USER MOD reduce.3.24.130724 H: found=0, std=0, add=440, rem=0, adj=11 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 Single : A 1 ARG N :NH3+ 146:sc= 0.0306 (180deg=0) USER MOD Single : A 10 TYR OH : rot 100:sc= 0 USER MOD Single : A 11 THR OG1 : rot -61:sc= 1.19 USER MOD Single : A 15 LYS NZ :NH3+ -122:sc= -0.0429 (180deg=-0.151) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot -16:sc= 0.983 USER MOD Single : A 24 ASN : amide:sc= -5.8! C(o=-5.8!,f=-20!) USER MOD Single : A 26 LYS NZ :NH3+ 156:sc= -0.263 (180deg=-1.72!) USER MOD Single : A 31 GLN : amide:sc= -1.5 K(o=-1.5,f=-3!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0383 USER MOD Single : A 35 TYR OH : rot 180:sc= -6.23! USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -4.72! C(o=-4.7!,f=-7.9!) USER MOD Single : A 44 ASN : amide:sc= -8.47! C(o=-8.5!,f=-19!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot -151:sc= -2.02! USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 77:sc= 0.725 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 15.150 -3.670 5.012 1.00 0.00 N ATOM 2 CA ARG A 1 13.767 -3.359 4.546 1.00 0.00 C ATOM 3 C ARG A 1 12.891 -4.613 4.634 1.00 0.00 C ATOM 4 O ARG A 1 13.360 -5.717 4.438 1.00 0.00 O ATOM 5 CB ARG A 1 13.939 -2.896 3.091 1.00 0.00 C ATOM 6 CG ARG A 1 12.698 -3.247 2.259 1.00 0.00 C ATOM 7 CD ARG A 1 12.890 -2.763 0.821 1.00 0.00 C ATOM 8 NE ARG A 1 13.549 -3.898 0.117 1.00 0.00 N ATOM 9 CZ ARG A 1 14.791 -4.195 0.381 1.00 0.00 C ATOM 10 NH1 ARG A 1 15.745 -3.370 0.045 1.00 0.00 N ATOM 11 NH2 ARG A 1 15.079 -5.317 0.982 1.00 0.00 N ATOM 0 H1 ARG A 1 15.835 -3.108 4.467 1.00 0.00 H new ATOM 0 H2 ARG A 1 15.237 -3.437 6.022 1.00 0.00 H new ATOM 0 H3 ARG A 1 15.344 -4.682 4.873 1.00 0.00 H new ATOM 0 HA ARG A 1 13.277 -2.597 5.152 1.00 0.00 H new ATOM 0 HB2 ARG A 1 14.108 -1.820 3.064 1.00 0.00 H new ATOM 0 HB3 ARG A 1 14.820 -3.368 2.656 1.00 0.00 H new ATOM 0 HG2 ARG A 1 12.532 -4.324 2.272 1.00 0.00 H new ATOM 0 HG3 ARG A 1 11.813 -2.783 2.694 1.00 0.00 H new ATOM 0 HD2 ARG A 1 11.936 -2.512 0.358 1.00 0.00 H new ATOM 0 HD3 ARG A 1 13.507 -1.865 0.786 1.00 0.00 H new ATOM 0 HE ARG A 1 13.029 -4.443 -0.571 1.00 0.00 H new ATOM 0 HH11 ARG A 1 15.519 -2.493 -0.424 1.00 0.00 H new ATOM 0 HH12 ARG A 1 16.716 -3.602 0.252 1.00 0.00 H new ATOM 0 HH21 ARG A 1 14.333 -5.961 1.245 1.00 0.00 H new ATOM 0 HH22 ARG A 1 16.050 -5.550 1.189 1.00 0.00 H new ATOM 27 N PRO A 2 11.637 -4.393 4.917 1.00 0.00 N ATOM 28 CA PRO A 2 10.670 -5.513 5.023 1.00 0.00 C ATOM 29 C PRO A 2 10.440 -6.150 3.656 1.00 0.00 C ATOM 30 O PRO A 2 10.748 -5.577 2.630 1.00 0.00 O ATOM 31 CB PRO A 2 9.395 -4.844 5.528 1.00 0.00 C ATOM 32 CG PRO A 2 9.529 -3.413 5.116 1.00 0.00 C ATOM 33 CD PRO A 2 11.001 -3.095 5.162 1.00 0.00 C ATOM 0 HA PRO A 2 11.015 -6.312 5.679 1.00 0.00 H new ATOM 0 HB2 PRO A 2 8.508 -5.301 5.090 1.00 0.00 H new ATOM 0 HB3 PRO A 2 9.300 -4.938 6.610 1.00 0.00 H new ATOM 0 HG2 PRO A 2 9.129 -3.258 4.114 1.00 0.00 H new ATOM 0 HG3 PRO A 2 8.969 -2.761 5.787 1.00 0.00 H new ATOM 0 HD2 PRO A 2 11.278 -2.363 4.404 1.00 0.00 H new ATOM 0 HD3 PRO A 2 11.293 -2.680 6.127 1.00 0.00 H new ATOM 41 N ASP A 3 9.895 -7.330 3.637 1.00 0.00 N ATOM 42 CA ASP A 3 9.640 -8.004 2.337 1.00 0.00 C ATOM 43 C ASP A 3 8.146 -7.957 2.009 1.00 0.00 C ATOM 44 O ASP A 3 7.743 -8.189 0.887 1.00 0.00 O ATOM 45 CB ASP A 3 10.110 -9.449 2.528 1.00 0.00 C ATOM 46 CG ASP A 3 9.593 -9.991 3.863 1.00 0.00 C ATOM 47 OD1 ASP A 3 8.426 -10.340 3.927 1.00 0.00 O ATOM 48 OD2 ASP A 3 10.374 -10.047 4.799 1.00 0.00 O ATOM 0 H ASP A 3 9.615 -7.857 4.464 1.00 0.00 H new ATOM 0 HA ASP A 3 10.163 -7.521 1.512 1.00 0.00 H new ATOM 0 HB2 ASP A 3 9.748 -10.070 1.708 1.00 0.00 H new ATOM 0 HB3 ASP A 3 11.199 -9.493 2.505 1.00 0.00 H new ATOM 53 N PHE A 4 7.317 -7.651 2.974 1.00 0.00 N ATOM 54 CA PHE A 4 5.855 -7.594 2.686 1.00 0.00 C ATOM 55 C PHE A 4 5.550 -6.445 1.726 1.00 0.00 C ATOM 56 O PHE A 4 4.507 -6.402 1.103 1.00 0.00 O ATOM 57 CB PHE A 4 5.166 -7.393 4.040 1.00 0.00 C ATOM 58 CG PHE A 4 5.526 -6.059 4.649 1.00 0.00 C ATOM 59 CD1 PHE A 4 4.974 -4.878 4.139 1.00 0.00 C ATOM 60 CD2 PHE A 4 6.373 -6.005 5.761 1.00 0.00 C ATOM 61 CE1 PHE A 4 5.259 -3.663 4.725 1.00 0.00 C ATOM 62 CE2 PHE A 4 6.665 -4.772 6.355 1.00 0.00 C ATOM 63 CZ PHE A 4 6.106 -3.599 5.837 1.00 0.00 C ATOM 0 H PHE A 4 7.585 -7.441 3.935 1.00 0.00 H new ATOM 0 HA PHE A 4 5.498 -8.504 2.203 1.00 0.00 H new ATOM 0 HB2 PHE A 4 4.085 -7.457 3.913 1.00 0.00 H new ATOM 0 HB3 PHE A 4 5.455 -8.195 4.720 1.00 0.00 H new ATOM 0 HD1 PHE A 4 4.320 -4.919 3.280 1.00 0.00 H new ATOM 0 HD2 PHE A 4 6.801 -6.913 6.160 1.00 0.00 H new ATOM 0 HE1 PHE A 4 4.827 -2.758 4.324 1.00 0.00 H new ATOM 0 HE2 PHE A 4 7.321 -4.726 7.212 1.00 0.00 H new ATOM 0 HZ PHE A 4 6.328 -2.646 6.294 1.00 0.00 H new ATOM 73 N CYS A 5 6.460 -5.523 1.583 1.00 0.00 N ATOM 74 CA CYS A 5 6.229 -4.385 0.647 1.00 0.00 C ATOM 75 C CYS A 5 6.643 -4.781 -0.771 1.00 0.00 C ATOM 76 O CYS A 5 6.400 -4.066 -1.723 1.00 0.00 O ATOM 77 CB CYS A 5 7.114 -3.259 1.168 1.00 0.00 C ATOM 78 SG CYS A 5 6.097 -2.078 2.084 1.00 0.00 S ATOM 0 H CYS A 5 7.354 -5.507 2.073 1.00 0.00 H new ATOM 0 HA CYS A 5 5.181 -4.090 0.603 1.00 0.00 H new ATOM 0 HB2 CYS A 5 7.894 -3.663 1.814 1.00 0.00 H new ATOM 0 HB3 CYS A 5 7.614 -2.760 0.338 1.00 0.00 H new ATOM 83 N LEU A 6 7.262 -5.920 -0.916 1.00 0.00 N ATOM 84 CA LEU A 6 7.691 -6.370 -2.271 1.00 0.00 C ATOM 85 C LEU A 6 6.485 -6.895 -3.053 1.00 0.00 C ATOM 86 O LEU A 6 6.483 -6.924 -4.267 1.00 0.00 O ATOM 87 CB LEU A 6 8.698 -7.493 -2.018 1.00 0.00 C ATOM 88 CG LEU A 6 9.731 -7.035 -0.984 1.00 0.00 C ATOM 89 CD1 LEU A 6 10.803 -8.113 -0.816 1.00 0.00 C ATOM 90 CD2 LEU A 6 10.386 -5.737 -1.461 1.00 0.00 C ATOM 0 H LEU A 6 7.490 -6.559 -0.154 1.00 0.00 H new ATOM 0 HA LEU A 6 8.126 -5.561 -2.858 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.182 -8.384 -1.661 1.00 0.00 H new ATOM 0 HB3 LEU A 6 9.196 -7.765 -2.949 1.00 0.00 H new ATOM 0 HG LEU A 6 9.236 -6.865 -0.028 1.00 0.00 H new ATOM 0 HD11 LEU A 6 11.537 -7.785 -0.080 1.00 0.00 H new ATOM 0 HD12 LEU A 6 10.338 -9.039 -0.477 1.00 0.00 H new ATOM 0 HD13 LEU A 6 11.299 -8.285 -1.771 1.00 0.00 H new ATOM 0 HD21 LEU A 6 11.122 -5.409 -0.726 1.00 0.00 H new ATOM 0 HD22 LEU A 6 10.880 -5.909 -2.417 1.00 0.00 H new ATOM 0 HD23 LEU A 6 9.624 -4.967 -1.579 1.00 0.00 H new ATOM 102 N GLU A 7 5.459 -7.312 -2.362 1.00 0.00 N ATOM 103 CA GLU A 7 4.250 -7.836 -3.061 1.00 0.00 C ATOM 104 C GLU A 7 3.358 -6.681 -3.519 1.00 0.00 C ATOM 105 O GLU A 7 3.618 -5.534 -3.214 1.00 0.00 