117 1.00 0.00 H new ATOM 0 HD1 TYR A 21 2.285 6.084 -2.067 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -0.994 6.669 0.640 1.00 0.00 H new ATOM 0 HE1 TYR A 21 1.952 8.368 -2.969 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.331 8.955 -0.259 1.00 0.00 H new ATOM 0 HH TYR A 21 -0.645 10.510 -1.710 1.00 0.00 H new ATOM 350 N PHE A 22 1.419 1.936 -1.589 1.00 0.00 N ATOM 351 CA PHE A 22 2.023 0.585 -1.417 1.00 0.00 C ATOM 352 C PHE A 22 3.483 0.643 -1.856 1.00 0.00 C ATOM 353 O PHE A 22 3.853 1.451 -2.679 1.00 0.00 O ATOM 354 CB PHE A 22 1.211 -0.353 -2.312 1.00 0.00 C ATOM 355 CG PHE A 22 1.630 -0.194 -3.755 1.00 0.00 C ATOM 356 CD1 PHE A 22 1.058 0.809 -4.548 1.00 0.00 C ATOM 357 CD2 PHE A 22 2.597 -1.050 -4.299 1.00 0.00 C ATOM 358 CE1 PHE A 22 1.453 0.958 -5.884 1.00 0.00 C ATOM 359 CE2 PHE A 22 2.992 -0.904 -5.634 1.00 0.00 C ATOM 360 CZ PHE A 22 2.421 0.101 -6.427 1.00 0.00 C ATOM 0 H PHE A 22 1.680 2.417 -2.450 1.00 0.00 H new ATOM 0 HA PHE A 22 2.001 0.238 -0.384 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.357 -1.386 -1.995 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.148 -0.135 -2.209 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.312 1.468 -4.129 1.00 0.00 H new ATOM 0 HD2 PHE A 22 3.038 -1.823 -3.688 1.00 0.00 H new ATOM 0 HE1 PHE A 22 1.012 1.732 -6.495 1.00 0.00 H new ATOM 0 HE2 PHE A 22 3.736 -1.565 -6.053 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.727 0.215 -7.457 1.00 0.00 H new ATOM 370 N TYR A 23 4.312 -0.189 -1.308 1.00 0.00 N ATOM 371 CA TYR A 23 5.760 -0.152 -1.687 1.00 0.00 C ATOM 372 C TYR A 23 6.002 -0.858 -3.024 1.00 0.00 C ATOM 373 O TYR A 23 5.987 -2.067 -3.112 1.00 0.00 O ATOM 374 CB TYR A 23 6.495 -0.877 -0.558 1.00 0.00 C ATOM 375 CG TYR A 23 7.980 -0.712 -0.765 1.00 0.00 C ATOM 376 CD1 TYR A 23 8.580 0.534 -0.546 1.00 0.00 C ATOM 377 CD2 TYR A 23 8.755 -1.796 -1.193 1.00 0.00 C ATOM 378 CE1 TYR A 23 9.954 0.696 -0.752 1.00 0.00 C ATOM 379 CE2 TYR A 23 10.130 -1.635 -1.401 1.00 0.00 C ATOM 380 CZ TYR A 23 10.730 -0.389 -1.179 1.00 0.00 C ATOM 381 OH TYR A 23 12.085 -0.230 -1.386 1.00 0.00 O ATOM 0 H TYR A 23 4.060 -0.894 -0.615 1.00 0.00 H new ATOM 0 HA TYR A 23 6.111 0.872 -1.813 1.00 0.00 H new ATOM 0 HB2 TYR A 23 6.200 -0.468 0.409 1.00 0.00 H new ATOM 0 HB3 TYR A 23 6.229 -1.934 -0.552 1.00 0.00 H new ATOM 0 HD1 TYR A 23 7.981 1.371 -0.218 1.00 0.00 H new ATOM 0 HD2 TYR A 23 8.292 -2.757 -1.363 1.00 0.00 H new ATOM 0 HE1 TYR A 23 10.416 1.657 -0.582 1.00 0.00 H new ATOM 0 HE2 TYR A 23 10.728 -2.471 -1.732 1.00 0.00 H new ATOM 0 HH TYR A 23 12.254 0.649 -1.784 1.00 0.00 H new ATOM 391 N ASN A 24 6.246 -0.108 -4.066 1.00 0.00 N ATOM 392 CA ASN A 24 6.512 -0.736 -5.389 1.00 0.00 C ATOM 393 C ASN A 24 7.955 -1.235 -5.435 1.00 0.00 C ATOM 394 O ASN A 24 8.840 -0.549 -5.909 1.00 0.00 O ATOM 395 CB ASN A 24 6.316 0.383 -6.411 1.00 0.00 C ATOM 396 CG ASN A 24 6.414 -0.194 -7.826 1.00 0.00 C ATOM 397 OD1 ASN A 24 6.518 -1.392 -7.999 1.00 0.00 O ATOM 398 ND2 ASN A 24 6.383 0.613 -8.850 1.00 0.00 N ATOM 0 H ASN A 24 6.272 0.912 -4.056 1.00 0.00 H new ATOM 0 HA ASN A 24 5.857 -1.585 -5.584 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.345 0.856 -6.266 1.00 0.00 H new ATOM 0 HB3 ASN A 24 7.071 1.156 -6.269 1.00 0.00 H new ATOM 0 HD21 ASN A 24 6.446 0.238 -9.797 1.00 0.00 H new ATOM 0 HD22 ASN A 24 6.296 1.619 -8.704 1.00 0.00 H new ATOM 405 N ALA A 25 8.212 -2.414 -4.944 1.00 0.00 N ATOM 406 CA ALA A 25 9.609 -2.926 -4.968 1.00 0.00 C ATOM 407 C ALA A 25 10.221 -2.670 -6.345 1.00 0.00 C ATOM 408 O ALA A 25 11.420 -2.541 -6.490 1.00 0.00 O ATOM 409 CB ALA A 25 9.499 -4.424 -4.688 1.00 0.00 C ATOM 0 H ALA A 25 7.522 -3.041 -4.530 1.00 0.00 H new ATOM 0 HA ALA A 25 10.248 -2.435 -4.234 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.494 -4.869 -4.691 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.035 -4.579 -3.714 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.889 -4.895 -5.459 1.00 0.00 H new ATOM 415 N LYS A 26 9.401 -2.581 -7.357 1.00 0.00 N ATOM 416 CA LYS A 26 9.928 -2.317 -8.724 1.00 0.00 C ATOM 417 C LYS A 26 10.421 -0.872 -8.813 1.00 0.00 C ATOM 418 O LYS A 26 11.317 -0.557 -9.571 1.00 0.00 O ATOM 419 CB LYS A 26 8.740 -2.539 -9.661 1.00 0.00 C ATOM 420 CG LYS A 26 9.183 -3.383 -10.861 1.00 0.00 C ATOM 421 CD LYS A 26 8.255 -3.112 -12.048 1.00 0.00 C ATOM 422 CE LYS A 26 8.814 -3.793 -13.301 1.00 0.00 C ATOM 423 NZ LYS A 26 8.918 -2.706 -14.316 1.00 0.00 N ATOM 0 H LYS A 26 8.388 -2.680 -7.295 1.00 0.00 H new ATOM 0 HA LYS A 26 10.767 -2.963 -8.981 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.933 -3.041 -9.128 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.349 -1.581 -10.002 1.00 0.00 H new ATOM 0 HG2 LYS A 26 10.212 -3.142 -11.128 1.00 0.00 H new ATOM 0 HG3 LYS A 26 9.160 -4.442 -10.602 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.254 -3.487 -11.834 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.164 -2.039 -12.215 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.787 -4.244 -13.105 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.156 -4.591 -13.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.294 -3.095 -15.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 7.976 -2.300 -14.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 9.556 -1.964 -13.965 1.00 0.00 H new ATOM 437 N ALA A 27 9.843 0.010 -8.041 1.00 0.00 N ATOM 438 CA ALA A 27 10.285 1.434 -8.086 1.00 0.00 C ATOM 439 C ALA A 27 11.294 1.718 -6.966 1.00 0.00 C ATOM 440 O ALA A 27 12.089 2.632 -7.056 1.00 0.00 O ATOM 441 CB ALA A 27 9.010 2.248 -7.877 1.00 0.00 C ATOM 0 H ALA A 27 9.089 -0.192 -7.385 1.00 0.00 H new ATOM 0 HA ALA A 27 10.780 1.681 -9.025 1.00 0.00 H new ATOM 0 HB1 ALA A 27 9.250 3.311 -7.897 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.299 2.021 -8.672 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.570 1.993 -6.913 1.00 0.00 H new ATOM 447 N GLY A 28 11.267 0.948 -5.910 1.00 0.00 N ATOM 448 CA GLY A 28 12.225 1.185 -4.788 1.00 0.00 C ATOM 449 C GLY A 28 11.548 2.027 -3.702 1.00 0.00 C ATOM 450 O GLY A 28 12.146 2.364 -2.699 1.00 0.00 O ATOM 0 H GLY A 28 10.625 0.167 -5.775 1.00 0.00 H new ATOM 0 HA2 GLY A 28 12.555 0.233 -4.371 1.00 0.00 H new ATOM 0 HA3 GLY A 28 13.114 1.697 -5.157 1.00 0.00 H new ATOM 454 N LEU A 29 10.305 2.367 -3.896 1.00 0.00 N ATOM 455 CA LEU A 29 9.578 3.184 -2.891 1.00 0.00 C ATOM 456 C LEU A 29 8.093 2.820 -2.925 1.00 0.00 C ATOM 457 O LEU A 29 7.734 1.670 -3.097 1.00 0.00 O ATOM 458 CB LEU A 29 9.801 4.632 -3.330 1.00 0.00 C ATOM 459 CG LEU A 29 9.318 4.814 -4.770 1.00 0.00 C ATOM 460 CD1 LEU A 29 8.389 6.028 -4.850 1.00 0.00 C ATOM 461 CD2 LEU A 29 10.524 5.035 -5.687 1.00 0.00 C ATOM 0 H LEU A 29 9.758 2.110 -4.717 1.00 0.00 H new ATOM 0 HA LEU A 29 9.925 3.020 -1.871 1.00 0.00 H new ATOM 0 HB2 LEU A 29 9.263 5.310 -2.667 1.00 0.00 H new ATOM 0 HB3 LEU A 29 10.858 4.886 -3.256 1.00 0.00 H new ATOM 0 HG LEU A 29 8.777 3.922 -5.086 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.046 6.156 -5.877 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.530 5.873 -4.197 1.00 0.00 H new ATOM 0 HD13 LEU A 29 8.929 6.921 -4.534 1.00 0.00 H new ATOM 0 HD21 LEU A 29 10.182 5.165 -6.714 1.00 0.00 H new ATOM 0 HD22 LEU A 29 11.064 5.927 -5.369 1.00 0.00 H new ATOM 0 HD23 LEU A 29 11.186 4.171 -5.632 1.00 0.00 H new ATOM 473 N CYS A 30 7.229 3.778 -2.766 1.00 0.00 N ATOM 474 CA CYS A 30 5.773 3.466 -2.792 1.00 0.00 C ATOM 475 C CYS A 30 5.053 4.166 -3.943 1.00 0.00 C ATOM 476 O CYS A 30 5.546 5.104 -4.539 1.00 0.00 O ATOM 477 CB CYS A 30 5.220 3.967 -1.456 1.00 0.00 C ATOM 478 SG CYS A 30 5.101 2.588 -0.292 1.00 0.00 S ATOM 0 H CYS A 30 7.464 4.760 -2.620 1.00 0.00 H new ATOM 0 HA CYS A 30 5.617 2.397 -2.939 1.00 0.00 H new ATOM 0 HB2 CYS A 30 5.869 4.743 -1.051 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.238 4.417 -1.603 1.00 0.00 H new ATOM 483 