USER MOD reduce.3.24.130724 H: found=0, std=0, add=371, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 372 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 36 MET CE :methyl -139:sc= -12.6! (180deg=-12.4!) USER MOD Set 1.2: A 51 ASN : amide:sc= -5.26! C(o=-18!,f=-22!) USER MOD Single : A 2 HIS : no HD1:sc= -2.19 K(o=-2.2,f=-0.66) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot -130:sc= -0.71 USER MOD Single : A 9 ASN : amide:sc= -0.187 X(o=-0.19,f=-0.1) USER MOD Single : A 15 ASN : amide:sc= -5.75! C(o=-5.7!,f=-6.8!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -5.6! C(o=-5.6!,f=-9.3!) USER MOD Single : A 35 ASN : amide:sc= -4.19 K(o=-4.2,f=-2.6) USER MOD Single : A 43 HIS : no HE2:sc= -12.9! C(o=-13!,f=-16!) USER MOD Single : A 49 TYR OH : rot -150:sc= -6.29! USER MOD Single : A 50 SER OG : rot 50:sc= -0.197 USER MOD ----------------------------------------------------------------- ATOM 13 N HIS A 2 9.001 -1.846 -3.670 1.00 0.00 N ATOM 14 CA HIS A 2 7.818 -2.337 -4.359 1.00 0.00 C ATOM 15 C HIS A 2 7.769 -3.855 -4.260 1.00 0.00 C ATOM 16 O HIS A 2 8.375 -4.556 -5.072 1.00 0.00 O ATOM 17 CB HIS A 2 7.836 -1.907 -5.833 1.00 0.00 C ATOM 18 CG HIS A 2 9.115 -1.263 -6.287 1.00 0.00 C ATOM 19 ND1 HIS A 2 10.330 -1.917 -6.291 1.00 0.00 N ATOM 20 CD2 HIS A 2 9.365 -0.014 -6.754 1.00 0.00 C ATOM 21 CE1 HIS A 2 11.267 -1.100 -6.735 1.00 0.00 C ATOM 22 NE2 HIS A 2 10.709 0.059 -7.022 1.00 0.00 N ATOM 0 HA HIS A 2 6.931 -1.912 -3.888 1.00 0.00 H new ATOM 0 HB2 HIS A 2 7.646 -2.782 -6.454 1.00 0.00 H new ATOM 0 HB3 HIS A 2 7.015 -1.211 -6.004 1.00 0.00 H new ATOM 0 HD2 HIS A 2 8.641 0.776 -6.890 1.00 0.00 H new ATOM 0 HE1 HIS A 2 12.314 -1.341 -6.845 1.00 0.00 H new ATOM 0 HE2 HIS A 2 11.197 0.878 -7.385 1.00 0.00 H new ATOM 31 N MET A 3 7.081 -4.365 -3.244 1.00 0.00 N ATOM 32 CA MET A 3 7.015 -5.819 -3.044 1.00 0.00 C ATOM 33 C MET A 3 5.601 -6.334 -2.695 1.00 0.00 C ATOM 34 O MET A 3 4.616 -5.919 -3.302 1.00 0.00 O ATOM 35 CB MET A 3 8.022 -6.226 -1.964 1.00 0.00 C ATOM 36 CG MET A 3 9.379 -5.555 -2.111 1.00 0.00 C ATOM 37 SD MET A 3 10.719 -6.538 -1.411 1.00 0.00 S ATOM 38 CE MET A 3 11.748 -6.786 -2.856 1.00 0.00 C ATOM 0 H MET A 3 6.569 -3.812 -2.556 1.00 0.00 H new ATOM 0 HA MET A 3 7.270 -6.286 -3.995 1.00 0.00 H new ATOM 0 HB2 MET A 3 7.610 -5.982 -0.985 1.00 0.00 H new ATOM 0 HB3 MET A 3 8.156 -7.307 -1.993 1.00 0.00 H new ATOM 0 HG2 MET A 3 9.579 -5.375 -3.167 1.00 0.00 H new ATOM 0 HG3 MET A 3 9.354 -4.581 -1.621 1.00 0.00 H new ATOM 0 HE1 MET A 3 12.621 -7.379 -2.584 1.00 0.00 H new ATOM 0 HE2 MET A 3 11.178 -7.310 -3.623 1.00 0.00 H new ATOM 0 HE3 MET A 3 12.072 -5.820 -3.242 1.00 0.00 H new ATOM 48 N ASP A 4 5.536 -7.268 -1.726 1.00 0.00 N ATOM 49 CA ASP A 4 4.288 -7.907 -1.266 1.00 0.00 C ATOM 50 C ASP A 4 3.042 -7.025 -1.397 1.00 0.00 C ATOM 51 O ASP A 4 2.586 -6.434 -0.418 1.00 0.00 O ATOM 52 CB ASP A 4 4.447 -8.342 0.197 1.00 0.00 C ATOM 53 CG ASP A 4 4.240 -9.833 0.383 1.00 0.00 C ATOM 54 OD1 ASP A 4 3.173 -10.339 -0.023 1.00 0.00 O ATOM 55 OD2 ASP A 4 5.145 -10.493 0.935 1.00 0.00 O ATOM 0 H ASP A 4 6.363 -7.605 -1.233 1.00 0.00 H new ATOM 0 HA ASP A 4 4.127 -8.763 -1.922 1.00 0.00 H new ATOM 0 HB2 ASP A 4 5.442 -8.070 0.548 1.00 0.00 H new ATOM 0 HB3 ASP A 4 3.732 -7.799 0.814 1.00 0.00 H new ATOM 60 N CYS A 5 2.479 -6.954 -2.599 1.00 0.00 N ATOM 61 CA CYS A 5 1.275 -6.162 -2.829 1.00 0.00 C ATOM 62 C CYS A 5 0.575 -6.587 -4.122 1.00 0.00 C ATOM 63 O CYS A 5 0.845 -7.665 -4.648 1.00 0.00 O ATOM 64 CB CYS A 5 1.626 -4.679 -2.867 1.00 0.00 C ATOM 65 SG CYS A 5 2.536 -4.161 -4.357 1.00 0.00 S ATOM 0 H CYS A 5 2.835 -7.433 -3.426 1.00 0.00 H new ATOM 0 HA CYS A 5 0.583 -6.338 -2.005 1.00 0.00 H new ATOM 0 HB2 CYS A 5 0.706 -4.098 -2.797 1.00 0.00 H new ATOM 0 HB3 CYS A 5 2.224 -4.437 -1.988 1.00 0.00 H new ATOM 70 N THR A 6 -0.323 -5.727 -4.631 1.00 0.00 N ATOM 71 CA THR A 6 -1.058 -5.996 -5.864 1.00 0.00 C ATOM 72 C THR A 6 -0.222 -6.829 -6.841 1.00 0.00 C ATOM 73 O THR A 6 -0.736 -7.748 -7.478 1.00 0.00 O ATOM 74 CB THR A 6 -1.458 -4.678 -6.524 1.00 0.00 C ATOM 75 OG1 THR A 6 -2.353 -4.906 -7.599 1.00 0.00 O ATOM 76 CG2 THR A 6 -0.280 -3.897 -7.065 1.00 0.00 C ATOM 0 H THR A 6 -0.554 -4.833 -4.198 1.00 0.00 H new ATOM 0 HA THR A 6 -1.951 -6.567 -5.608 1.00 0.00 H new ATOM 0 HB THR A 6 -1.930 -4.092 -5.735 1.00 0.00 H new ATOM 0 HG1 THR A 6 -2.037 -4.429 -8.395 1.00 0.00 H new ATOM 0 HG21 THR A 6 -0.635 -2.972 -7.520 1.00 0.00 H new ATOM 0 HG22 THR A 6 0.405 -3.661 -6.251 1.00 0.00 H new ATOM 0 HG23 THR A 6 0.239 -4.494 -7.814 1.00 0.00 H new ATOM 84 N GLU A 7 1.075 -6.506 -6.954 1.00 0.00 N ATOM 85 CA GLU A 7 1.964 -7.232 -7.844 1.00 0.00 C ATOM 86 C GLU A 7 2.534 -8.455 -7.137 1.00 0.00 C ATOM 87 O GLU A 7 3.745 -8.678 -7.132 1.00 0.00 O ATOM 88 CB GLU A 7 3.092 -6.309 -8.307 1.00 0.00 C ATOM 89 CG GLU A 7 4.089 -5.956 -7.212 1.00 0.00 