O ATOM 106 CB GLU A 7 3.528 -8.687 -2.015 1.00 0.00 C ATOM 107 CG GLU A 7 3.716 -10.168 -2.345 1.00 0.00 C ATOM 108 CD GLU A 7 3.558 -11.000 -1.071 1.00 0.00 C ATOM 109 OE1 GLU A 7 2.432 -11.167 -0.632 1.00 0.00 O ATOM 110 OE2 GLU A 7 4.565 -11.457 -0.556 1.00 0.00 O ATOM 0 H GLU A 7 5.405 -7.313 -1.343 1.00 0.00 H new ATOM 0 HA GLU A 7 4.505 -8.410 -3.952 1.00 0.00 H new ATOM 0 HB2 GLU A 7 3.921 -8.472 -1.021 1.00 0.00 H new ATOM 0 HB3 GLU A 7 2.467 -8.439 -1.998 1.00 0.00 H new ATOM 0 HG2 GLU A 7 2.984 -10.481 -3.089 1.00 0.00 H new ATOM 0 HG3 GLU A 7 4.702 -10.332 -2.779 1.00 0.00 H new ATOM 117 N PRO A 8 2.327 -7.026 -4.244 1.00 0.00 N ATOM 118 CA PRO A 8 1.379 -6.007 -4.755 1.00 0.00 C ATOM 119 C PRO A 8 0.478 -5.504 -3.623 1.00 0.00 C ATOM 120 O PRO A 8 0.409 -6.107 -2.570 1.00 0.00 O ATOM 121 CB PRO A 8 0.564 -6.768 -5.796 1.00 0.00 C ATOM 122 CG PRO A 8 0.648 -8.204 -5.384 1.00 0.00 C ATOM 123 CD PRO A 8 1.955 -8.384 -4.654 1.00 0.00 C ATOM 0 HA PRO A 8 1.874 -5.128 -5.166 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -0.470 -6.424 -5.816 1.00 0.00 H new ATOM 0 HB3 PRO A 8 0.968 -6.621 -6.798 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -0.191 -8.469 -4.741 1.00 0.00 H new ATOM 0 HG3 PRO A 8 0.601 -8.857 -6.255 1.00 0.00 H new ATOM 0 HD2 PRO A 8 1.843 -9.043 -3.793 1.00 0.00 H new ATOM 0 HD3 PRO A 8 2.714 -8.827 -5.299 1.00 0.00 H new ATOM 131 N PRO A 9 -0.190 -4.414 -3.884 1.00 0.00 N ATOM 132 CA PRO A 9 -1.103 -3.824 -2.877 1.00 0.00 C ATOM 133 C PRO A 9 -2.354 -4.694 -2.721 1.00 0.00 C ATOM 134 O PRO A 9 -2.462 -5.750 -3.312 1.00 0.00 O ATOM 135 CB PRO A 9 -1.447 -2.456 -3.461 1.00 0.00 C ATOM 136 CG PRO A 9 -1.231 -2.594 -4.933 1.00 0.00 C ATOM 137 CD PRO A 9 -0.164 -3.642 -5.130 1.00 0.00 C ATOM 0 HA PRO A 9 -0.662 -3.751 -1.883 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -2.478 -2.180 -3.238 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.811 -1.677 -3.041 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -2.155 -2.887 -5.432 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -0.922 -1.643 -5.367 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -0.378 -4.271 -5.994 1.00 0.00 H new ATOM 0 HD3 PRO A 9 0.813 -3.190 -5.299 1.00 0.00 H new ATOM 145 N TYR A 10 -3.295 -4.265 -1.926 1.00 0.00 N ATOM 146 CA TYR A 10 -4.530 -5.079 -1.732 1.00 0.00 C ATOM 147 C TYR A 10 -5.776 -4.236 -1.982 1.00 0.00 C ATOM 148 O TYR A 10 -6.289 -3.582 -1.096 1.00 0.00 O ATOM 149 CB TYR A 10 -4.471 -5.531 -0.272 1.00 0.00 C ATOM 150 CG TYR A 10 -5.602 -6.492 0.008 1.00 0.00 C ATOM 151 CD1 TYR A 10 -5.461 -7.850 -0.305 1.00 0.00 C ATOM 152 CD2 TYR A 10 -6.789 -6.025 0.583 1.00 0.00 C ATOM 153 CE1 TYR A 10 -6.510 -8.740 -0.042 1.00 0.00 C ATOM 154 CE2 TYR A 10 -7.837 -6.916 0.846 1.00 0.00 C ATOM 155 CZ TYR A 10 -7.697 -8.274 0.533 1.00 0.00 C ATOM 156 OH TYR A 10 -8.730 -9.151 0.794 1.00 0.00 O ATOM 0 H TYR A 10 -3.264 -3.389 -1.404 1.00 0.00 H new ATOM 0 HA TYR A 10 -4.582 -5.920 -2.424 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -3.514 -6.011 -0.068 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.542 -4.668 0.389 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -4.545 -8.210 -0.749 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -6.897 -4.978 0.824 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -6.402 -9.787 -0.283 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -8.753 -6.556 1.290 1.00 0.00 H new ATOM 0 HH TYR A 10 -8.721 -9.394 1.743 1.00 0.00 H new ATOM 166 N THR A 11 -6.279 -4.274 -3.183 1.00 0.00 N ATOM 167 CA THR A 11 -7.510 -3.507 -3.496 1.00 0.00 C ATOM 168 C THR A 11 -8.661 -4.109 -2.694 1.00 0.00 C ATOM 169 O THR A 11 -9.663 -3.471 -2.439 1.00 0.00 O ATOM 170 CB THR A 11 -7.727 -3.689 -5.003 1.00 0.00 C ATOM 171 OG1 THR A 11 -6.947 -2.734 -5.707 1.00 0.00 O ATOM 172 CG2 THR A 11 -9.204 -3.486 -5.346 1.00 0.00 C ATOM 0 H THR A 11 -5.888 -4.805 -3.961 1.00 0.00 H new ATOM 0 HA THR A 11 -7.442 -2.449 -3.243 1.00 0.00 H new ATOM 0 HB THR A 11 -7.427 -4.697 -5.290 1.00 0.00 H new ATOM 0 HG1 THR A 11 -7.232 -1.830 -5.457 1.00 0.00 H new ATOM 0 HG21 THR A 11 -9.350 -3.617 -6.418 1.00 0.00 H new ATOM 0 HG22 THR A 11 -9.807 -4.216 -4.806 1.00 0.00 H new ATOM 0 HG23 THR A 11 -9.509 -2.480 -5.059 1.00 0.00 H new ATOM 180 N GLY A 12 -8.516 -5.346 -2.301 1.00 0.00 N ATOM 181 CA GLY A 12 -9.593 -6.012 -1.514 1.00 0.00 C ATOM 182 C GLY A 12 -10.883 -6.044 -2.335 1.00 0.00 C ATOM 183 O GLY A 12 -11.110 -5.192 -3.171 1.00 0.00 O ATOM 0 H GLY A 12 -7.698 -5.924 -2.491 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -9.292 -7.026 -1.252 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -9.758 -5.477 -0.579 1.00 0.00 H new ATOM 187 N PRO A 13 -11.689 -7.035 -2.066 1.00 0.00 N ATOM 188 CA PRO A 13 -12.976 -7.188 -2.786 1.00 0.00 C ATOM 189 C PRO A 13 -13.991 -6.151 -2.297 1.00 0.00 C ATOM 190 O PRO A 13 -14.826 -6.431 -1.460 1.00 0.00 O ATOM 191 CB PRO A 13 -13.423 -8.601 -2.425 1.00 0.00 C ATOM 192 CG PRO A 13 -12.752 -8.902 -1.122 1.00 0.00 C ATOM 193 CD PRO A 13 -11.478 -8.096 -1.076 1.00 0.00 C ATOM 0 HA PRO A 13 -12.885 -7.037 -3.862 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -14.507 -8.660 -2.333 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -13.129 -9.316 -3.194 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -13.402 -8.642 -0.286 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -12.536 -9.967 -1.038 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -11.303 -7.684 -0.082 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -10.611 -8.707 -1.326 1.00 0.00 H new ATOM 201 N CYS A 14 -13.924 -4.955 -2.814 1.00 0.00 N ATOM 202 CA CYS A 14 -14.885 -3.900 -2.381 1.00 0.00 C ATOM 203 C CYS A 14 -15.209 -2.969 -3.552 1.00 0.00 C ATOM 204 O CYS A 14 -14.654 -3.091 -4.627 1.00 0.00 O ATOM 205 CB CYS A 14 -14.168 -3.134 -1.267 1.00 0.00 C ATOM 206 SG CYS A 14 -14.668 -3.801 0.339 1.00 0.00 S ATOM 0 H CYS A 14 -13.246 -4.662 -3.517 1.00 0.00 H new ATOM 0 HA CYS A 14 -15.830 -4.321 -2.038 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -13.088 -3.220 -1.388 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -14.412 -2.073 -1.325 1.00 0.00 H new ATOM 211 N LYS A 15 -16.103 -2.039 -3.354 1.00 0.00 N ATOM 212 CA LYS A 15 -16.462 -1.101 -4.457 1.00 0.00 C ATOM 213 C LYS A 15 -15.915 0.297 -4.159 1.00 0.00 C ATOM 214 O LYS A 15 -16.076 1.216 -4.937 1.00 0.00 O ATOM 215 CB LYS A 15 -17.991 -1.082 -4.485 1.00 0.00 C ATOM 216 CG LYS A 15 -18.514 -2.471 -4.859 1.00 0.00 C ATOM 217 CD LYS A 15 -19.800 -2.757 -4.082 1.00 0.00 C ATOM 218 CE LYS A 15 -21.010 -2.478 -4.976 1.00 0.00 C ATOM 219 NZ LYS A 15 -21.265 -1.017 -4.834 1.00 0.00 N ATOM 0 H LYS A 15 -16.601 -1.888 -2.477 1.00 0.00 H new ATOM 0 HA LYS A 15 -16.042 -1.411 -5.414 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -18.379 -0.786 -3.510 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -18.343 -0.344 -5.206 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -18.705 -2.523 -5.931 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -17.763 -3.228 -4.632 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -19.813 -3.795 -3.748 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -19.844 -2.134 -3.188 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -20.804 -2.744 -6.013 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -21.875 -3.062 -4.