N GLN A 31 3.868 3.710 -4.235 1.00 0.00 N ATOM 484 CA GLN A 31 3.054 4.319 -5.319 1.00 0.00 C ATOM 485 C GLN A 31 1.577 4.203 -4.942 1.00 0.00 C ATOM 486 O GLN A 31 1.210 3.415 -4.093 1.00 0.00 O ATOM 487 CB GLN A 31 3.370 3.501 -6.572 1.00 0.00 C ATOM 488 CG GLN A 31 4.792 3.821 -7.039 1.00 0.00 C ATOM 489 CD GLN A 31 4.878 3.672 -8.558 1.00 0.00 C ATOM 490 OE1 GLN A 31 3.873 3.519 -9.223 1.00 0.00 O ATOM 491 NE2 GLN A 31 6.045 3.718 -9.140 1.00 0.00 N ATOM 0 H GLN A 31 3.422 2.926 -3.758 1.00 0.00 H new ATOM 0 HA GLN A 31 3.273 5.374 -5.481 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.276 2.436 -6.359 1.00 0.00 H new ATOM 0 HB3 GLN A 31 2.655 3.732 -7.361 1.00 0.00 H new ATOM 0 HG2 GLN A 31 5.062 4.836 -6.747 1.00 0.00 H new ATOM 0 HG3 GLN A 31 5.504 3.151 -6.557 1.00 0.00 H new ATOM 0 HE21 GLN A 31 6.889 3.846 -8.581 1.00 0.00 H new ATOM 0 HE22 GLN A 31 6.113 3.626 -10.153 1.00 0.00 H new ATOM 500 N THR A 32 0.728 4.985 -5.540 1.00 0.00 N ATOM 501 CA THR A 32 -0.715 4.909 -5.178 1.00 0.00 C ATOM 502 C THR A 32 -1.393 3.727 -5.865 1.00 0.00 C ATOM 503 O THR A 32 -1.103 3.397 -6.997 1.00 0.00 O ATOM 504 CB THR A 32 -1.318 6.224 -5.669 1.00 0.00 C ATOM 505 OG1 THR A 32 -0.728 6.579 -6.913 1.00 0.00 O ATOM 506 CG2 THR A 32 -1.052 7.325 -4.642 1.00 0.00 C ATOM 0 H THR A 32 0.965 5.669 -6.258 1.00 0.00 H new ATOM 0 HA THR A 32 -0.852 4.764 -4.106 1.00 0.00 H new ATOM 0 HB THR A 32 -2.394 6.105 -5.798 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.115 7.422 -7.230 1.00 0.00 H new ATOM 0 HG21 THR A 32 -1.483 8.262 -4.994 1.00 0.00 H new ATOM 0 HG22 THR A 32 -1.506 7.052 -3.690 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.023 7.447 -4.509 1.00 0.00 H new ATOM 514 N PHE A 33 -2.317 3.106 -5.187 1.00 0.00 N ATOM 515 CA PHE A 33 -3.054 1.962 -5.789 1.00 0.00 C ATOM 516 C PHE A 33 -4.504 1.993 -5.313 1.00 0.00 C ATOM 517 O PHE A 33 -4.831 2.626 -4.328 1.00 0.00 O ATOM 518 CB PHE A 33 -2.335 0.691 -5.318 1.00 0.00 C ATOM 519 CG PHE A 33 -2.765 0.310 -3.917 1.00 0.00 C ATOM 520 CD1 PHE A 33 -2.127 0.877 -2.806 1.00 0.00 C ATOM 521 CD2 PHE A 33 -3.794 -0.624 -3.728 1.00 0.00 C ATOM 522 CE1 PHE A 33 -2.519 0.517 -1.513 1.00 0.00 C ATOM 523 CE2 PHE A 33 -4.184 -0.984 -2.433 1.00 0.00 C ATOM 524 CZ PHE A 33 -3.548 -0.413 -1.325 1.00 0.00 C ATOM 0 H PHE A 33 -2.595 3.344 -4.235 1.00 0.00 H new ATOM 0 HA PHE A 33 -3.069 2.004 -6.878 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.551 -0.128 -6.004 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.257 0.850 -5.341 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.331 1.593 -2.948 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -4.286 -1.066 -4.582 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.027 0.957 -0.658 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -4.977 -1.703 -2.289 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.851 -0.690 -0.326 1.00 0.00 H new ATOM 534 N VAL A 34 -5.376 1.330 -6.007 1.00 0.00 N ATOM 535 CA VAL A 34 -6.806 1.341 -5.594 1.00 0.00 C ATOM 536 C VAL A 34 -7.004 0.468 -4.356 1.00 0.00 C ATOM 537 O VAL A 34 -6.583 -0.668 -4.314 1.00 0.00 O ATOM 538 CB VAL A 34 -7.571 0.774 -6.790 1.00 0.00 C ATOM 539 CG1 VAL A 34 -9.068 1.031 -6.610 1.00 0.00 C ATOM 540 CG2 VAL A 34 -7.086 1.460 -8.070 1.00 0.00 C ATOM 0 H VAL A 34 -5.166 0.781 -6.841 1.00 0.00 H new ATOM 0 HA VAL A 34 -7.154 2.340 -5.332 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.395 -0.299 -6.860 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -9.612 0.626 -7.463 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -9.413 0.546 -5.697 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -9.247 2.104 -6.541 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.629 1.059 -8.926 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.264 2.533 -7.998 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -6.019 1.277 -8.199 1.00 0.00 H new ATOM 550 N TYR A 35 -7.640 1.000 -3.350 