C ATOM 90 CD GLU A 7 5.528 -6.168 -7.643 1.00 0.00 C ATOM 91 OE1 GLU A 7 6.120 -5.228 -8.215 1.00 0.00 O ATOM 92 OE2 GLU A 7 6.061 -7.273 -7.411 1.00 0.00 O ATOM 0 H GLU A 7 1.521 -5.748 -6.438 1.00 0.00 H new ATOM 0 HA GLU A 7 1.402 -7.570 -8.715 1.00 0.00 H new ATOM 0 HB2 GLU A 7 3.625 -6.787 -9.129 1.00 0.00 H new ATOM 0 HB3 GLU A 7 2.658 -5.390 -8.700 1.00 0.00 H new ATOM 0 HG2 GLU A 7 3.950 -4.915 -6.921 1.00 0.00 H new ATOM 0 HG3 GLU A 7 3.885 -6.563 -6.330 1.00 0.00 H new ATOM 99 N PHE A 8 1.652 -9.233 -6.525 1.00 0.00 N ATOM 100 CA PHE A 8 2.061 -10.419 -5.795 1.00 0.00 C ATOM 101 C PHE A 8 0.878 -11.375 -5.615 1.00 0.00 C ATOM 102 O PHE A 8 -0.029 -11.404 -6.447 1.00 0.00 O ATOM 103 CB PHE A 8 2.642 -9.997 -4.445 1.00 0.00 C ATOM 104 CG PHE A 8 3.947 -10.662 -4.116 1.00 0.00 C ATOM 105 CD1 PHE A 8 4.949 -10.756 -5.070 1.00 0.00 C ATOM 106 CD2 PHE A 8 4.176 -11.191 -2.857 1.00 0.00 C ATOM 107 CE1 PHE A 8 6.153 -11.364 -4.774 1.00 0.00 C ATOM 108 CE2 PHE A 8 5.378 -11.801 -2.554 1.00 0.00 C ATOM 109 CZ PHE A 8 6.368 -11.889 -3.513 1.00 0.00 C ATOM 0 H PHE A 8 0.647 -9.061 -6.521 1.00 0.00 H new ATOM 0 HA PHE A 8 2.826 -10.951 -6.360 1.00 0.00 H new ATOM 0 HB2 PHE A 8 2.784 -8.916 -4.442 1.00 0.00 H new ATOM 0 HB3 PHE A 8 1.920 -10.226 -3.661 1.00 0.00 H new ATOM 0 HD1 PHE A 8 4.786 -10.349 -6.057 1.00 0.00 H new ATOM 0 HD2 PHE A 8 3.406 -11.126 -2.103 1.00 0.00 H new ATOM 0 HE1 PHE A 8 6.925 -11.429 -5.526 1.00 0.00 H new ATOM 0 HE2 PHE A 8 5.543 -12.209 -1.568 1.00 0.00 H new ATOM 0 HZ PHE A 8 7.308 -12.367 -3.279 1.00 0.00 H new ATOM 119 N ASN A 9 0.889 -12.163 -4.541 1.00 0.00 N ATOM 120 CA ASN A 9 -0.188 -13.114 -4.290 1.00 0.00 C ATOM 121 C ASN A 9 -1.420 -12.426 -3.697 1.00 0.00 C ATOM 122 O ASN A 9 -2.519 -12.550 -4.236 1.00 0.00 O ATOM 123 CB ASN A 9 0.280 -14.238 -3.360 1.00 0.00 C ATOM 124 CG ASN A 9 1.767 -14.525 -3.480 1.00 0.00 C ATOM 125 OD1 ASN A 9 2.497 -14.504 -2.490 1.00 0.00 O ATOM 126 ND2 ASN A 9 2.221 -14.794 -4.698 1.00 0.00 N ATOM 0 H ASN A 9 1.627 -12.161 -3.837 1.00 0.00 H new ATOM 0 HA ASN A 9 -0.467 -13.544 -5.252 1.00 0.00 H new ATOM 0 HB2 ASN A 9 0.049 -13.969 -2.329 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -0.279 -15.146 -3.586 1.00 0.00 H new ATOM 0 HD21 ASN A 9 3.211 -14.994 -4.841 1.00 0.00 H new ATOM 0 HD22 ASN A 9 1.580 -14.801 -5.491 1.00 0.00 H new ATOM 133 N PRO A 10 -1.264 -11.698 -2.573 1.00 0.00 N ATOM 134 CA PRO A 10 -2.373 -11.011 -1.922 1.00 0.00 C ATOM 135 C PRO A 10 -2.560 -9.586 -2.428 1.00 0.00 C ATOM 136 O PRO A 10 -2.339 -8.619 -1.697 1.00 0.00 O ATOM 137 CB PRO A 10 -1.931 -11.008 -0.467 1.00 0.00 C ATOM 138 CG PRO A 10 -0.454 -10.832 -0.544 1.00 0.00 C ATOM 139 CD PRO A 10 -0.003 -11.486 -1.834 1.00 0.00 C ATOM 0 HA PRO A 10 -3.333 -11.493 -2.106 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -2.401 -10.199 0.092 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -2.197 -11.939 0.034 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -0.189 -9.775 -0.533 1.00 0.00 H new ATOM 0 HG3 PRO A 10 0.036 -11.292 0.315 1.00 0.00 H new ATOM 0 HD2 PRO A 10 0.685 -10.847 -2.389 1.00 0.00 H new ATOM 0 HD3 PRO A 10 0.516 -12.426 -1.647 1.00 0.00 H new ATOM 147 N LEU A 11 -2.973 -9.467 -3.678 1.00 0.00 N ATOM 148 CA LEU A 11 -3.201 -8.164 -4.291 1.00 0.00 C ATOM 149 C LEU A 11 -4.506 -7.576 -3.805 1.00 0.00 C ATOM 150 O LEU A 11 -5.240 -8.241 -3.085 1.00 0.00 O ATOM 151 CB LEU A 11 -3.232 -8.301 -5.815 1.00 0.00 C ATOM 152 CG LEU A 11 -4.305 -9.243 -6.357 1.00 0.00 C ATOM 153 CD1 LEU A 11 -5.659 -8.551 -6.368 1.00 0.00 C ATOM 154 CD2 LEU A 11 -3.932 -9.718 -7.752 1.00 0.00 C ATOM 0 H LEU A 11 -3.159 -10.259 -4.293 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.386 -7.498 -4.007 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.383 -7.313 -6.250 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.257 -8.652 -6.153 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.371 -10.113 -5.704 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -6.414 -9.235 -6.757 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.925 -8.256 -5.353 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.610 -7.666 -7.002 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.705 -10.389 -8.127 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.843 -8.859 -8.417 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.980 -10.247 -7.714 1.00 0.00 H new ATOM 166 N CYS A 12 -4.787 -6.325 -4.213 1.00 0.00 N ATOM 167 CA CYS A 12 -6.013 -5.618 -3.830 1.00 0.00 C ATOM 168 C CYS A 12 -7.084 -6.573 -3.315 1.00 0.00 C ATOM 169 O CYS A 12 -8.165 -6.698 -3.890 1.00 0.00 O ATOM 170 CB CYS A 12 -6.544 -4.881 -5.053 1.00 0.00 C ATOM 171 SG CYS A 12 -7.360 -3.286 -4.700 1.00 0.00 S ATOM 0 H CYS A 12 -4.170 -5.781 -4.816 1.00 0.00 H new ATOM 0 HA CYS A 12 -5.774 -4.924 -3.024 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -5.716 -4.704 -5.740 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -7.253 -5.528 -5.569 1.00 0.00 H new ATOM 176 N ARG A 13 -6.757 -7.237 -2.220 1.00 0.00 N ATOM 177 CA ARG A 13 -7.667 -8.185 -1.594 1.00 0.00 C ATOM 178 C ARG A 13 -8.297 -7.547 -0.367 1.00 0.00 C ATOM 179 O ARG A 13 -8.748 -8.232 0.551 1.00 0.00 O ATOM 180 CB ARG A 13 -6.921 -9.473 -1.215 1.00 0.00 C ATOM 181 CG ARG A 13 -5.927 -9.299 -0.076 1.00 0.00 C ATOM 182 CD ARG A 13 -6.164 -10.316 1.031 1.00 0.00 C ATOM 183 NE ARG A 13 -5.269 -11.466 0.919 1.00 0.00 N ATOM 184 CZ ARG A 13 -5.535 -12.667 1.431 1.00 0.00 C ATOM 185 NH1 ARG A 13 -6.663 -12.878 2.098 1.00 0.00 N ATOM 186 NH2 ARG A 13 -4.667 -13.658 1.278 1.00 0.00 N ATOM 0 H ARG A 13 -5.862 -7.137 -1.742 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.455 -8.448 -2.300 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.650 -10.234 -0.935 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -6.392 -9.846 -2.092 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -4.912 -9.406 -0.458 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -6.010 -8.291 0.330 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -6.020 -9.838 2.000 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -7.199 -10.657 0.995 1.00 0.00 H new ATOM 0 HE ARG A 13 -4.389 -11.342 0.419 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -7.332 -12.118 2.221 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -6.860 -13.800 2.487 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -3.797 -13.500 0.769 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -4.869 -14.578 1.669 1.00 0.00 H new ATOM 200 N CYS A 14 -8.302 -6.219 -0.363 1.00 0.00 N ATOM 201 CA CYS A 14 -8.848 -5.453 0.739 1.00 0.00 C ATOM 202 C CYS A 14 -8.932 -3.978 0.362 1.00 0.00 C ATOM 203 O CYS A 14 -7.912 -3.301 0.246 1.00 0.00 O ATOM 204 CB CYS A 14 -7.972 -5.634 1.980 1.00 0.00 C ATOM 205 SG CYS A 14 -6.237 -6.078 1.634 1.00 0.00 S ATOM 0 H CYS A 14 -7.928 -5.650 -1.122 1.00 0.00 H new ATOM 0 HA CYS A 14 -9.853 -5.813 0.960 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -7.988 -4.709 2.556 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -8.412 -6.408 2.608 1.00 0.00 H new ATOM 210 N ASN A 15 -10.147 -3.486 0.153 1.00 0.00 N ATOM 211 CA ASN A 15 -10.341 -2.094 -0.229 1.00 0.00 C ATOM 212 C ASN A 15 -10.097 -1.155 0.949 1.00 0.00 C ATOM 213 O ASN A 15 -8.956 -0.799 1.241 1.00 0.00 O ATOM 214 CB ASN A 15 -11.734 -1.924 -0.888 1.00 0.00 C ATOM 215 CG ASN A 15 -12.697 -0.978 -0.201 1.00 0.00 C ATOM 216 OD1 ASN A 15 -12.535 0.242 -0.254 1.00 0.00 O ATOM 217 ND2 ASN A 15 -13.711 -1.542 0.443 1.00 0.00 N ATOM 0 H ASN A 15 -11.007 -4.027 0.241 1.00 0.00 H new ATOM 0 HA ASN A 15 -9.599 -1.811 -0.976 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -11.587 -1.578 -1.911 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -12.205 -2.905 -0.948 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -14.398 -0.960 0.922 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -13.803 -2.558 0.459 1.00 0.00 H new ATOM 224 N LYS A 16 -11.154 -0.771 1.626 1.00 0.00 N ATOM 225 CA LYS A 16 -11.044 0.108 2.779 1.00 0.00 C ATOM 226 C LYS A 16 -11.006 -0.713 4.055 1.00 0.00 C ATOM 227 O LYS A 16 -11.214 -0.193 5.152 1.00 0.00 O ATOM 228 CB LYS A 16 -12.208 1.097 2.825 1.00 0.00 C ATOM 229 CG LYS A 16 -11.980 2.251 3.788 1.00 0.00 C ATOM 230 CD LYS A 16 -13.287 2.743 4.388 1.00 0.00 C ATOM 231 CE LYS A 16 -13.054 3.854 5.399 1.00 0.00 C ATOM 232 NZ LYS A 16 -13.125 5.202 4.770 1.00 0.00 N ATOM 0 H LYS A 16 -12.108 -1.053 1.400 1.00 0.00 H new ATOM 0 HA LYS A 16 -10.118 0.676 2.690 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -12.376 1.496 1.825 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -13.115 0.566 3.113 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -11.309 1.933 4.586 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -11.487 3.071 3.265 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -13.940 3.104 3.593 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -13.802 1.913 4.871 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -13.798 3.784 6.193 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -12.077 3.722 5.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -12.961 5.931 5.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -12.399 5.278 4.