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -22.234 -0.866 -4.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -20.588 -0.611 -4.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -21.151 -0.553 -5.758 1.00 0.00 H new ATOM 233 N ALA A 16 -15.269 0.465 -3.038 1.00 0.00 N ATOM 234 CA ALA A 16 -14.715 1.805 -2.692 1.00 0.00 C ATOM 235 C ALA A 16 -13.565 2.159 -3.638 1.00 0.00 C ATOM 236 O ALA A 16 -12.987 1.301 -4.277 1.00 0.00 O ATOM 237 CB ALA A 16 -14.206 1.666 -1.257 1.00 0.00 C ATOM 0 H ALA A 16 -15.101 -0.266 -2.347 1.00 0.00 H new ATOM 0 HA ALA A 16 -15.459 2.597 -2.784 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -13.781 2.615 -0.928 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -15.033 1.392 -0.602 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -13.440 0.892 -1.216 1.00 0.00 H new ATOM 243 N ARG A 17 -13.230 3.416 -3.733 1.00 0.00 N ATOM 244 CA ARG A 17 -12.119 3.824 -4.639 1.00 0.00 C ATOM 245 C ARG A 17 -11.218 4.839 -3.935 1.00 0.00 C ATOM 246 O ARG A 17 -11.166 5.998 -4.297 1.00 0.00 O ATOM 247 CB ARG A 17 -12.805 4.461 -5.848 1.00 0.00 C ATOM 248 CG ARG A 17 -12.810 3.471 -7.014 1.00 0.00 C ATOM 249 CD ARG A 17 -11.489 3.577 -7.780 1.00 0.00 C ATOM 250 NE ARG A 17 -11.885 3.732 -9.208 1.00 0.00 N ATOM 251 CZ ARG A 17 -11.876 4.913 -9.763 1.00 0.00 C ATOM 252 NH1 ARG A 17 -10.758 5.414 -10.212 1.00 0.00 N ATOM 253 NH2 ARG A 17 -12.986 5.591 -9.872 1.00 0.00 N ATOM 0 H ARG A 17 -13.677 4.178 -3.223 1.00 0.00 H new ATOM 0 HA ARG A 17 -11.489 2.983 -4.928 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -13.826 4.743 -5.593 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -12.284 5.374 -6.135 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -12.946 2.456 -6.642 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -13.647 3.682 -7.680 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -10.901 4.429 -7.438 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -10.875 2.688 -7.634 1.00 0.00 H new ATOM 0 HE ARG A 17 -12.163 2.915 -9.752 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -9.891 4.883 -10.129 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -10.751 6.337 -10.646 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -13.860 5.198 -9.523 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -12.979 6.514 -10.306 1.00 0.00 H new ATOM 267 N ILE A 18 -10.505 4.409 -2.931 1.00 0.00 N ATOM 268 CA ILE A 18 -9.604 5.344 -2.200 1.00 0.00 C ATOM 269 C ILE A 18 -8.176 5.223 -2.735 1.00 0.00 C ATOM 270 O ILE A 18 -7.778 4.194 -3.244 1.00 0.00 O ATOM 271 CB ILE A 18 -9.673 4.903 -0.739 1.00 0.00 C ATOM 272 CG1 ILE A 18 -11.138 4.839 -0.296 1.00 0.00 C ATOM 273 CG2 ILE A 18 -8.924 5.910 0.135 1.00 0.00 C ATOM 274 CD1 ILE A 18 -11.216 4.331 1.144 1.00 0.00 C ATOM 0 H ILE A 18 -10.507 3.450 -2.585 1.00 0.00 H new ATOM 0 HA ILE A 18 -9.901 6.386 -2.321 1.00 0.00 H new ATOM 0 HB ILE A 18 -9.215 3.919 -0.635 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -11.594 5.826 -0.369 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -11.700 4.178 -0.956 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -8.974 5.595 1.177 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -7.882 5.960 -0.180 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -9.382 6.894 0.031 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -12.259 4.286 1.458 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -10.776 3.336 1.203 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -10.669 5.009 1.799 1.00 0.00 H new ATOM 286 N ILE A 19 -7.404 6.268 -2.627 1.00 0.00 N ATOM 287 CA ILE A 19 -6.003 6.217 -3.133 1.00 0.00 C ATOM 288 C ILE A 19 -5.032 5.930 -1.985 1.00 0.00 C ATOM 289 O ILE A 19 -4.480 6.832 -1.388 1.00 0.00 O ATOM 290 CB ILE A 19 -5.749 7.604 -3.721 1.00 0.00 C ATOM 291 CG1 ILE A 19 -6.784 7.891 -4.812 1.00 0.00 C ATOM 292 CG2 ILE A 19 -4.346 7.653 -4.325 1.00 0.00 C ATOM 293 CD1 ILE A 19 -6.524 6.981 -6.015 1.00 0.00 C ATOM 0 H ILE A 19 -7.682 7.156 -2.210 1.00 0.00 H new ATOM 0 HA ILE A 19 -5.857 5.427 -3.870 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.831 8.353 -2.934 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -7.790 7.724 -4.427 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -6.728 8.937 -5.115 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.165 8.643 -4.745 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.609 7.447 -3.549 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -4.263 6.904 -5.113 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.261 7.185 -6.792 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.524 7.170 -6.405 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -6.602 5.939 -5.706 1.00 0.00 H new ATOM 305 N ARG A 20 -4.815 4.681 -1.676 1.00 0.00 N ATOM 306 CA ARG A 20 -3.875 4.338 -0.571 1.00 0.00 C ATOM 307 C ARG A 20 -2.442 4.257 -1.105 1.00 0.00 C ATOM 308 O ARG A 20 -2.209 4.341 -2.296 1.00 0.00 O ATOM 309 CB ARG A 20 -4.339 2.973 -0.063 1.00 0.00 C ATOM 310 CG ARG A 20 -5.544 3.157 0.863 1.00 0.00 C ATOM 311 CD ARG A 20 -5.094 3.842 2.156 1.00 0.00 C ATOM 312 NE ARG A 20 -6.261 4.664 2.582 1.00 0.00 N ATOM 313 CZ ARG A 20 -6.109 5.937 2.823 1.00 0.00 C ATOM 314 NH1 ARG A 20 -5.420 6.679 2.000 1.00 0.00 N ATOM 315 NH2 ARG A 20 -6.650 6.470 3.884 1.00 0.00 N ATOM 0 H ARG A 20 -5.248 3.883 -2.141 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.877 5.087 0.221 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.607 2.332 -0.903 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.529 2.477 0.471 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.308 3.756 0.368 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.994 2.190 1.089 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.827 3.110 2.918 