1.00 0.00 N ATOM 551 CA TYR A 35 -7.872 0.214 -2.101 1.00 0.00 C ATOM 552 C TYR A 35 -9.374 -0.038 -1.931 1.00 0.00 C ATOM 553 O TYR A 35 -10.191 0.773 -2.316 1.00 0.00 O ATOM 554 CB TYR A 35 -7.332 1.108 -0.984 1.00 0.00 C ATOM 555 CG TYR A 35 -7.670 0.519 0.364 1.00 0.00 C ATOM 556 CD1 TYR A 35 -7.635 -0.868 0.559 1.00 0.00 C ATOM 557 CD2 TYR A 35 -8.012 1.367 1.423 1.00 0.00 C ATOM 558 CE1 TYR A 35 -7.943 -1.405 1.818 1.00 0.00 C ATOM 559 CE2 TYR A 35 -8.320 0.832 2.678 1.00 0.00 C ATOM 560 CZ TYR A 35 -8.285 -0.554 2.877 1.00 0.00 C ATOM 561 OH TYR A 35 -8.588 -1.078 4.116 1.00 0.00 O ATOM 0 H TYR A 35 -8.012 1.950 -3.337 1.00 0.00 H new ATOM 0 HA TYR A 35 -7.386 -0.762 -2.106 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -6.252 1.213 -1.083 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -7.759 2.107 -1.070 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -7.371 -1.523 -0.258 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -8.038 2.436 1.271 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -7.916 -2.474 1.971 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -8.585 1.488 3.494 1.00 0.00 H new ATOM 0 HH TYR A 35 -8.802 -0.350 4.736 1.00 0.00 H new ATOM 571 N GLY A 36 -9.747 -1.159 -1.378 1.00 0.00 N ATOM 572 CA GLY A 36 -11.200 -1.458 -1.213 1.00 0.00 C ATOM 573 C GLY A 36 -11.710 -0.922 0.126 1.00 0.00 C ATOM 574 O GLY A 36 -12.851 -1.134 0.489 1.00 0.00 O ATOM 0 H GLY A 36 -9.112 -1.879 -1.034 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -11.765 -1.009 -2.030 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -11.364 -2.534 -1.267 1.00 0.00 H new ATOM 578 N ALA A 37 -10.887 -0.233 0.868 1.00 0.00 N ATOM 579 CA ALA A 37 -11.347 0.303 2.185 1.00 0.00 C ATOM 580 C ALA A 37 -11.572 -0.846 3.175 1.00 0.00 C ATOM 581 O ALA A 37 -12.032 -0.641 4.281 1.00 0.00 O ATOM 582 CB ALA A 37 -12.669 1.018 1.891 1.00 0.00 C ATOM 0 H ALA A 37 -9.921 -0.018 0.623 1.00 0.00 H new ATOM 0 HA ALA A 37 -10.613 0.973 2.632 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -13.068 1.439 2.814 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -12.497 1.819 1.172 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -13.384 0.306 1.478 1.00 0.00 H new ATOM 588 N CYS A 38 -11.257 -2.053 2.786 1.00 0.00 N ATOM 589 CA CYS A 38 -11.457 -3.210 3.709 1.00 0.00 C ATOM 590 C CYS A 38 -10.348 -4.250 3.511 1.00 0.00 C ATOM 591 O CYS A 38 -9.697 -4.293 2.485 1.00 0.00 O ATOM 592 CB CYS A 38 -12.814 -3.797 3.319 1.00 0.00 C ATOM 593 SG CYS A 38 -12.864 -4.059 1.529 1.00 0.00 S ATOM 0 H CYS A 38 -10.871 -2.288 1.872 1.00 0.00 H new ATOM 0 HA CYS A 38 -11.425 -2.910 4.756 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -12.978 -4.740 3.840 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -13.615 -3.122 3.621 1.00 0.00 H new ATOM 598 N ARG A 39 -10.132 -5.093 4.486 1.00 0.00 N ATOM 599 CA ARG A 39 -9.071 -6.136 4.357 1.00 0.00 C ATOM 600 C ARG A 39 -7.740 -5.508 3.940 1.00 0.00 C ATOM 601 O ARG A 39 -6.956 -6.109 3.232 1.00 0.00 O ATOM 602 CB ARG A 39 -9.579 -7.077 3.266 1.00 0.00 C ATOM 603 CG ARG A 39 -11.016 -7.491 3.579 1.00 0.00 C ATOM 604 CD ARG A 39 -11.117 -9.016 3.567 1.00 0.00 C ATOM 605 NE ARG A 39 -12.372 -9.324 4.305 1.00 0.00 N ATOM 606 CZ ARG A 39 -13.108 -10.335 3.939 1.00 0.00 C ATOM 607 NH1 ARG A 39 -13.723 -10.310 2.788 1.00 0.00 N ATOM 608 NH2 ARG A 39 -13.227 -11.373 4.720 1.00 0.00 N ATOM 0 H ARG A 39 -10.645 -5.105 5.368 1.00 0.00 H new ATOM 0 HA ARG A 39 -8.890 -6.652 5.300 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -9.535 -6.583 2.295 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -8.940 -7.958 3.205 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -11.314 -7.103 4.553 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -11.698 -7.064 2.843 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -11.154 -9.401 2.548 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -10.253 -9.473 4.050 1.00 0.00 H new