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -14.065 5.339 4.348 1.00 0.00 H new ATOM 246 N MET A 17 -10.731 -2.004 3.905 1.00 0.00 N ATOM 247 CA MET A 17 -10.657 -2.903 5.049 1.00 0.00 C ATOM 248 C MET A 17 -9.715 -2.339 6.107 1.00 0.00 C ATOM 249 O MET A 17 -9.100 -1.292 5.907 1.00 0.00 O ATOM 250 CB MET A 17 -10.188 -4.285 4.597 1.00 0.00 C ATOM 251 CG MET A 17 -10.665 -5.416 5.495 1.00 0.00 C ATOM 252 SD MET A 17 -11.555 -6.698 4.591 1.00 0.00 S ATOM 253 CE MET A 17 -13.195 -6.530 5.293 1.00 0.00 C ATOM 0 H MET A 17 -10.556 -2.450 3.004 1.00 0.00 H new ATOM 0 HA MET A 17 -11.650 -2.997 5.489 1.00 0.00 H new ATOM 0 HB2 MET A 17 -10.542 -4.465 3.582 1.00 0.00 H new ATOM 0 HB3 MET A 17 -9.099 -4.296 4.562 1.00 0.00 H new ATOM 0 HG2 MET A 17 -9.806 -5.862 5.998 1.00 0.00 H new ATOM 0 HG3 MET A 17 -11.313 -5.009 6.271 1.00 0.00 H new ATOM 0 HE1 MET A 17 -13.864 -7.258 4.834 1.00 0.00 H new ATOM 0 HE2 MET A 17 -13.150 -6.706 6.368 1.00 0.00 H new ATOM 0 HE3 MET A 17 -13.570 -5.524 5.105 1.00 0.00 H new ATOM 263 N LEU A 18 -9.611 -3.030 7.232 1.00 0.00 N ATOM 264 CA LEU A 18 -8.744 -2.580 8.315 1.00 0.00 C ATOM 265 C LEU A 18 -7.275 -2.704 7.916 1.00 0.00 C ATOM 266 O LEU A 18 -6.547 -3.566 8.409 1.00 0.00 O ATOM 267 CB LEU A 18 -9.034 -3.370 9.602 1.00 0.00 C ATOM 268 CG LEU A 18 -8.518 -4.815 9.649 1.00 0.00 C ATOM 269 CD1 LEU A 18 -9.222 -5.589 10.751 1.00 0.00 C ATOM 270 CD2 LEU A 18 -8.706 -5.515 8.309 1.00 0.00 C ATOM 0 H LEU A 18 -10.111 -3.899 7.420 1.00 0.00 H new ATOM 0 HA LEU A 18 -8.952 -1.528 8.509 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -8.601 -2.826 10.441 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -10.113 -3.388 9.756 1.00 0.00 H new ATOM 0 HG LEU A 18 -7.450 -4.783 9.863 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.847 -6.612 10.774 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -9.030 -5.111 11.711 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -10.295 -5.600 10.559 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -8.330 -6.536 8.376 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.766 -5.534 8.054 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -8.157 -4.976 7.537 1.00 0.00 H new ATOM 282 N GLY A 19 -6.850 -1.831 7.008 1.00 0.00 N ATOM 283 CA GLY A 19 -5.477 -1.849 6.541 1.00 0.00 C ATOM 284 C GLY A 19 -4.480 -1.513 7.632 1.00 0.00 C ATOM 285 O GLY A 19 -4.814 -0.832 8.601 1.00 0.00 O ATOM 0 H GLY A 19 -7.435 -1.109 6.586 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -5.248 -2.835 6.138 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -5.367 -1.137 5.723 1.00 0.00 H new ATOM 289 N ASP A 20 -3.253 -1.996 7.472 1.00 0.00 N ATOM 290 CA ASP A 20 -2.198 -1.754 8.442 1.00 0.00 C ATOM 291 C ASP A 20 -1.556 -0.391 8.232 1.00 0.00 C ATOM 292 O ASP A 20 -1.934 0.362 7.336 1.00 0.00 O ATOM 293 CB ASP A 20 -1.133 -2.840 8.329 1.00 0.00 C ATOM 294 CG ASP A 20 -1.725 -4.235 8.293 1.00 0.00 C ATOM 295 OD1 ASP A 20 -2.448 -4.600 9.243 1.00 0.00 O ATOM 296 OD2 ASP A 20 -1.464 -4.965 7.312 1.00 0.00 O ATOM 0 H ASP A 20 -2.966 -2.561 6.673 1.00 0.00 H new ATOM 0 HA ASP A 20 -2.644 -1.774 9.436 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.546 -2.675 7.426 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.448 -2.762 9.173 1.00 0.00 H new ATOM 301 N LEU A 21 -0.572 -0.095 9.066 1.00 0.00 N ATOM 302 CA LEU A 21 0.150 1.170 8.985 1.00 0.00 C ATOM 303 C LEU A 21 1.375 1.032 8.082 1.00 0.00 C ATOM 304 O LEU A 21 2.496 0.827 8.542 1.00 0.00 O ATOM 305 CB LEU A 21 0.540 1.664 10.390 1.00 0.00 C ATOM 306 CG LEU A 21 1.755 0.990 11.043 1.00 0.00 C ATOM 307 CD1 LEU A 21 1.831 1.356 12.516 1.00 0.00 C ATOM 308 CD2 LEU A 21 1.697 -0.521 10.874 1.00 0.00 C ATOM 0 H LEU A 21 -0.252 -0.715 9.810 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.508 1.918 8.542 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.734 2.735 10.333 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.318 1.531 11.048 1.00 0.00 H new ATOM 0 HG LEU A 21 2.654 1.351 10.544 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.697 0.872 12.967 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.926 2.437 12.618 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.925 1.022 13.021 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.569 -0.974 11.346 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.791 -0.905 11.343 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.689 -0.768 9.812 1.00 0.00 H new ATOM 320 N ILE A 22 1.138 1.135 6.782 1.00 0.00 N ATOM 321 CA ILE A 22 2.202 1.015 5.789 1.00 0.00 C ATOM 322 C ILE A 22 2.927 2.341 5.597 1.00 0.00 C ATOM 323 O ILE A 22 2.337 3.412 5.741 1.00 0.00 O ATOM 324 CB ILE A 22 1.642 0.529 4.426 1.00 0.00 C ATOM 325 CG1 ILE A 22 2.590 0.853 3.272 1.00 0.00 C ATOM 326 CG2 ILE A 22 0.287 1.147 4.155 1.00 0.00 C ATOM 327 CD1 ILE A 22 2.314 2.190 2.604 1.00 0.00 C ATOM 0 H ILE A 22 0.213 1.302 6.386 1.00 0.00 H new ATOM 0 HA ILE A 22 2.911 0.277 6.164 1.00 0.00 H new ATOM 0 HB ILE A 22 1.542 -0.554 4.491 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.614 0.849 3.644 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.519 0.063 2.524 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -0.089 0.794 3.195 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.408 0.860 4.944 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.381 2.233 4.131 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.028 