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.214 4.463 1.988 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.179 4.231 2.685 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.000 6.264 1.168 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.301 7.674 2.188 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.192 5.891 4.526 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -6.531 7.465 4.072 1.00 0.00 H new ATOM 329 N TYR A 21 -1.478 4.100 -0.239 1.00 0.00 N ATOM 330 CA TYR A 21 -0.066 4.022 -0.710 1.00 0.00 C ATOM 331 C TYR A 21 0.511 2.628 -0.477 1.00 0.00 C ATOM 332 O TYR A 21 0.129 1.928 0.440 1.00 0.00 O ATOM 333 CB TYR A 21 0.694 5.047 0.127 1.00 0.00 C ATOM 334 CG TYR A 21 0.382 6.432 -0.374 1.00 0.00 C ATOM 335 CD1 TYR A 21 -0.733 7.114 0.121 1.00 0.00 C ATOM 336 CD2 TYR A 21 1.206 7.032 -1.332 1.00 0.00 C ATOM 337 CE1 TYR A 21 -1.025 8.402 -0.340 1.00 0.00 C ATOM 338 CE2 TYR A 21 0.915 8.320 -1.795 1.00 0.00 C ATOM 339 CZ TYR A 21 -0.202 9.006 -1.300 1.00 0.00 C ATOM 340 OH TYR A 21 -0.490 10.276 -1.756 1.00 0.00 O ATOM 0 H TYR A 21 -1.606 4.023 0.770 1.00 0.00 H new ATOM 0 HA TYR A 21 0.009 4.221 -1.779 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.413 4.956 1.176 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.766 4.859 0.066 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.369 6.647 0.859 1.00 0.00 H new ATOM 0 HD2 TYR A 21 2.066 6.502 -1.714 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.885 8.931 0.044 1.00 0.00 H new ATOM 0 HE2 TYR A 21 1.551 8.785 -2.534 1.00 0.00 H new ATOM 0 HH TYR A 21 0.181 10.546 -2.418 1.00 0.00 H new ATOM 350 N PHE A 22 1.440 2.231 -1.299 1.00 0.00 N ATOM 351 CA PHE A 22 2.069 0.892 -1.135 1.00 0.00 C ATOM 352 C PHE A 22 3.506 0.938 -1.658 1.00 0.00 C ATOM 353 O PHE A 22 3.888 1.847 -2.367 1.00 0.00 O ATOM 354 CB PHE A 22 1.201 -0.062 -1.960 1.00 0.00 C ATOM 355 CG PHE A 22 1.593 -0.010 -3.418 1.00 0.00 C ATOM 356 CD1 PHE A 22 2.601 -0.854 -3.900 1.00 0.00 C ATOM 357 CD2 PHE A 22 0.946 0.878 -4.287 1.00 0.00 C ATOM 358 CE1 PHE A 22 2.962 -0.811 -5.253 1.00 0.00 C ATOM 359 CE2 PHE A 22 1.309 0.921 -5.639 1.00 0.00 C ATOM 360 CZ PHE A 22 2.316 0.077 -6.122 1.00 0.00 C ATOM 0 H PHE A 22 1.793 2.780 -2.083 1.00 0.00 H new ATOM 0 HA PHE A 22 2.122 0.570 -0.095 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.311 -1.079 -1.584 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.150 0.207 -1.850 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.100 -1.538 -3.229 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.168 1.529 -3.915 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.738 -1.463 -5.626 1.00 0.00 H new ATOM 0 HE2 PHE A 22 0.812 1.606 -6.310 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.595 0.111 -7.165 1.00 0.00 H new ATOM 370 N TYR A 23 4.309 -0.022 -1.309 1.00 0.00 N ATOM 371 CA TYR A 23 5.724 -0.011 -1.785 1.00 0.00 C ATOM 372 C TYR A 23 5.841 -0.691 -3.153 1.00 0.00 C ATOM 373 O TYR A 23 5.336 -1.775 -3.362 1.00 0.00 O ATOM 374 CB TYR A 23 6.511 -0.799 -0.738 1.00 0.00 C ATOM 375 CG TYR A 23 7.979 -0.711 -1.074 1.00 0.00 C ATOM 376 CD1 TYR A 23 8.667 0.495 -0.885 1.00 0.00 C ATOM 377 CD2 TYR A 23 8.647 -1.825 -1.594 1.00 0.00 C ATOM 378 CE1 TYR A 23 10.025 0.585 -1.215 1.00 0.00 C ATOM 379 CE2 TYR A 23 10.005 -1.735 -1.924 1.00 0.00 C ATOM 380 CZ TYR A 23 10.694 -0.529 -1.735 1.00 0.00 C ATOM 381 OH TYR A 23 12.032 -0.441 -2.061 1.00 0.00 O ATOM 0 H TYR A 23 4.053 -0.813 -0.718 1.00 0.00 H new ATOM 0 HA TYR A 23 6.099 1.006 -1.902 1.00 0.00 H new ATOM 0 HB2 TYR A 23 6.326 -0.396 0.257 1.00 0.00 H new ATOM 0 HB3 TYR A 23 6.187 -1.840 -0.725 1.00 0.00 H new ATOM 0 HD1 TYR A 23 8.150 1.355 -0.485 1.00 0.00 H new ATOM 0 HD2 TYR A 23 8.116 -2.754 -1.741 1.00 0.00 H new ATOM 0 HE1 TYR A 23 10.556 1.514 -1.068 1.00 0.00 H new ATOM 0 HE2 TYR A 23 10.522 -2.595 -2.324 1.00 0.00 H new ATOM 0 HH TYR A 23 12.294 0.502 -2.115 1.00 0.00 H new ATOM 391 N ASN A 24 6.516 -0.069 -4.083 1.00 0.00 N ATOM 392 CA ASN A 24 6.676 -0.689 -5.430 1.00 0.00 C ATOM 393 C ASN A 24 8.079 -1.283 -5.564 1.00 0.00 C ATOM 394 O ASN A 24 8.994 -0.632 -6.024 1.00 0.00 O ATOM 395 CB ASN A 24 6.490 0.453 -6.427 1.00 0.00 C ATOM 396 CG ASN A 24 6.571 -0.098 -7.851 1.00 0.00 C ATOM 397 OD1 ASN A 24 7.482 -0.830 -8.181 1.00 0.00 O ATOM 398 ND2 ASN A 24 5.647 0.221 -8.715 1.00 0.00 N ATOM 0 H ASN A 24 6.963 0.841 -3.968 1.00 0.00 H new ATOM 0 HA ASN A 24 5.961 -1.494 -5.599 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.527 0.937 -6.267 1.00 0.00 H new ATOM 0 HB3 ASN A 24 7.257 1.212 -6.275 1.00 0.00 H new ATOM 0 HD21 ASN A 24 5.690 -0.144 -9.666 1.00 0.00 H new ATOM 0 HD22 ASN A 24 4.881 0.836 -8.439 1.00 0.00 H new ATOM 405 N ALA A 25 8.261 -2.510 -5.162 1.00 0.00 N ATOM 406 CA ALA A 25 9.612 -3.128 -5.271 1.00 0.00 C ATOM 407 C ALA A 25 10.212 -2.824 -6.644 1.00 0.00 C ATOM 408 O ALA A 25 11.409 -2.677 -6.792 1.00 0.00 O ATOM 409 CB ALA A 25 9.382 -4.630 -5.101 1.00 0.00 C ATOM 0 H ALA A 25 7.537 -3.109 -4.765 1.00 0.00 H new ATOM 0 HA ALA A 25 10.307 -2.743 -4.525 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.335 -5.154 -5.170 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.932 -4.821 -4.127 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.714 -4.987 -5.885 1.00 0.00 H new ATOM 415 N LYS A 26 9.386 -2.721 -7.648 1.00 0.00 N ATOM 416 CA LYS A 26 9.908 -2.419 -9.010 1.00 0.00 C ATOM 417 C LYS A 26 10.353 -0.956 -9.084 1.00 0.00 C ATOM 418 O LYS A 26 11.188 -0.592 -9.888 1.00 0.00 O ATOM 419 CB LYS A 26 8.733 -2.674 -9.953 1.00 0.00 C ATOM 420 CG LYS A 26 8.786 -4.118 -10.452 1.00 0.00 C ATOM 421 CD LYS A 26 7.534 -4.865 -9.994 1.00 0.00 C ATOM 422 CE LYS A 26 7.542 -6.280 -10.577 1.00 0.00 C ATOM 423 NZ LYS A 26 8.884 -6.828 -10.235 1.00 0.00 N ATOM 0 H LYS A 26 8.374 -2.833 -7.585 1.00 0.00 H new ATOM 0 HA LYS A 26 10.772 -3.030 -9.270 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.791 -2.491 -9.436 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.773 -1.985 -10.796 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.854 -4.135 -11.540 1.00 0.00 H new ATOM 0 HG3 LYS A 26 9.678 -4.613 -10.069 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.502 -4.909 -8.905 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.640 -4.332 -10.318 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.746 -6.888 -10.148 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.385 -6.264 -11.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 8.841 -7.867 -10.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.577 -6.520 -10.