ATOM 0 HE ARG A 39 -12.655 -8.745 5.096 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -13.627 -9.500 2.176 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -14.299 -11.101 2.500 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -12.744 -11.394 5.618 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -13.803 -12.164 4.433 1.00 0.00 H new ATOM 622 N ALA A 40 -7.474 -4.306 4.370 1.00 0.00 N ATOM 623 CA ALA A 40 -6.189 -3.654 3.991 1.00 0.00 C ATOM 624 C ALA A 40 -5.001 -4.486 4.483 1.00 0.00 C ATOM 625 O ALA A 40 -5.032 -5.057 5.555 1.00 0.00 O ATOM 626 CB ALA A 40 -6.212 -2.293 4.684 1.00 0.00 C ATOM 0 H ALA A 40 -8.087 -3.749 4.965 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.082 -3.560 2.910 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.295 -1.751 4.452 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.071 -1.721 4.333 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.287 -2.435 5.762 1.00 0.00 H new ATOM 632 N LYS A 41 -3.956 -4.560 3.705 1.00 0.00 N ATOM 633 CA LYS A 41 -2.764 -5.354 4.126 1.00 0.00 C ATOM 634 C LYS A 41 -1.657 -4.418 4.620 1.00 0.00 C ATOM 635 O LYS A 41 -1.867 -3.233 4.793 1.00 0.00 O ATOM 636 CB LYS A 41 -2.318 -6.101 2.868 1.00 0.00 C ATOM 637 CG LYS A 41 -3.536 -6.740 2.193 1.00 0.00 C ATOM 638 CD LYS A 41 -3.241 -8.211 1.888 1.00 0.00 C ATOM 639 CE LYS A 41 -3.726 -9.083 3.048 1.00 0.00 C ATOM 640 NZ LYS A 41 -4.228 -10.331 2.409 1.00 0.00 N ATOM 0 H LYS A 41 -3.875 -4.105 2.796 1.00 0.00 H new ATOM 0 HA LYS A 41 -2.990 -6.039 4.944 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -1.826 -5.414 2.179 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.589 -6.868 3.127 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -4.408 -6.661 2.842 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -3.775 -6.208 1.272 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.738 -8.508 0.964 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.171 -8.354 1.735 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -2.917 -9.295 3.747 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -4.513 -8.585 3.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -4.578 -10.980 3.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -5.002 -10.099 1.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -3.455 -10.787 1.884 1.00 0.00 H new ATOM 654 N ARG A 42 -0.479 -4.933 4.843 1.00 0.00 N ATOM 655 CA ARG A 42 0.631 -4.055 5.321 1.00 0.00 C ATOM 656 C ARG A 42 1.094 -3.141 4.185 1.00 0.00 C ATOM 657 O ARG A 42 1.623 -2.072 4.412 1.00 0.00 O ATOM 658 CB ARG A 42 1.770 -4.993 5.750 1.00 0.00 C ATOM 659 CG ARG A 42 1.204 -6.252 6.413 1.00 0.00 C ATOM 660 CD ARG A 42 2.312 -6.955 7.197 1.00 0.00 C ATOM 661 NE ARG A 42 2.151 -8.399 6.876 1.00 0.00 N ATOM 662 CZ ARG A 42 1.824 -9.243 7.816 1.00 0.00 C ATOM 663 NH1 ARG A 42 0.653 -9.162 8.385 1.00 0.00 N ATOM 664 NH2 ARG A 42 2.669 -10.166 8.188 1.00 0.00 N ATOM 0 H ARG A 42 -0.236 -5.916 4.717 1.00 0.00 H new ATOM 0 HA ARG A 42 0.313 -3.421 6.148 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.369 -5.269 4.882 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.434 -4.476 6.443 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.383 -5.988 7.080 1.00 0.00 H new ATOM 0 HG3 ARG A 42 0.797 -6.923 5.657 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.296 -6.592 6.902 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.214 -6.775 8.268 1.00 0.00 H new ATOM 0 HE ARG A 42 2.296 -8.729 5.922 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -0.006 -8.439 8.095 1.00 0.00 H new ATOM 0 HH12 ARG A 42 0.396 -9.821 9.120 1.00 0.00 H new ATOM 0 HH21 ARG A 42 3.585 -10.228 7.744 1.00 0.00 H new ATOM 0 HH22 ARG A 42 2.413 -10.826 8.923 1.00 0.00 H new ATOM 678 N ASN A 43 0.894 -3.552 2.960 1.00 0.00 N ATOM 679 CA ASN A 43 1.320 -2.700 1.814 1.00 0.00 C ATOM 680 C ASN A 43 0.160 -1.815 1.362 1.00 0.00 C ATOM 681 O ASN A 43 -0.218 -1.800 0.207 1.00 0.00 O ATOM 682 