2.347 1.796 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.302 2.193 2.200 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.414 2.990 3.337 1.00 0.00 H new ATOM 339 N CYS A 23 4.206 2.259 5.249 1.00 0.00 N ATOM 340 CA CYS A 23 5.011 3.451 5.009 1.00 0.00 C ATOM 341 C CYS A 23 5.307 3.571 3.522 1.00 0.00 C ATOM 342 O CYS A 23 6.338 3.100 3.046 1.00 0.00 O ATOM 343 CB CYS A 23 6.315 3.392 5.804 1.00 0.00 C ATOM 344 SG CYS A 23 7.230 4.967 5.855 1.00 0.00 S ATOM 0 H CYS A 23 4.708 1.380 5.127 1.00 0.00 H new ATOM 0 HA CYS A 23 4.452 4.327 5.339 1.00 0.00 H new ATOM 0 HB2 CYS A 23 6.092 3.081 6.825 1.00 0.00 H new ATOM 0 HB3 CYS A 23 6.957 2.625 5.371 1.00 0.00 H new ATOM 349 N ALA A 24 4.382 4.180 2.788 1.00 0.00 N ATOM 350 CA ALA A 24 4.527 4.325 1.349 1.00 0.00 C ATOM 351 C ALA A 24 5.467 5.456 0.972 1.00 0.00 C ATOM 352 O ALA A 24 5.701 6.383 1.745 1.00 0.00 O ATOM 353 CB ALA A 24 3.168 4.552 0.710 1.00 0.00 C ATOM 0 H ALA A 24 3.524 4.580 3.168 1.00 0.00 H new ATOM 0 HA ALA A 24 4.964 3.399 0.975 1.00 0.00 H new ATOM 0 HB1 ALA A 24 3.286 4.660 -0.368 1.00 0.00 H new ATOM 0 HB2 ALA A 24 2.520 3.701 0.921 1.00 0.00 H new ATOM 0 HB3 ALA A 24 2.721 5.458 1.118 1.00 0.00 H new ATOM 359 N VAL A 25 5.994 5.358 -0.239 1.00 0.00 N ATOM 360 CA VAL A 25 6.912 6.350 -0.776 1.00 0.00 C ATOM 361 C VAL A 25 6.860 6.347 -2.299 1.00 0.00 C ATOM 362 O VAL A 25 6.725 5.288 -2.928 1.00 0.00 O ATOM 363 CB VAL A 25 8.359 6.092 -0.313 1.00 0.00 C ATOM 364 CG1 VAL A 25 9.269 7.242 -0.721 1.00 0.00 C ATOM 365 CG2 VAL A 25 8.410 5.872 1.191 1.00 0.00 C ATOM 0 H VAL A 25 5.797 4.587 -0.878 1.00 0.00 H new ATOM 0 HA VAL A 25 6.599 7.324 -0.399 1.00 0.00 H new ATOM 0 HB VAL A 25 8.717 5.186 -0.802 1.00 0.00 H new ATOM 0 HG11 VAL A 25 10.285 7.039 -0.384 1.00 0.00 H new ATOM 0 HG12 VAL A 25 9.260 7.346 -1.806 1.00 0.00 H new ATOM 0 HG13 VAL A 25 8.914 8.166 -0.265 1.00 0.00 H new ATOM 0 HG21 VAL A 25 9.440 5.692 1.498 1.00 0.00 H new ATOM 0 HG22 VAL A 25 8.029 6.757 1.701 1.00 0.00 H new ATOM 0 HG23 VAL A 25 7.797 5.010 1.454 1.00 0.00 H new ATOM 375 N ILE A 26 6.957 7.536 -2.883 1.00 0.00 N ATOM 376 CA ILE A 26 6.917 7.684 -4.336 1.00 0.00 C ATOM 377 C ILE A 26 8.069 8.550 -4.832 1.00 0.00 C ATOM 378 O ILE A 26 7.928 9.763 -4.985 1.00 0.00 O ATOM 379 CB ILE A 26 5.590 8.302 -4.828 1.00 0.00 C ATOM 380 CG1 ILE A 26 4.739 8.799 -3.652 1.00 0.00 C ATOM 381 CG2 ILE A 26 4.812 7.298 -5.665 1.00 0.00 C ATOM 382 CD1 ILE A 26 4.133 7.685 -2.826 1.00 0.00 C ATOM 0 H ILE A 26 7.064 8.413 -2.373 1.00 0.00 H new ATOM 0 HA ILE A 26 7.005 6.677 -4.743 1.00 0.00 H new ATOM 0 HB ILE A 26 5.832 9.162 -5.453 1.00 0.00 H new ATOM 0 HG12 ILE A 26 5.357 9.423 -3.006 1.00 0.00 H new ATOM 0 HG13 ILE A 26 3.939 9.431 -4.036 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.880 7.751 -6.003 1.00 0.00 H new ATOM 0 HG22 ILE A 26 5.408 7.006 -6.530 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.590 6.417 -5.063 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.546 8.113 -2.014 1.00 0.00 H new ATOM 0 HD12 ILE A 26 3.488 7.073 -3.457 1.00 0.00 H new ATOM 0 HD13 ILE A 26 4.928 7.065 -2.412 1.00 0.00 H new ATOM 394 N GLY A 27 9.202 7.914 -5.078 1.00 0.00 N ATOM 395 CA GLY A 27 10.380 8.619 -5.556 1.00 0.00 C ATOM 396 C GLY A 27 10.987 9.499 -4.488 1.00 0.00 C ATOM 397 O GLY A 27 12.153 9.343 -4.125 1.00 0.00 O ATOM 0 H GLY A 27 9.331 6.910 -4.955 1.00 0.00 H new ATOM 0 HA2 GLY A 27 11.122 7.896 -5.895 1.00 0.00 H new ATOM 0 HA3 GLY A 27 10.112 9.229 -6.419 1.00 0.00 H new ATOM 401 N ASP A 28 10.183 10.420 -3.985 1.00 0.00 N ATOM 402 CA ASP A 28 10.617 11.339 -2.943 1.00 0.00 C ATOM 403 C ASP A 28 9.419 11.826 -2.133 1.00 0.00 C ATOM 404 O ASP A 28 9.465 12.893 -1.521 1.00 0.00 O ATOM 405 CB ASP A 28 11.355 12.529 -3.557 1.00 0.00 C ATOM 406 CG ASP A 28 12.689 12.133 -4.160 1.00 0.00 C ATOM 407 OD1 ASP A 28 12.708 11.722 -5.340 1.00 0.00 O ATOM 408 OD2 ASP A 28 13.714 12.234 -3.453 1.00 0.00 O ATOM 0 H ASP A 28 9.217 10.553 -4.284 1.00 0.00 H new ATOM 0 HA ASP A 28 11.299 10.810 -2.277 1.00 0.00 H new ATOM 0 HB2 ASP A 28 10.731 12.982 -4.328 1.00 0.00 H new ATOM 0 HB3 ASP A 28 11.516 13.288 -2.791 1.00 0.00 H new ATOM 413 N ALA A 29 8.348 11.035 -2.132 1.00 0.00 N ATOM 414 CA ALA A 29 7.142 11.388 -1.394 1.00 0.00 C ATOM 415 C ALA A 29 6.746 10.269 -0.442 1.00 0.00 C ATOM 416 O ALA A 29 5.919 9.420 -0.774 1.00 0.00 O ATOM 417 CB ALA A 29 6.003 11.700 -2.355 1.00 0.00 C ATOM 0 H ALA A 29 8.293 10.148 -2.633 1.00 0.00 H new ATOM 0 HA ALA A 29 7.351 12.280 -0.803 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.110 11.962 -1.788 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.285 12.537 -2.994 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.798 10.825 -2.972 1.00 0.00 H new ATOM 423 N LYS A 30 7.349 10.267 0.740 1.00 0.00 N ATOM 424 CA LYS A 30 7.067 9.244 1.738 1.00 