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 9.173 -6.480 -9.298 1.00 0.00 H new ATOM 437 N ALA A 27 9.805 -0.116 -8.248 1.00 0.00 N ATOM 438 CA ALA A 27 10.204 1.320 -8.270 1.00 0.00 C ATOM 439 C ALA A 27 11.242 1.596 -7.179 1.00 0.00 C ATOM 440 O ALA A 27 12.125 2.415 -7.342 1.00 0.00 O ATOM 441 CB ALA A 27 8.917 2.096 -7.993 1.00 0.00 C ATOM 0 H ALA A 27 9.100 -0.361 -7.553 1.00 0.00 H new ATOM 0 HA ALA A 27 10.655 1.608 -9.220 1.00 0.00 H new ATOM 0 HB1 ALA A 27 9.130 3.165 -7.993 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.183 1.872 -8.767 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.519 1.805 -7.021 1.00 0.00 H new ATOM 447 N GLY A 28 11.145 0.918 -6.069 1.00 0.00 N ATOM 448 CA GLY A 28 12.126 1.141 -4.968 1.00 0.00 C ATOM 449 C GLY A 28 11.500 2.034 -3.894 1.00 0.00 C ATOM 450 O GLY A 28 12.018 2.168 -2.803 1.00 0.00 O ATOM 0 H GLY A 28 10.428 0.218 -5.876 1.00 0.00 H new ATOM 0 HA2 GLY A 28 12.423 0.187 -4.533 1.00 0.00 H new ATOM 0 HA3 GLY A 28 13.029 1.607 -5.361 1.00 0.00 H new ATOM 454 N LEU A 29 10.385 2.641 -4.194 1.00 0.00 N ATOM 455 CA LEU A 29 9.720 3.522 -3.197 1.00 0.00 C ATOM 456 C LEU A 29 8.256 3.106 -3.044 1.00 0.00 C ATOM 457 O LEU A 29 7.923 1.939 -3.114 1.00 0.00 O ATOM 458 CB LEU A 29 9.814 4.937 -3.778 1.00 0.00 C ATOM 459 CG LEU A 29 11.174 5.140 -4.453 1.00 0.00 C ATOM 460 CD1 LEU A 29 11.080 4.727 -5.923 1.00 0.00 C ATOM 461 CD2 LEU A 29 11.568 6.617 -4.366 1.00 0.00 C ATOM 0 H LEU A 29 9.905 2.563 -5.091 1.00 0.00 H new ATOM 0 HA LEU A 29 10.185 3.461 -2.213 1.00 0.00 H new ATOM 0 HB2 LEU A 29 9.013 5.096 -4.501 1.00 0.00 H new ATOM 0 HB3 LEU A 29 9.679 5.673 -2.986 1.00 0.00 H new ATOM 0 HG LEU A 29 11.925 4.530 -3.950 1.00 0.00 H new ATOM 0 HD11 LEU A 29 12.047 4.871 -6.404 1.00 0.00 H new ATOM 0 HD12 LEU A 29 10.795 3.677 -5.988 1.00 0.00 H new ATOM 0 HD13 LEU A 29 10.330 5.338 -6.425 1.00 0.00 H new ATOM 0 HD21 LEU A 29 12.536 6.764 -4.846 1.00 0.00 H new ATOM 0 HD22 LEU A 29 10.817 7.224 -4.871 1.00 0.00 H new ATOM 0 HD23 LEU A 29 11.633 6.915 -3.320 1.00 0.00 H new ATOM 473 N CYS A 30 7.385 4.052 -2.844 1.00 0.00 N ATOM 474 CA CYS A 30 5.942 3.716 -2.690 1.00 0.00 C ATOM 475 C CYS A 30 5.107 4.437 -3.750 1.00 0.00 C ATOM 476 O CYS A 30 5.504 5.453 -4.286 1.00 0.00 O ATOM 477 CB CYS A 30 5.559 4.209 -1.294 1.00 0.00 C ATOM 478 SG CYS A 30 6.367 3.182 -0.044 1.00 0.00 S ATOM 0 H CYS A 30 7.609 5.045 -2.780 1.00 0.00 H new ATOM 0 HA CYS A 30 5.761 2.648 -2.812 1.00 0.00 H new ATOM 0 HB2 CYS A 30 5.856 5.250 -1.171 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.477 4.169 -1.168 1.00 0.00 H new ATOM 483 N GLN A 31 3.946 3.922 -4.044 1.00 0.00 N ATOM 484 CA GLN A 31 3.073 4.574 -5.058 1.00 0.00 C ATOM 485 C GLN A 31 1.616 4.515 -4.592 1.00 0.00 C ATOM 486 O GLN A 31 1.320 4.037 -3.516 1.00 0.00 O ATOM 487 CB GLN A 31 3.265 3.759 -6.337 1.00 0.00 C ATOM 488 CG GLN A 31 4.752 3.717 -6.695 1.00 0.00 C ATOM 489 CD GLN A 31 4.924 3.921 -8.202 1.00 0.00 C ATOM 490 OE1 GLN A 31 4.065 4.482 -8.853 1.00 0.00 O ATOM 491 NE2 GLN A 31 6.007 3.486 -8.788 1.00 0.00 N ATOM 0 H GLN A 31 3.563 3.075 -3.624 1.00 0.00 H new ATOM 0 HA GLN A 31 3.322 5.624 -5.213 1.00 0.00 H new ATOM 0 HB2 GLN A 31 2.885 2.747 -6.197 1.00 0.00 H new ATOM 0 HB3 GLN A 31 2.696 4.203 -7.153 1.00 0.00 H new ATOM 0 HG2 GLN A 31 5.290 4.492 -6.149 1.00 0.00 H new ATOM 0 HG3 GLN A 31 5.181 2.761 -6.396 1.00 0.00 H new ATOM 0 HE21 GLN A 31 6.728 3.015 -8.242 1.00 0.00 H new ATOM 0 HE22 GLN A 31 6.132 3.617 -9.792 1.00 0.00 H new ATOM 500 N THR A 32 0.704 4.998 -5.386 1.00 0.00 N ATOM 501 CA THR A 32 -0.726 4.963 -4.970 1.00 0.00 C ATOM 502 C THR A 32 -1.465 3.829 -5.683 1.00 0.00 C ATOM 503 O THR A 32 -1.208 3.531 -6.832 1.00 0.00 O ATOM 504 CB THR A 32 -1.292 6.319 -5.394 1.00 0.00 C ATOM 505 OG1 THR A 32 -0.916 6.587 -6.738 1.00 0.00 O ATOM 506 CG2 THR A 32 -0.744 7.415 -4.478 1.00 0.00 C ATOM 0 H THR A 32 0.884 5.413 -6.300 1.00 0.00 H new ATOM 0 HA THR A 32 -0.838 4.786 -3.900 1.00 0.00 H new ATOM 0 HB THR A 32 -2.379 6.299 -5.318 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.279 7.455 -7.012 1.00 0.00 H new ATOM 0 HG21 THR A 32 -1.149 8.380 -4.783 1.00 0.00 H new ATOM 0 HG22 THR A 32 -1.035 7.208 -3.448 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.343 7.439 -4.550 1.00 0.00 H new ATOM 514 N PHE A 33 -2.393 3.204 -5.011 1.00 0.00 N ATOM 515 CA PHE A 33 -3.166 2.099 -5.650 1.00 0.00 C ATOM 516 C PHE A 33 -4.628 2.166 -5.209 1.00 0.00 C ATOM 517 O PHE A 33 -4.962 2.789 -4.220 1.00 0.00 O ATOM 518 CB PHE A 33 -2.497 0.798 -5.187 1.00 0.00 C ATOM 519 CG PHE A 33 -2.926 0.447 -3.780 1.00 0.00 C ATOM 520 CD1 PHE A 33 -2.265 1.008 -2.678 1.00 0.00 C ATOM 521 CD2 PHE A 33 -3.982 -0.451 -3.577 1.00 0.00 C ATOM 522 CE1 PHE A 33 -2.662 0.673 -1.379 1.00 0.00 C ATOM 523 CE2 PHE A 33 -4.378 -0.786 -2.275 1.00 0.00 C ATOM 524 CZ PHE A 33 -3.717 -0.225 -1.177 1.00 0.00 C ATOM 0 H PHE A 33 -2.650 3.411 -4.046 1.00 0.00 H new ATOM 0 HA PHE A 33 -3.163 2.167 -6.738 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.760 -0.013 -5.866 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.413 0.907 -5.225 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.449 1.699 -2.832 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -4.491 -0.885 -4.424 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.154 1.108 -0.531 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -5.193 -1.477 -2.119 1.00 0.00 H new ATOM 0 HZ PHE A 33 -4.021 -0.485 -0.174 1.00 0.00 H new ATOM 534 N VAL A 34 -5.506 1.550 -5.948 1.00 0.00 N ATOM 535 CA VAL A 34 -6.954 1.600 -5.586 1.00 0.00 C ATOM 536 C VAL A 34 -7.247 0.694 -4.390 1.00 0.00 C ATOM 537 O VAL A 34 -7.241 -0.516 -4.496 1.00 0.00 O ATOM 538 CB VAL A 34 -7.694 1.107 -6.828 1.00 0.00 C ATOM 539 CG1 VAL A 34 -9.146 0.789 -6.463 1.00 0.00 C ATOM 540 CG2 VAL A 34 -7.668 2.199 -7.899 1.00 0.00 C ATOM 0 H VAL A 34 -5.287 1.013 -6.787 1.00 0.00 H new ATOM 0 HA VAL A 34 -7.265 2.604 -5.297 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.209 0.208 -7.209 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -9.675 0.437 -7.349 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -9.167 0.015 -5.696 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -9.631 1.688 -6.084 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -8.195 1.850 -8.787 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -8.155 3.096 -7.516 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -6.635 2.430 -8.158 1.00 0.00 H new ATOM 550 N TYR A 35 -7.513 1.276 -3.254 1.00 0.00 N ATOM 551 CA