CB ASN A 43 1.716 -3.677 0.711 1.00 0.00 C ATOM 683 CG ASN A 43 2.819 -3.049 -0.142 1.00 0.00 C ATOM 684 OD1 ASN A 43 3.050 -1.858 -0.071 1.00 0.00 O ATOM 685 ND2 ASN A 43 3.519 -3.800 -0.944 1.00 0.00 N ATOM 0 H ASN A 43 0.456 -4.437 2.706 1.00 0.00 H new ATOM 0 HA ASN A 43 2.144 -2.036 2.076 1.00 0.00 H new ATOM 0 HB2 ASN A 43 2.064 -4.614 1.146 1.00 0.00 H new ATOM 0 HB3 ASN A 43 0.851 -3.915 0.092 1.00 0.00 H new ATOM 0 HD21 ASN A 43 4.260 -3.388 -1.511 1.00 0.00 H new ATOM 0 HD22 ASN A 43 3.326 -4.800 -1.005 1.00 0.00 H new ATOM 692 N ASN A 44 -0.400 -1.073 2.271 1.00 0.00 N ATOM 693 CA ASN A 44 -1.534 -0.174 1.923 1.00 0.00 C ATOM 694 C ASN A 44 -1.557 0.996 2.906 1.00 0.00 C ATOM 695 O ASN A 44 -2.420 1.097 3.755 1.00 0.00 O ATOM 696 CB ASN A 44 -2.785 -1.042 2.073 1.00 0.00 C ATOM 697 CG ASN A 44 -4.038 -0.167 1.992 1.00 0.00 C ATOM 698 OD1 ASN A 44 -3.948 1.033 1.828 1.00 0.00 O ATOM 699 ND2 ASN A 44 -5.212 -0.727 2.096 1.00 0.00 N ATOM 0 H ASN A 44 -0.119 -1.050 3.251 1.00 0.00 H new ATOM 0 HA ASN A 44 -1.461 0.244 0.919 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -2.809 -1.800 1.290 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -2.760 -1.570 3.026 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -6.056 -0.157 2.040 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -5.286 -1.735 2.234 1.00 0.00 H new ATOM 706 N PHE A 45 -0.597 1.873 2.804 1.00 0.00 N ATOM 707 CA PHE A 45 -0.542 3.032 3.739 1.00 0.00 C ATOM 708 C PHE A 45 -1.361 4.198 3.181 1.00 0.00 C ATOM 709 O PHE A 45 -1.438 4.401 1.985 1.00 0.00 O ATOM 710 CB PHE A 45 0.943 3.404 3.829 1.00 0.00 C ATOM 711 CG PHE A 45 1.784 2.153 3.979 1.00 0.00 C ATOM 712 CD1 PHE A 45 2.063 1.641 5.255 1.00 0.00 C ATOM 713 CD2 PHE A 45 2.287 1.507 2.841 1.00 0.00 C ATOM 714 CE1 PHE A 45 2.842 0.481 5.391 1.00 0.00 C ATOM 715 CE2 PHE A 45 3.066 0.348 2.977 1.00 0.00 C ATOM 716 CZ PHE A 45 3.344 -0.167 4.252 1.00 0.00 C ATOM 0 H PHE A 45 0.152 1.837 2.113 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.958 2.794 4.718 1.00 0.00 H new ATOM 0 HB2 PHE A 45 1.244 3.949 2.935 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.109 4.067 4.678 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.679 2.139 6.133 1.00 0.00 H new ATOM 0 HD2 PHE A 45 2.075 1.902 1.858 1.00 0.00 H new ATOM 0 HE1 PHE A 45 3.055 0.087 6.374 1.00 0.00 H new ATOM 0 HE2 PHE A 45 3.452 -0.148 2.099 1.00 0.00 H new ATOM 0 HZ PHE A 45 3.943 -1.060 4.357 1.00 0.00 H new ATOM 726 N LYS A 46 -1.978 4.964 4.039 1.00 0.00 N ATOM 727 CA LYS A 46 -2.798 6.112 3.561 1.00 0.00 C ATOM 728 C LYS A 46 -1.901 7.278 3.148 1.00 0.00 C ATOM 729 O LYS A 46 -2.313 8.163 2.424 1.00 0.00 O ATOM 730 CB LYS A 46 -3.669 6.505 4.753 1.00 0.00 C ATOM 731 CG LYS A 46 -4.425 7.792 4.416 1.00 0.00 C ATOM 732 CD LYS A 46 -5.058 8.358 5.685 1.00 0.00 C ATOM 733 CE LYS A 46 -6.386 7.647 5.952 1.00 0.00 C ATOM 734 NZ LYS A 46 -7.145 8.571 6.839 1.00 0.00 N ATOM 0 H LYS A 46 -1.949 4.844 5.051 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.395 5.850 2.687 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -4.372 5.705 4.985 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.051 6.653 5.638 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.744 8.523 3.980 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -5.195 7.590 3.672 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.385 8.224 6.531 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.222 9.430 5.575 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.926 7.458 5.024 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -6.227 6.681 6.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -8.069 8.152 7.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -6.610 8.727 7.