0.00 C ATOM 425 C LYS A 30 5.900 9.648 2.633 1.00 0.00 C ATOM 426 O LYS A 30 5.856 10.763 3.153 1.00 0.00 O ATOM 427 CB LYS A 30 8.308 8.976 2.591 1.00 0.00 C ATOM 428 CG LYS A 30 8.929 10.234 3.178 1.00 0.00 C ATOM 429 CD LYS A 30 10.044 9.902 4.156 1.00 0.00 C ATOM 430 CE LYS A 30 11.255 9.322 3.442 1.00 0.00 C ATOM 431 NZ LYS A 30 12.253 10.371 3.099 1.00 0.00 N ATOM 0 H LYS A 30 8.036 10.962 1.031 1.00 0.00 H new ATOM 0 HA LYS A 30 6.791 8.332 1.209 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.041 8.300 3.403 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.053 8.464 1.982 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.322 10.856 2.374 1.00 0.00 H new ATOM 0 HG3 LYS A 30 8.161 10.817 3.685 1.00 0.00 H new ATOM 0 HD2 LYS A 30 10.335 10.802 4.697 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.680 9.189 4.896 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.723 8.569 4.076 1.00 0.00 H new ATOM 0 HE3 LYS A 30 10.932 8.817 2.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.063 9.934 2.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.814 11.077 2.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.581 10.836 3.969 1.00 0.00 H new ATOM 445 N GLU A 31 4.961 8.725 2.810 1.00 0.00 N ATOM 446 CA GLU A 31 3.789 8.964 3.644 1.00 0.00 C ATOM 447 C GLU A 31 3.158 7.639 4.063 1.00 0.00 C ATOM 448 O GLU A 31 3.266 6.640 3.353 1.00 0.00 O ATOM 449 CB GLU A 31 2.765 9.820 2.894 1.00 0.00 C ATOM 450 CG GLU A 31 2.721 11.264 3.364 1.00 0.00 C ATOM 451 CD GLU A 31 1.311 11.822 3.399 1.00 0.00 C ATOM 452 OE1 GLU A 31 0.399 11.100 3.854 1.00 0.00 O ATOM 453 OE2 GLU A 31 1.120 12.979 2.972 1.00 0.00 O ATOM 0 H GLU A 31 4.990 7.799 2.384 1.00 0.00 H new ATOM 0 HA GLU A 31 4.105 9.501 4.538 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.997 9.800 1.829 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.776 9.377 3.013 1.00 0.00 H new ATOM 0 HG2 GLU A 31 3.160 11.332 4.359 1.00 0.00 H new ATOM 0 HG3 GLU A 31 3.334 11.876 2.703 1.00 0.00 H new ATOM 460 N GLU A 32 2.501 7.633 5.219 1.00 0.00 N ATOM 461 CA GLU A 32 1.861 6.422 5.717 1.00 0.00 C ATOM 462 C GLU A 32 0.651 6.060 4.872 1.00 0.00 C ATOM 463 O GLU A 32 0.215 6.835 4.021 1.00 0.00 O ATOM 464 CB GLU A 32 1.419 6.594 7.169 1.00 0.00 C ATOM 465 CG GLU A 32 2.471 6.177 8.182 1.00 0.00 C ATOM 466 CD GLU A 32 2.176 4.827 8.804 1.00 0.00 C ATOM 467 OE1 GLU A 32 0.986 4.528 9.037 1.00 0.00 O ATOM 468 OE2 GLU A 32 3.134 4.067 9.058 1.00 0.00 O ATOM 0 H GLU A 32 2.399 8.448 5.824 1.00 0.00 H new ATOM 0 HA GLU A 32 2.596 5.620 5.657 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.158 7.639 7.339 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.515 6.009 7.336 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.446 6.144 7.696 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.532 6.930 8.968 1.00 0.00 H new ATOM 475 N HIS A 33 0.110 4.878 5.124 1.00 0.00 N ATOM 476 CA HIS A 33 -1.060 4.410 4.400 1.00 0.00 C ATOM 477 C HIS A 33 -1.770 3.299 5.166 1.00 0.00 C ATOM 478 O HIS A 33 -1.155 2.561 5.935 1.00 0.00 O ATOM 479 CB HIS A 33 -0.663 3.931 3.002 1.00 0.00 C ATOM 480 CG HIS A 33 -0.947 4.945 1.941 1.00 0.00 C ATOM 481 ND1 HIS A 33 -0.088 5.220 0.900 1.00 0.00 N ATOM 482 CD2 HIS A 33 -2.007 5.763 1.776 1.00 0.00 C ATOM 483 CE1 HIS A 33 -0.608 6.168 0.140 1.00 0.00 C ATOM 484 NE2 HIS A 33 -1.775 6.514 0.651 1.00 0.00 N ATOM 0 H HIS A 33 0.463 4.226 5.824 1.00 0.00 H new ATOM 0 HA HIS A 33 -1.754 5.244 4.299 1.00 0.00 H new ATOM 0 HB2 HIS A 33 0.400 3.691 2.993 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -1.200 3.011 2.772 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -2.878 5.817 2.412 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -0.156 6.587 -0.747 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -2.402 7.224 0.272 1.00 0.00 H new ATOM 493 N ARG A 34 -3.074 3.199 4.958 1.00 0.00 N ATOM 494 CA ARG A 34 -3.881 2.186 5.628 1.00 0.00 C ATOM 495 C ARG A 34 -4.114 0.980 4.725 1.00 0.00 C ATOM 496 O ARG A 34 -3.624 -0.115 4.997 1.00 0.00 O ATOM 497 CB ARG A 34 -5.226 2.772 6.049 1.00 0.00 C ATOM 498 CG ARG A 34 -5.117 3.850 7.114 1.00 0.00 C ATOM 499 CD ARG A 34 -4.415 3.334 8.360 1.00 0.00 C ATOM 500 NE ARG A 34 -5.113 2.193 8.948 1.00 0.00 N ATOM 501 CZ ARG A 34 -6.204 2.299 9.702 1.00 0.00 C ATOM 502 NH1 ARG A 34 -6.728 3.492 9.959 1.00 0.00 N ATOM 503 NH2 ARG A 34 -6.775 1.210 10.200 1.00 0.00 N ATOM 0 H ARG A 34 -3.599 3.808 4.330 1.00 0.00 H new ATOM 0 HA ARG A 34 -3.334 1.858 6.512 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -5.721 3.189 5.172 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -5.861 1.969 6.422 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -4.570 4.704 6.714 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -6.113 4.205 7.377 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -3.395 3.044 8.108 