TYR A 35 -7.813 0.458 -2.045 1.00 0.00 C ATOM 552 C TYR A 35 -9.312 0.133 -1.991 1.00 0.00 C ATOM 553 O TYR A 35 -10.138 0.917 -2.410 1.00 0.00 O ATOM 554 CB TYR A 35 -7.410 1.348 -0.868 1.00 0.00 C ATOM 555 CG TYR A 35 -7.769 0.668 0.431 1.00 0.00 C ATOM 556 CD1 TYR A 35 -7.683 -0.724 0.538 1.00 0.00 C ATOM 557 CD2 TYR A 35 -8.182 1.431 1.529 1.00 0.00 C ATOM 558 CE1 TYR A 35 -8.012 -1.354 1.744 1.00 0.00 C ATOM 559 CE2 TYR A 35 -8.512 0.801 2.735 1.00 0.00 C ATOM 560 CZ TYR A 35 -8.426 -0.591 2.842 1.00 0.00 C ATOM 561 OH TYR A 35 -8.750 -1.214 4.030 1.00 0.00 O ATOM 0 H TYR A 35 -7.536 2.286 -3.110 1.00 0.00 H new ATOM 0 HA TYR A 35 -7.283 -0.494 -2.038 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -6.339 1.548 -0.901 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -7.916 2.311 -0.938 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -7.363 -1.312 -0.309 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -8.246 2.506 1.446 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -7.946 -2.429 1.827 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -8.833 1.389 3.582 1.00 0.00 H new ATOM 0 HH TYR A 35 -9.016 -0.541 4.690 1.00 0.00 H new ATOM 571 N GLY A 36 -9.668 -1.020 -1.490 1.00 0.00 N ATOM 572 CA GLY A 36 -11.112 -1.389 -1.425 1.00 0.00 C ATOM 573 C GLY A 36 -11.740 -0.829 -0.146 1.00 0.00 C ATOM 574 O GLY A 36 -12.930 -0.944 0.069 1.00 0.00 O ATOM 0 H GLY A 36 -9.023 -1.720 -1.124 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -11.635 -0.998 -2.298 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -11.220 -2.473 -1.448 1.00 0.00 H new ATOM 578 N ALA A 37 -10.955 -0.224 0.705 1.00 0.00 N ATOM 579 CA ALA A 37 -11.516 0.341 1.971 1.00 0.00 C ATOM 580 C ALA A 37 -11.920 -0.788 2.924 1.00 0.00 C ATOM 581 O ALA A 37 -12.597 -0.568 3.908 1.00 0.00 O ATOM 582 CB ALA A 37 -12.744 1.150 1.547 1.00 0.00 C ATOM 0 H ALA A 37 -9.951 -0.096 0.580 1.00 0.00 H new ATOM 0 HA ALA A 37 -10.789 0.958 2.499 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -13.208 1.595 2.427 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -12.440 1.939 0.859 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -13.460 0.493 1.053 1.00 0.00 H new ATOM 588 N CYS A 38 -11.510 -1.996 2.642 1.00 0.00 N ATOM 589 CA CYS A 38 -11.871 -3.134 3.537 1.00 0.00 C ATOM 590 C CYS A 38 -10.780 -4.208 3.497 1.00 0.00 C ATOM 591 O CYS A 38 -9.956 -4.235 2.605 1.00 0.00 O ATOM 592 CB CYS A 38 -13.182 -3.683 2.973 1.00 0.00 C ATOM 593 SG CYS A 38 -12.923 -4.223 1.265 1.00 0.00 S ATOM 0 H CYS A 38 -10.942 -2.244 1.832 1.00 0.00 H new ATOM 0 HA CYS A 38 -11.972 -2.823 4.577 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -13.531 -4.518 3.581 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -13.956 -2.916 3.010 1.00 0.00 H new ATOM 598 N ARG A 39 -10.769 -5.090 4.460 1.00 0.00 N ATOM 599 CA ARG A 39 -9.733 -6.165 4.485 1.00 0.00 C ATOM 600 C ARG A 39 -8.369 -5.604 4.076 1.00 0.00 C ATOM 601 O ARG A 39 -7.649 -6.202 3.301 1.00 0.00 O ATOM 602 CB ARG A 39 -10.214 -7.201 3.468 1.00 0.00 C ATOM 603 CG ARG A 39 -11.095 -8.235 4.172 1.00 0.00 C ATOM 604 CD ARG A 39 -12.354 -8.484 3.340 1.00 0.00 C ATOM 605 NE ARG A 39 -13.344 -9.040 4.303 1.00 0.00 N ATOM 606 CZ ARG A 39 -13.496 -10.331 4.409 1.00 0.00 C ATOM 607 NH1 ARG A 39 -12.466 -11.091 4.665 1.00 0.00 N ATOM 608 NH2 ARG A 39 -14.677 -10.864 4.257 1.00 0.00 N ATOM 0 H ARG A 39 -11.434 -5.113 5.233 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.610 -6.594 5.480 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -10.775 -6.712 2.672 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -9.360 -7.692 3.001 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -10.545 -9.166 4.306 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -11.367 -7.880 5.166 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -12.718 -7.561 2.888 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -12.158 -9.183 2.526 1.00 0.00 H new ATOM 0 HE ARG A 39 -13.903 -8.411 4.880 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -11.542 -10.675 4.782 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -12.585 -12.101 4.748 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -15.482 -10.271 4.055 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -14.795 -11.874 4.340 1.00 0.00 H new ATOM 622 N ALA A 40 -8.007 -4.463 4.591 1.00 0.00 N ATOM 623 CA ALA A 40 -6.689 -3.865 4.229 1.00 0.00 C ATOM 624 C ALA A 40 -5.544 -4.777 4.680 1.00 0.00 C ATOM 625 O ALA A 40 -5.684 -5.557 5.602 1.00 0.00 O ATOM 626 CB ALA A 40 -6.638 -2.533 4.978 1.00 0.00 C ATOM 0 H ALA A 40 -8.566 -3.917 5.247 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.581 -3.734 3.152 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.695 -2.030 4.763 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.467 -1.903 4.656 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.716 -2.715 6.050 1.00 0.00 H new ATOM 632 N LYS A 41 -4.413 -4.680 4.039 1.00 0.00 N ATOM 633 CA LYS A 41 -3.252 -5.532 4.430 1.00 0.00 C ATOM 634 C LYS A 41 -2.070 -4.641 4.819 1.00 0.00 C ATOM 635 O LYS A 41 -2.243 -3.488 5.165 1.00 0.00 O ATOM 636 CB LYS A 41 -2.927 -6.358 3.185 1.00 0.00 C ATOM 637 CG LYS A 41 -4.096 -7.295 2.876 1.00 0.00 C ATOM 638 CD LYS A 41 -3.578 -8.544 2.159 1.00 0.00 C ATOM 639 CE LYS A 41 -3.209 -9.610 3.193 1.00 0.00 C ATOM 640 NZ LYS A 41 -4.210 -10.696 3.002 1.00 0.00 N ATOM 0 H LYS A 41 -4.241 -4.046 3.259 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.468 -6.171 5.287 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -2.741 -5.699 2.337 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -2.017 -6.936 3.346 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -4.603 -7.577 3.799 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.830 -6.784 2.253 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -4.339 -8.929 1.480 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.708 -8.294 1.553 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -2.194 -9.977 3.037 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -3.251 -9.209 4.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -4.022 -11.464 3.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -5.166 -10.319 3.