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -7.287 9.480 6.354 1.00 0.00 H new ATOM 748 N SER A 47 -0.680 7.288 3.597 1.00 0.00 N ATOM 749 CA SER A 47 0.233 8.402 3.222 1.00 0.00 C ATOM 750 C SER A 47 1.611 7.859 2.852 1.00 0.00 C ATOM 751 O SER A 47 2.032 6.822 3.323 1.00 0.00 O ATOM 752 CB SER A 47 0.322 9.286 4.462 1.00 0.00 C ATOM 753 OG SER A 47 0.940 8.560 5.516 1.00 0.00 O ATOM 0 H SER A 47 -0.275 6.577 4.205 1.00 0.00 H new ATOM 0 HA SER A 47 -0.133 8.954 2.356 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.896 10.186 4.240 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.674 9.610 4.764 1.00 0.00 H new ATOM 0 HG SER A 47 0.999 9.127 6.313 1.00 0.00 H new ATOM 759 N ALA A 48 2.315 8.559 2.013 1.00 0.00 N ATOM 760 CA ALA A 48 3.668 8.090 1.607 1.00 0.00 C ATOM 761 C ALA A 48 4.615 8.129 2.808 1.00 0.00 C ATOM 762 O ALA A 48 5.576 7.389 2.879 1.00 0.00 O ATOM 763 CB ALA A 48 4.123 9.072 0.530 1.00 0.00 C ATOM 0 H ALA A 48 2.014 9.437 1.589 1.00 0.00 H new ATOM 0 HA ALA A 48 3.660 7.064 1.239 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.116 8.792 0.179 1.00 0.00 H new ATOM 0 HB2 ALA A 48 3.422 9.047 -0.305 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.156 10.079 0.946 1.00 0.00 H new ATOM 769 N GLU A 49 4.347 8.986 3.757 1.00 0.00 N ATOM 770 CA GLU A 49 5.226 9.069 4.957 1.00 0.00 C ATOM 771 C GLU A 49 4.990 7.853 5.853 1.00 0.00 C ATOM 772 O GLU A 49 5.815 7.499 6.670 1.00 0.00 O ATOM 773 CB GLU A 49 4.810 10.355 5.672 1.00 0.00 C ATOM 774 CG GLU A 49 5.787 11.477 5.311 1.00 0.00 C ATOM 775 CD GLU A 49 5.593 11.876 3.847 1.00 0.00 C ATOM 776 OE1 GLU A 49 4.689 11.346 3.224 1.00 0.00 O ATOM 777 OE2 GLU A 49 6.353 12.706 3.375 1.00 0.00 O ATOM 0 H GLU A 49 3.557 9.632 3.752 1.00 0.00 H new ATOM 0 HA GLU A 49 6.285 9.080 4.698 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.797 10.633 5.383 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.802 10.198 6.751 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.622 12.339 5.958 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.813 11.147 5.475 1.00 0.00 H new ATOM 784 N ASP A 50 3.873 7.201 5.691 1.00 0.00 N ATOM 785 CA ASP A 50 3.587 5.998 6.517 1.00 0.00 C ATOM 786 C ASP A 50 4.268 4.791 5.877 1.00 0.00 C ATOM 787 O ASP A 50 4.672 3.858 6.540 1.00 0.00 O ATOM 788 CB ASP A 50 2.066 5.842 6.487 1.00 0.00 C ATOM 789 CG ASP A 50 1.646 4.734 7.456 1.00 0.00 C ATOM 790 OD1 ASP A 50 2.300 3.705 7.469 1.00 0.00 O ATOM 791 OD2 ASP A 50 0.676 4.935 8.168 1.00 0.00 O ATOM 0 H ASP A 50 3.145 7.450 5.021 1.00 0.00 H new ATOM 0 HA ASP A 50 3.953 6.084 7.540 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.588 6.782 6.764 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.735 5.601 5.477 1.00 0.00 H new ATOM 796 N CYS A 51 4.412 4.825 4.580 1.00 0.00 N ATOM 797 CA CYS A 51 5.076 3.702 3.863 1.00 0.00 C ATOM 798 C CYS A 51 6.584 3.736 4.143 1.00 0.00 C ATOM 799 O CYS A 51 7.199 2.727 4.417 1.00 0.00 O ATOM 800 CB CYS A 51 4.798 3.982 2.377 1.00 0.00 C ATOM 801 SG CYS A 51 6.086 3.231 1.342 1.00 0.00 S ATOM 0 H CYS A 51 4.095 5.589 3.983 1.00 0.00 H new ATOM 0 HA CYS A 51 4.712 2.722 4.172 1.00 0.00 H new ATOM 0 HB2 CYS A 51 3.822 3.583 2.101 1.00 0.00 H new ATOM 0 HB3 CYS A 51 4.763 5.057 2.203 1.00 0.00 H new ATOM 806 N MET A 52 7.184 4.895 4.051 1.00 0.00 N ATOM 807 CA MET A 52 8.656 4.997 4.285 1.00 0.00 C ATOM 808 C MET A 52 9.012 4.571 5.711 1.00 0.00 C ATOM 809 O MET A 52 9.842 3.710 5.920 1.00 0.00 O ATOM 810 CB MET A 52 8.993 6.472 4.068 1.00 0.00 C ATOM 811 CG MET A 52 10.121 6.591 3.041 1.00 0.00 C ATOM 812 SD MET A 52 9.468 7.292 1.505 1.00 0.00 S ATOM 813 CE MET A 52 10.139 6.044 0.381 1.00 0.00 C ATOM 0 H MET A 52 6.719 5.774 3.824 1.00 0.00 H new ATOM 0 HA MET A 52 9.218 4.344 3.617 1.00 0.00 H new ATOM 0 HB2 MET A 52 8.111 7.010 3.720 1.00 0.00 H new ATOM 0 HB3 MET A 52 9.295 6.930 5.010 1.00 0.00 H new ATOM 0 HG2 MET A 52 10.918 7.224 3.432 1.00 0.00 H new ATOM 0 HG3 MET A 52 10.557 5.611 2.849 1.00 0.00 H new ATOM 0 HE1 MET A 52 10.137 6.433 -0.637 1.00 0.00 H new ATOM 0 HE2 MET A 52 11.160 5.801 0.675 1.00 0.00 H new ATOM 0 HE3 MET A 52 9.525 