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -4.142 -11.064 2.031 1.00 0.00 H new ATOM 654 N ARG A 42 -0.870 -5.151 4.763 1.00 0.00 N ATOM 655 CA ARG A 42 0.301 -4.307 5.132 1.00 0.00 C ATOM 656 C ARG A 42 0.727 -3.452 3.936 1.00 0.00 C ATOM 657 O ARG A 42 1.372 -2.433 4.078 1.00 0.00 O ATOM 658 CB ARG A 42 1.400 -5.301 5.539 1.00 0.00 C ATOM 659 CG ARG A 42 2.373 -5.546 4.408 1.00 0.00 C ATOM 660 CD ARG A 42 1.709 -6.303 3.272 1.00 0.00 C ATOM 661 NE ARG A 42 1.962 -7.743 3.560 1.00 0.00 N ATOM 662 CZ ARG A 42 1.613 -8.652 2.691 1.00 0.00 C ATOM 663 NH1 ARG A 42 1.726 -8.409 1.414 1.00 0.00 N ATOM 664 NH2 ARG A 42 1.150 -9.803 3.099 1.00 0.00 N ATOM 0 H ARG A 42 -0.651 -6.106 4.481 1.00 0.00 H new ATOM 0 HA ARG A 42 0.081 -3.612 5.943 1.00 0.00 H new ATOM 0 HB2 ARG A 42 1.937 -4.916 6.406 1.00 0.00 H new ATOM 0 HB3 ARG A 42 0.945 -6.245 5.840 1.00 0.00 H new ATOM 0 HG2 ARG A 42 2.756 -4.594 4.040 1.00 0.00 H new ATOM 0 HG3 ARG A 42 3.228 -6.113 4.776 1.00 0.00 H new ATOM 0 HD2 ARG A 42 0.640 -6.092 3.230 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.129 -6.015 2.308 1.00 0.00 H new ATOM 0 HE ARG A 42 2.407 -8.018 4.435 1.00 0.00 H new ATOM 0 HH11 ARG A 42 2.087 -7.509 1.096 1.00 0.00 H new ATOM 0 HH12 ARG A 42 1.454 -9.119 0.734 1.00 0.00 H new ATOM 0 HH21 ARG A 42 1.061 -9.992 4.097 1.00 0.00 H new ATOM 0 HH22 ARG A 42 0.877 -10.513 2.419 1.00 0.00 H new ATOM 678 N ASN A 43 0.375 -3.879 2.762 1.00 0.00 N ATOM 679 CA ASN A 43 0.750 -3.115 1.542 1.00 0.00 C ATOM 680 C ASN A 43 -0.353 -2.109 1.226 1.00 0.00 C ATOM 681 O ASN A 43 -0.898 -2.077 0.140 1.00 0.00 O ATOM 682 CB ASN A 43 0.860 -4.162 0.433 1.00 0.00 C ATOM 683 CG ASN A 43 1.938 -3.736 -0.563 1.00 0.00 C ATOM 684 OD1 ASN A 43 1.642 -3.137 -1.577 1.00 0.00 O ATOM 685 ND2 ASN A 43 3.184 -4.025 -0.315 1.00 0.00 N ATOM 0 H ASN A 43 -0.160 -4.730 2.591 1.00 0.00 H new ATOM 0 HA ASN A 43 1.681 -2.559 1.658 1.00 0.00 H new ATOM 0 HB2 ASN A 43 1.107 -5.134 0.859 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -0.098 -4.271 -0.076 1.00 0.00 H new ATOM 0 HD21 ASN A 43 3.912 -3.748 -0.973 1.00 0.00 H new ATOM 0 HD22 ASN A 43 3.431 -4.528 0.537 1.00 0.00 H new ATOM 692 N ASN A 44 -0.689 -1.297 2.182 1.00 0.00 N ATOM 693 CA ASN A 44 -1.762 -0.288 1.978 1.00 0.00 C ATOM 694 C ASN A 44 -1.569 0.843 2.986 1.00 0.00 C ATOM 695 O ASN A 44 -2.256 0.926 3.985 1.00 0.00 O ATOM 696 CB ASN A 44 -3.061 -1.052 2.245 1.00 0.00 C ATOM 697 CG ASN A 44 -4.243 -0.085 2.275 1.00 0.00 C ATOM 698 OD1 ASN A 44 -4.073 1.102 2.461 1.00 0.00 O ATOM 699 ND2 ASN A 44 -5.448 -0.553 2.096 1.00 0.00 N ATOM 0 H ASN A 44 -0.262 -1.288 3.108 1.00 0.00 H new ATOM 0 HA ASN A 44 -1.761 0.159 0.984 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.216 -1.803 1.471 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -2.991 -1.583 3.195 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -6.248 0.079 2.112 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -5.590 -1.551 1.940 1.00 0.00 H new ATOM 706 N PHE A 45 -0.621 1.704 2.739 1.00 0.00 N ATOM 707 CA PHE A 45 -0.358 2.820 3.686 1.00 0.00 C ATOM 708 C PHE A 45 -1.246 4.020 3.336 1.00 0.00 C ATOM 709 O PHE A 45 -1.398 4.379 2.187 1.00 0.00 O ATOM 710 CB PHE A 45 1.131 3.136 3.502 1.00 0.00 C ATOM 711 CG PHE A 45 1.920 1.837 3.482 1.00 0.00 C ATOM 712 CD1 PHE A 45 2.223 1.175 4.682 1.00 0.00 C ATOM 713 CD2 PHE A 45 2.336 1.286 2.261 1.00 0.00 C ATOM 714 CE1 PHE A 45 2.941 -0.034 4.660 1.00 0.00 C ATOM 715 CE2 PHE A 45 3.052 0.075 2.237 1.00 0.00 C ATOM 716 CZ PHE A 45 3.356 -0.587 3.437 1.00 0.00 C ATOM 0 H PHE A 45 -0.016 1.681 1.918 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.584 2.569 4.722 1.00 0.00 H new ATOM 0 HB2 PHE A 45 1.286 3.684 2.573 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.482 3.776 4.312 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.904 1.595 5.624 1.00 0.00 H new ATOM 0 HD2 PHE A 45 2.106 1.793 1.336 1.00 0.00 H new ATOM 0 HE1 PHE A 45 3.174 -0.539 5.586 1.00 0.00 H new ATOM 0 HE2 PHE A 45 3.368 -0.346 1.294 1.00 0.00 H new ATOM 0 HZ PHE A 45 3.906 -1.516 3.420 1.00 0.00 H new ATOM 726 N LYS A 46 -1.855 4.623 4.321 1.00 0.00 N ATOM 727 CA LYS A 46 -2.759 5.781 4.053 1.00 0.00 C ATOM 728 C LYS A 46 -1.982 6.978 3.503 1.00 0.00 C ATOM 729 O LYS A 46 -2.555 7.895 2.949 1.00 0.00 O ATOM 730 CB LYS A 46 -3.374 6.119 5.411 1.00 0.00 C ATOM 731 CG LYS A 46 -3.936 4.847 6.050 1.00 0.00 C ATOM 732 CD LYS A 46 -5.281 5.158 6.710 1.00 0.00 C ATOM 733 CE LYS A 46 -6.239 3.983 6.497 1.00 0.00 C ATOM 734 NZ LYS A 46 -6.638 3.560 7.868 1.00 0.00 N ATOM 0 H LYS A 46 -1.766 4.363 5.303 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.512 5.539 3.303 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.621 6.563 6.062 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -4.166 6.858 5.289 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -4.061 4.072 5.294 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -3.236 4.460 6.791 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.142 5.339 7.776 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.705 6.068 6.285 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -7.106 4.282 5.908 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.753 3.170 5.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -7.296 2.757 7.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.793 3.275 8.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -7.104 4.353 8.354 1.00 0.00 H new ATOM 748 N SER A 47 -0.687 6.985 3.647 1.00 0.00 N ATOM 749 CA SER A 47 0.104 8.137 3.126 1.00 0.00 C ATOM 750 C SER A 47 1.439 7.656 2.564 1.00 0.00 C ATOM 751 O SER A 47 1.929 6.601 2.913 1.00 0.00 O ATOM 752 CB SER A 47 0.326 9.045 4.333 1.00 0.00 C ATOM 753 OG SER A 47 1.127 8.367 5.291 1.00 0.00 O ATOM 0 H SER A 47 -0.144 6.250 4.099 1.00 0.00 H new ATOM 0 HA SER A 47 -0.410 8.654 2.316 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.814 9.969 4.022 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.631 9.323 4.774 1.00 0.00 H new ATOM 0 HG SER A 47 0.908 8.692 6.189 1.00 0.00 H new ATOM 759 N ALA A 48 2.037 8.428 1.701 1.00 0.00 N ATOM 760 CA ALA A 48 3.349 8.020 1.125 1.00 0.00 C ATOM 761 C ALA A 48 4.392 7.978 2.240 1.00 0.00 C ATOM 762 O ALA A 48 5.341 7.220 2.196 1.00 0.00 O ATOM 763 CB ALA A 48 3.692 9.105 0.104 1.00 0.00 C ATOM 0 H ALA A 48 1.675 9.322 1.370 1.00 0.00 H new ATOM 0 HA ALA A 48 3.322 7.034 0.662 1.00 0.00 H new ATOM 0 HB1 ALA A 48 4.649 8.874 -0.365 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.915 9.146 -0.659 1.00 0.00 H new ATOM 0 HB3 ALA A 48 3.758 10.070 0.607 1.00 0.00 H new ATOM 769 N GLU A 49 4.211 8.790 3.244 1.00 0.00 N ATOM 770 CA GLU A 49 5.175 8.810 4.379 1.00 0.00 C ATOM 771 C GLU A 49 4.953 7.587 5.269 1.00 0.00 C ATOM 772 O GLU A 49 5.847 7.128 5.950 1.00 0.00 O ATOM 773 CB GLU A 49 4.859 10.098 5.140 1.00 0.00 C ATOM 774 CG GLU A 49 4.998 11.295 4.197 1.00 0.00 C ATOM 