5.145 0.427 1.00 0.00 H new ATOM 823 N ARG A 53 8.399 5.169 6.697 1.00 0.00 N ATOM 824 CA ARG A 53 8.721 4.789 8.102 1.00 0.00 C ATOM 825 C ARG A 53 8.582 3.275 8.284 1.00 0.00 C ATOM 826 O ARG A 53 9.113 2.700 9.213 1.00 0.00 O ATOM 827 CB ARG A 53 7.705 5.535 8.967 1.00 0.00 C ATOM 828 CG ARG A 53 8.256 5.674 10.387 1.00 0.00 C ATOM 829 CD ARG A 53 7.128 6.081 11.337 1.00 0.00 C ATOM 830 NE ARG A 53 6.613 7.366 10.788 1.00 0.00 N ATOM 831 CZ ARG A 53 6.590 8.432 11.539 1.00 0.00 C ATOM 832 NH1 ARG A 53 6.422 8.317 12.827 1.00 0.00 N ATOM 833 NH2 ARG A 53 6.737 9.612 11.001 1.00 0.00 N ATOM 0 H ARG A 53 7.694 5.899 6.592 1.00 0.00 H new ATOM 0 HA ARG A 53 9.744 5.048 8.374 1.00 0.00 H new ATOM 0 HB2 ARG A 53 7.504 6.519 8.545 1.00 0.00 H new ATOM 0 HB3 ARG A 53 6.758 4.995 8.983 1.00 0.00 H new ATOM 0 HG2 ARG A 53 8.696 4.731 10.711 1.00 0.00 H new ATOM 0 HG3 ARG A 53 9.050 6.420 10.408 1.00 0.00 H new ATOM 0 HD2 ARG A 53 6.345 5.323 11.370 1.00 0.00 H new ATOM 0 HD3 ARG A 53 7.494 6.205 12.356 1.00 0.00 H new ATOM 0 HE ARG A 53 6.279 7.412 9.826 1.00 0.00 H new ATOM 0 HH11 ARG A 53 6.309 7.394 13.246 1.00 0.00 H new ATOM 0 HH12 ARG A 53 6.404 9.150 13.415 1.00 0.00 H new ATOM 0 HH21 ARG A 53 6.870 9.700 9.994 1.00 0.00 H new ATOM 0 HH22 ARG A 53 6.719 10.446 11.588 1.00 0.00 H new ATOM 847 N THR A 54 7.875 2.625 7.400 1.00 0.00 N ATOM 848 CA THR A 54 7.706 1.148 7.515 1.00 0.00 C ATOM 849 C THR A 54 8.715 0.430 6.612 1.00 0.00 C ATOM 850 O THR A 54 9.533 -0.344 7.070 1.00 0.00 O ATOM 851 CB THR A 54 6.277 0.876 7.039 1.00 0.00 C ATOM 852 OG1 THR A 54 5.357 1.445 7.961 1.00 0.00 O ATOM 853 CG2 THR A 54 6.045 -0.632 6.947 1.00 0.00 C ATOM 0 H THR A 54 7.406 3.054 6.602 1.00 0.00 H new ATOM 0 HA THR A 54 7.874 0.790 8.531 1.00 0.00 H new ATOM 0 HB THR A 54 6.130 1.323 6.056 1.00 0.00 H new ATOM 0 HG1 THR A 54 5.027 2.298 7.609 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.027 -0.823 6.608 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.751 -1.066 6.239 1.00 0.00 H new ATOM 0 HG23 THR A 54 6.191 -1.083 7.928 1.00 0.00 H new ATOM 861 N CYS A 55 8.661 0.685 5.333 1.00 0.00 N ATOM 862 CA CYS A 55 9.612 0.025 4.391 1.00 0.00 C ATOM 863 C CYS A 55 10.574 1.070 3.813 1.00 0.00 C ATOM 864 O CYS A 55 11.778 0.957 3.940 1.00 0.00 O ATOM 865 CB CYS A 55 8.723 -0.573 3.295 1.00 0.00 C ATOM 866 SG CYS A 55 7.465 -1.629 4.061 1.00 0.00 S ATOM 0 H CYS A 55 7.997 1.325 4.897 1.00 0.00 H new ATOM 0 HA CYS A 55 10.226 -0.738 4.870 1.00 0.00 H new ATOM 0 HB2 CYS A 55 8.247 0.222 2.721 1.00 0.00 H new ATOM 0 HB3 CYS A 55 9.326 -1.153 2.597 1.00 0.00 H new ATOM 871 N GLY A 56 10.050 2.095 3.196 1.00 0.00 N ATOM 872 CA GLY A 56 10.926 3.160 2.623 1.00 0.00 C ATOM 873 C GLY A 56 11.958 2.544 1.678 1.00 0.00 C ATOM 874 O GLY A 56 12.152 1.346 1.647 1.00 0.00 O ATOM 0 H GLY A 56 9.049 2.242 3.063 1.00 0.00 H new ATOM 0 HA2 GLY A 56 10.320 3.889 2.086 1.00 0.00 H new ATOM 0 HA3 GLY A 56 11.432 3.696 3.426 1.00 0.00 H new ATOM 878 N GLY A 57 12.624 3.363 0.908 1.00 0.00 N ATOM 879 CA GLY A 57 13.650 2.839 -0.037 1.00 0.00 C ATOM 880 C GLY A 57 14.574 1.871 0.700 1.00 0.00 C ATOM 881 O GLY A 57 14.279 0.702 0.840 1.00 0.00 O ATOM 0 H GLY A 57 12.500 4.375 0.894 1.00 0.00 H new ATOM 0 HA2 GLY A 57 13.166 2.332 -0.872 1.00 0.00 H new ATOM 0 HA3 GLY A 57 14.228 3.663 -0.456 1.00 0.00 H new ATOM 885 N ALA A 58 15.693 2.346 1.174 1.00 0.00 N ATOM 886 CA ALA A 58 16.632 1.445 1.899 1.00 0.00 C ATOM 887 C ALA A 58 17.940 2.180 2.205 1.00 0.00 C ATOM 888 O ALA A 58 18.171 3.215 1.604 1.00 0.00 O ATOM 889 CB ALA A 58 16.876 0.281 0.939 1.00 0.00 C ATOM 890 OXT ALA A 58 18.689 1.695 3.036 1.00 0.00 O ATOM 0 H ALA A 58 15.997 3.316 1.091 1.00 0.00 H new ATOM 0 HA ALA A 58 16.231 1.107 2.855 1.00 0.00 H new ATOM 0 HB1 ALA A 58 17.561 -0.432 1.398 1.00 0.00 H new ATOM 0 HB2 ALA A 58 15.930 -0.214 0.719 1.00 0.00 H new ATOM 0 HB3 ALA A 58 17.312 0.658 0.014 1.00 0.00 H new TER 896 ALA A 58