775 CD GLU A 49 3.653 12.015 4.081 1.00 0.00 C ATOM 776 OE1 GLU A 49 2.835 11.848 4.970 1.00 0.00 O ATOM 777 OE2 GLU A 49 3.465 12.724 3.105 1.00 0.00 O ATOM 0 H GLU A 49 3.433 9.444 3.327 1.00 0.00 H new ATOM 0 HA GLU A 49 6.213 8.780 4.049 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.848 10.055 5.544 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.536 10.208 5.987 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.758 11.980 4.572 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.329 10.960 3.214 1.00 0.00 H new ATOM 784 N ASP A 50 3.762 7.050 5.259 1.00 0.00 N ATOM 785 CA ASP A 50 3.478 5.853 6.097 1.00 0.00 C ATOM 786 C ASP A 50 4.036 4.605 5.411 1.00 0.00 C ATOM 787 O ASP A 50 4.448 3.662 6.053 1.00 0.00 O ATOM 788 CB ASP A 50 1.953 5.785 6.191 1.00 0.00 C ATOM 789 CG ASP A 50 1.551 4.691 7.181 1.00 0.00 C ATOM 790 OD1 ASP A 50 2.330 4.418 8.080 1.00 0.00 O ATOM 791 OD2 ASP A 50 0.472 4.145 7.024 1.00 0.00 O ATOM 0 H ASP A 50 2.975 7.390 4.706 1.00 0.00 H new ATOM 0 HA ASP A 50 3.937 5.911 7.084 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.555 6.747 6.514 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.527 5.577 5.210 1.00 0.00 H new ATOM 796 N CYS A 51 4.071 4.607 4.108 1.00 0.00 N ATOM 797 CA CYS A 51 4.621 3.433 3.372 1.00 0.00 C ATOM 798 C CYS A 51 6.148 3.488 3.406 1.00 0.00 C ATOM 799 O CYS A 51 6.815 2.499 3.638 1.00 0.00 O ATOM 800 CB CYS A 51 4.114 3.582 1.936 1.00 0.00 C ATOM 801 SG CYS A 51 4.833 2.276 0.908 1.00 0.00 S ATOM 0 H CYS A 51 3.742 5.372 3.519 1.00 0.00 H new ATOM 0 HA CYS A 51 4.313 2.483 3.808 1.00 0.00 H new ATOM 0 HB2 CYS A 51 3.026 3.520 1.914 1.00 0.00 H new ATOM 0 HB3 CYS A 51 4.386 4.561 1.542 1.00 0.00 H new ATOM 806 N MET A 52 6.704 4.648 3.179 1.00 0.00 N ATOM 807 CA MET A 52 8.189 4.783 3.199 1.00 0.00 C ATOM 808 C MET A 52 8.726 4.540 4.613 1.00 0.00 C ATOM 809 O MET A 52 9.649 3.775 4.810 1.00 0.00 O ATOM 810 CB MET A 52 8.464 6.221 2.759 1.00 0.00 C ATOM 811 CG MET A 52 8.022 6.404 1.305 1.00 0.00 C ATOM 812 SD MET A 52 8.872 5.194 0.259 1.00 0.00 S ATOM 813 CE MET A 52 10.348 6.183 -0.081 1.00 0.00 C ATOM 0 H MET A 52 6.193 5.508 2.980 1.00 0.00 H new ATOM 0 HA MET A 52 8.677 4.058 2.547 1.00 0.00 H new ATOM 0 HB2 MET A 52 7.929 6.918 3.403 1.00 0.00 H new ATOM 0 HB3 MET A 52 9.526 6.446 2.858 1.00 0.00 H new ATOM 0 HG2 MET A 52 6.943 6.277 1.223 1.00 0.00 H new ATOM 0 HG3 MET A 52 8.250 7.415 0.969 1.00 0.00 H new ATOM 0 HE1 MET A 52 11.024 5.619 -0.723 1.00 0.00 H new ATOM 0 HE2 MET A 52 10.059 7.107 -0.582 1.00 0.00 H new ATOM 0 HE3 MET A 52 10.851 6.420 0.856 1.00 0.00 H new ATOM 823 N ARG A 53 8.158 5.182 5.598 1.00 0.00 N ATOM 824 CA ARG A 53 8.644 4.975 6.993 1.00 0.00 C ATOM 825 C ARG A 53 8.446 3.512 7.401 1.00 0.00 C ATOM 826 O ARG A 53 8.997 3.051 8.380 1.00 0.00 O ATOM 827 CB ARG A 53 7.796 5.914 7.862 1.00 0.00 C ATOM 828 CG ARG A 53 6.437 5.274 8.159 1.00 0.00 C ATOM 829 CD ARG A 53 6.412 4.785 9.609 1.00 0.00 C ATOM 830 NE ARG A 53 5.229 5.453 10.221 1.00 0.00 N ATOM 831 CZ ARG A 53 5.147 5.579 11.517 1.00 0.00 C ATOM 832 NH1 ARG A 53 5.972 4.924 12.290 1.00 0.00 N ATOM 833 NH2 ARG A 53 4.243 6.360 12.042 1.00 0.00 N ATOM 0 H ARG A 53 7.383 5.837 5.499 1.00 0.00 H new ATOM 0 HA ARG A 53 9.707 5.191 7.101 1.00 0.00 H new ATOM 0 HB2 ARG A 53 8.317 6.128 8.795 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.654 6.866 7.350 1.00 0.00 H new ATOM 0 HG2 ARG A 53 5.638 5.997 7.994 1.00 0.00 H new ATOM 0 HG3 ARG A 53 6.259 4.441 7.479 1.00 0.00 H new ATOM 0 HD2 ARG A 53 6.322 3.700 9.658 1.00 0.00 H new ATOM 0 HD3 ARG A 53 7.330 5.052 10.132 1.00 0.00 H new ATOM 0 HE ARG A 53 4.482 5.812 9.626 1.00 0.00 H new ATOM 0 HH11 ARG A 53 6.680 4.314 11.880 1.00 0.00 H new ATOM 0 HH12 ARG A 53 5.908 5.022 13.303 1.00 0.00 H new ATOM 0 HH21 ARG A 53 3.600 6.873 11.439 1.00 0.00 H new ATOM 0 HH22 ARG A 53 4.180 6.458 13.055 1.00 0.00 H new ATOM 847 N THR A 54 7.663 2.782 6.655 1.00 0.00 N ATOM 848 CA THR A 54 7.430 1.351 6.995 1.00 0.00 C ATOM 849 C THR A 54 8.439 0.463 6.261 1.00 0.00 C ATOM 850 O THR A 54 9.126 -0.341 6.861 1.00 0.00 O ATOM 851 CB THR A 54 6.006 1.053 6.516 1.00 0.00 C ATOM 852 OG1 THR A 54 5.081 1.802 7.292 1.00 0.00 O ATOM 853 CG2 THR A 54 5.715 -0.436 6.674 1.00 0.00 C ATOM 0 H THR A 54 7.174 3.116 5.824 1.00 0.00 H new ATOM 0 HA THR A 54 7.549 1.156 8.061 1.00 0.00 H new ATOM 0 HB THR A 54 5.910 1.331 5.466 1.00 0.00 H new ATOM 0 HG1 THR A 54 5.078 2.734 6.988 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.701 -0.647 6.333 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.425 -1.011 6.079 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.810 -0.716 7.723 1.00 0.00 H new ATOM 861 N CYS A 55 8.527 0.598 4.966 1.00 0.00 N ATOM 862 CA CYS A 55 9.485 -0.243 4.189 1.00 0.00 C ATOM 863 C CYS A 55 10.630 0.611 3.637 1.00 0.00 C ATOM 864 O CYS A 55 11.300 0.230 2.697 1.00 0.00 O ATOM 865 CB CYS A 55 8.657 -0.812 3.043 1.00 0.00 C ATOM 866 SG CYS A 55 7.204 -1.652 3.715 1.00 0.00 S ATOM 0 H CYS A 55 7.977 1.254 4.411 1.00 0.00 H new ATOM 0 HA CYS A 55 9.939 -1.020 4.804 1.00 0.00 H new ATOM 0 HB2 CYS A 55 8.350 -0.012 2.369 1.00 0.00 H new ATOM 0 HB3 CYS A 55 9.256 -1.509 2.458 1.00 0.00 H new ATOM 871 N GLY A 56 10.861 1.760 4.206 1.00 0.00 N ATOM 872 CA GLY A 56 11.963 2.627 3.702 1.00 0.00 C ATOM 873 C GLY A 56 13.309 1.945 3.960 1.00 0.00 C ATOM 874 O GLY A 56 13.370 0.839 4.459 1.00 0.00 O ATOM 0 H GLY A 56 10.337 2.136 4.996 1.00 0.00 H new ATOM 0 HA2 GLY A 56 11.836 2.812 2.635 1.00 0.00 H new ATOM 0 HA3 GLY A 56 11.933 3.597 4.199 1.00 0.00 H new ATOM 878 N GLY A 57 14.387 2.595 3.622 1.00 0.00 N ATOM 879 CA GLY A 57 15.728 1.984 3.847 1.00 0.00 C ATOM 880 C GLY A 57 16.433 1.793 2.504 1.00 0.00 C ATOM 881 O GLY A 57 16.564 2.715 1.724 1.00 0.00 O ATOM 0 H GLY A 57 14.398 3.523 3.199 1.00 0.00 H new ATOM 0 HA2 GLY A 57 16.326 2.623 4.496 1.00 0.00 H new ATOM 0 HA3 GLY A 57 15.622 1.025 4.354 1.00 0.00 H new ATOM 885 N ALA A 58 16.889 0.604 2.224 1.00 0.00 N ATOM 886 CA ALA A 58 17.584 0.360 0.929 1.00 0.00 C ATOM 887 C ALA A 58 18.807 1.274 0.806 1.00 0.00 C ATOM 888 O ALA A 58 19.592 1.061 -0.104 1.00 0.00 O ATOM 889 CB ALA A 58 16.551 0.700 -0.145 1.00 0.00 C ATOM 890 OXT ALA A 58 18.936 2.169 1.625 1.00 0.00 O ATOM 0 H ALA A 58 16.811 -0.209 2.835 1.00 0.00 H new ATOM 0 HA ALA A 58 17.943 -0.665 0.839 1.00 0.00 H new ATOM 0 HB1 ALA A 58 16.988 0.545 -1.132 1.00 0.00 H new ATOM 0 HB2 ALA A 58 15.680 0.056 -0.029 1.00 0.00 H new ATOM 0 HB3 ALA A 58 16.248 1.742 -0.042 1.00 0.00 H new TER 896 ALA A 58