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -4.346 4.135 9.096 1.00 0.00 H new ATOM 0 HE ARG A 34 -4.742 1.260 8.770 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -6.294 4.333 9.578 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -7.565 3.568 10.538 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -6.378 0.291 10.005 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -7.611 1.292 10.778 1.00 0.00 H new ATOM 517 N ASN A 35 -4.867 1.190 3.649 1.00 0.00 N ATOM 518 CA ASN A 35 -5.171 0.119 2.708 1.00 0.00 C ATOM 519 C ASN A 35 -3.993 -0.121 1.777 1.00 0.00 C ATOM 520 O ASN A 35 -4.062 0.142 0.580 1.00 0.00 O ATOM 521 CB ASN A 35 -6.422 0.462 1.895 1.00 0.00 C ATOM 522 CG ASN A 35 -7.555 0.971 2.766 1.00 0.00 C ATOM 523 OD1 ASN A 35 -7.976 2.121 2.647 1.00 0.00 O ATOM 524 ND2 ASN A 35 -8.056 0.112 3.646 1.00 0.00 N ATOM 0 H ASN A 35 -5.277 2.092 3.408 1.00 0.00 H new ATOM 0 HA ASN A 35 -5.360 -0.793 3.275 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -6.172 1.217 1.150 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.754 -0.423 1.352 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -8.821 0.396 4.258 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -7.676 -0.832 3.710 1.00 0.00 H new ATOM 531 N MET A 36 -2.914 -0.629 2.355 1.00 0.00 N ATOM 532 CA MET A 36 -1.694 -0.923 1.617 1.00 0.00 C ATOM 533 C MET A 36 -1.991 -1.761 0.378 1.00 0.00 C ATOM 534 O MET A 36 -1.407 -1.546 -0.686 1.00 0.00 O ATOM 535 CB MET A 36 -0.712 -1.640 2.557 1.00 0.00 C ATOM 536 CG MET A 36 0.120 -2.746 1.915 1.00 0.00 C ATOM 537 SD MET A 36 1.687 -2.140 1.273 1.00 0.00 S ATOM 538 CE MET A 36 2.753 -2.447 2.676 1.00 0.00 C ATOM 0 H MET A 36 -2.860 -0.849 3.349 1.00 0.00 H new ATOM 0 HA MET A 36 -1.244 0.006 1.268 1.00 0.00 H new ATOM 0 HB2 MET A 36 -0.035 -0.899 2.981 1.00 0.00 H new ATOM 0 HB3 MET A 36 -1.276 -2.068 3.386 1.00 0.00 H new ATOM 0 HG2 MET A 36 0.310 -3.528 2.651 1.00 0.00 H new ATOM 0 HG3 MET A 36 -0.450 -3.202 1.105 1.00 0.00 H new ATOM 0 HE1 MET A 36 3.432 -1.605 2.808 1.00 0.00 H new ATOM 0 HE2 MET A 36 2.147 -2.568 3.574 1.00 0.00 H new ATOM 0 HE3 MET A 36 3.330 -3.355 2.502 1.00 0.00 H new ATOM 548 N CYS A 37 -2.895 -2.717 0.525 1.00 0.00 N ATOM 549 CA CYS A 37 -3.264 -3.590 -0.584 1.00 0.00 C ATOM 550 C CYS A 37 -4.023 -2.814 -1.645 1.00 0.00 C ATOM 551 O CYS A 37 -3.686 -2.865 -2.828 1.00 0.00 O ATOM 552 CB CYS A 37 -4.103 -4.769 -0.090 1.00 0.00 C ATOM 553 SG CYS A 37 -5.378 -4.313 1.132 1.00 0.00 S ATOM 0 H CYS A 37 -3.387 -2.910 1.398 1.00 0.00 H new ATOM 0 HA CYS A 37 -2.347 -3.980 -1.027 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -4.587 -5.241 -0.945 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.440 -5.513 0.352 1.00 0.00 H new ATOM 558 N ALA A 38 -5.037 -2.079 -1.217 1.00 0.00 N ATOM 559 CA ALA A 38 -5.822 -1.274 -2.138 1.00 0.00 C ATOM 560 C ALA A 38 -4.981 -0.124 -2.683 1.00 0.00 C ATOM 561 O ALA A 38 -5.380 0.559 -3.624 1.00 0.00 O ATOM 562 CB ALA A 38 -7.085 -0.754 -1.461 1.00 0.00 C ATOM 0 H ALA A 38 -5.334 -2.023 -0.243 1.00 0.00 H new ATOM 0 HA ALA A 38 -6.127 -1.902 -2.975 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.657 -0.154 -2.169 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -7.691 -1.596 -1.126 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.811 -0.140 -0.603 1.00 0.00 H new ATOM 568 N LEU A 39 -3.809 0.074 -2.085 1.00 0.00 N ATOM 569 CA LEU A 39 -2.896 1.123 -2.499 1.00 0.00 C ATOM 570 C LEU A 39 -2.019 0.661 -3.623 1.00 0.00 C ATOM 571 O LEU A 39 -1.907 1.333 -4.630 1.00 0.00 O ATOM 572 CB LEU A 39 -2.018 1.532 -1.327 1.00 0.00 C ATOM 573 CG LEU A 39 -1.624 3.015 -1.247 1.00 0.00 C ATOM 574 CD1 LEU A 39 -0.146 3.143 -0.912 1.00 0.00 C ATOM 575 CD2 LEU A 39 -1.932 3.749 -2.547 1.00 0.00 C ATOM 0 H LEU A 39 -3.471 -0.488 -1.304 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.490 1.971 -2.840 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.535 1.267 -0.405 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.105 0.938 -1.362 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.216 3.476 -0.457 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.125 4.197 -0.857 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.052 2.667 0.049 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.446 2.656 -1.687 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.640 4.795 -2.452 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.377 3.290 -3.365 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.000 3.688 -2.755 1.00 0.00 H new ATOM 587 N CYS A 40 -1.397 -0.486 -3.452 1.00 0.00 N ATOM 588 CA CYS A 40 -0.537 -1.000 -4.493 1.00 0.00 C ATOM 589 C CYS A 40 -1.376 -1.349 -5.704 1.00 0.00 C ATOM 590 O CYS A 40 -0.935 -1.204 -6.838 1.00 0.00 O ATOM 591 CB CYS A 40 0.251 -2.208 -4.014 1.00 0.00 C ATOM 592 SG CYS A 40 1.979 -2.229 -4.592 1.00 0.00 S ATOM 0 H CYS A 40 -1.469 -1.070 -2.619 1.00 0.00 H new ATOM 0 HA CYS A 40 0.187 -0.231 -4.764 1.00 0.00 H new ATOM 0 HB2 CYS A 40 0.241 -2.229 -2.924 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -0.248 -3.115 -4.355 1.00 0.00 H new ATOM 597 N CYS A 41 -2.604 -1.791 -5.463 1.00 0.00 N ATOM 598 CA CYS A 41 -3.489 -2.129 -6.558 1.00 0.00 C ATOM 599 C CYS A 41 -3.928 -0.871 -7.308 1.00 0.00 C ATOM 600 O CYS A 41 -4.052 -0.874 -8.533 1.00 0.00 O ATOM 601 CB CYS A 41 -4.686 -2.899 -6.032 1.00 0.00 C ATOM 602 SG CYS A 41 -6.155 -1.915 -5.595 1.00 0.00 S ATOM 0 H CYS A 41 -3.001 -1.921 -4.532 1.00 0.00 H new ATOM 0 HA CYS A 41 -2.953 -2.762 -7.265 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -4.978 -3.632 -6.784 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -4.373 -3.456 -5.149 1.00 0.00 H new ATOM 607 N GLU A 42 -4.166 0.199 -6.554 1.00 0.00 N ATOM 608 CA GLU A 42 -4.599 1.476 -7.138 1.00 0.00 C ATOM 609 C GLU A 42 -3.472 2.516 -7.153 1.00 0.00 C ATOM 610 O GLU A 42 -3.726 3.717 -7.253 1.00 0.00 O ATOM 611 CB GLU A 42 -5.801 2.034 -6.376 1.00 0.00 C ATOM 612 CG GLU A 42 -7.126 1.422 -6.796 1.00 0.00 C ATOM 613 CD GLU A 42 -7.374 1.539 -8.288 1.00 0.00 C ATOM 614 OE1 GLU A 42 -6.876 0.677 -9.042 1.00 0.00 O ATOM 615 OE2 GLU A 42 -8.067 2.492 -8.701 1.00 0.00 O ATOM 0 H GLU A 42 -4.068 0.213 -5.539 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.882 1.273 -8.171 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.654 1.865 -5.309 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.846 3.113 -6.525 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -7.144 0.370 -6.510 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.936 1.913 -6.257 1.00 0.00 H new ATOM 622 N HIS A 43 -2.237 2.049 -7.038 1.00 0.00 N ATOM 623 CA HIS A 43 -1.064 2.927 -7.018 1.00 0.00 C ATOM 624 C HIS A 43 -0.695 3.393 -8.424 1.00 0.00 C ATOM 625 O HIS A 43 -1.260 2.922 -9.412 1.00 0.00 O ATOM 626 CB HIS A 43 0.123 2.183 -6.401 1.00 0.00 C ATOM 627 CG HIS A 43 0.548 0.977 -7.181 1.00 0.00 C ATOM 628 ND1 HIS A 43 -0.001 0.624 -8.400 1.00 0.00 N ATOM 629 CD2 HIS A 43 1.480 0.038 -6.907 1.00 0.00 C ATOM 630 CE1 HIS A 43 0.579 -0.479 -8.838 1.00 0.00 C ATOM 631 NE2 HIS A 43 1.481 -0.856 -7.952 1.00 0.00 N ATOM 0 H HIS A 43 -2.015 1.057 -6.956 1.00 0.00 H new ATOM 0 HA HIS A 43 -1.308 3.805 -6.420 1.00 0.00 H new ATOM 0 HB2 HIS A 43 0.967 2.868 -6.319 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -0.138 1.876 -5.388 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -0.738 1.135 -8.885 1.00 0.00 H new ATOM 0 HD2 HIS A 43 2.108 -0.003 -6.029 1.00 0.00 H new ATOM 0 HE1 HIS A 43 0.353 -0.986 -9.764 1.00 0.00 H new ATOM 640 N PRO A 44 0.260 4.334 -8.531 1.00 0.00 N ATOM 641 CA PRO A 44 0.701 4.867 -9.825 1.00 0.00 C ATOM 642 C PRO A 44 1.328 3.793 -10.708 1.00 0.00 C ATOM 643 O PRO A 44 0.792 3.455 -11.764 1.00 0.00 O ATOM 644 CB PRO A 44 1.742 5.931 -9.449 1.00 0.00 C ATOM 645 CG PRO A 44 1.493 6.232 -8.010 1.00 0.00 C ATOM 646 CD PRO A 44 0.984 4.954 -7.408 1.00 0.00 C ATOM 0 HA PRO A 44 -0.133 5.263 -10.404 1.00 0.00 H new ATOM 0 HB2 PRO A 44 2.756 5.562 -9.604 1.00 0.00 H new ATOM 0 HB3 PRO A 44 1.631 6.825 -10.063 1.00 0.00 H new ATOM 0 HG2 PRO A 44 2.407 6.561 -7.515 1.00 0.00 H new ATOM 0 HG3 PRO A 44 0.764 7.035 -7.899 1.00 0.00 H new ATOM 0 HD2 PRO A 44 1.797 4.322 -7.052 1.00 0.00 H new ATOM 0 HD3 PRO A 44 0.329 5.140 -6.557 1.00 0.00 H new ATOM 654 N GLY A 45 2.465 3.259 -10.272 1.00 0.00 N ATOM 655 CA GLY A 45 3.143 2.229 -11.039 1.00 0.00 C ATOM 656 C GLY A 45 4.069 1.382 -10.187 1.00 0.00 C ATOM 657 O GLY A 45 5.253 1.245 -10.495 1.00 0.00 O ATOM 0 H GLY A 45 2.929 3.521 -9.402 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.401 1.586 -11.512 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.717 2.696 -11.839 1.00 0.00 H new ATOM 661 N GLY A 46 3.530 0.816 -9.111 1.00 0.00 N ATOM 662 CA GLY A 46 4.331 -0.012 -8.227 1.00 0.00 C ATOM 663 C GLY A 46 5.391 0.780 -7.503 1.00 0.00 C ATOM 664 O GLY A 46 6.571 0.432 -7.546 1.00 0.00 O ATOM 0 H GLY A 46 2.553 0.916 -8.836 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.681 -0.495 -7.498 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.805 -0.804 -8.806 1.00 0.00 H new ATOM 668 N PHE A 47 4.972 1.845 -6.828 1.00 0.00 N ATOM 669 CA PHE A 47 5.898 2.680 -6.080 1.00 0.00 C ATOM 670 C PHE A 47 6.564 1.849 -4.980 1.00 0.00 C ATOM 671 O PHE A 47 7.233 0.862 -5.276 1.00 0.00 O ATOM 672 CB PHE A 47 5.168 3.901 -5.503 1.00 0.00 C ATOM 673 CG PHE A 47 3.819 3.595 -4.903 1.00 0.00 C ATOM 674 CD1 PHE A 47 3.517 2.330 -4.415 1.00 0.00 C ATOM 675 CD2 PHE A 47 2.848 4.582 -4.829 1.00 0.00 C ATOM 676 CE1 PHE A 47 2.278 2.059 -3.867 1.00 0.00 C ATOM 677 CE2 PHE A 47 1.607 4.315 -4.282 1.00 0.00 C ATOM 678 CZ PHE A 47 1.323 3.053 -3.800 1.00 0.00 C ATOM 0 H PHE A 47 3.999 2.148 -6.785 1.00 0.00 H new ATOM 0 HA PHE A 47 6.677 3.050 -6.747 1.00 0.00 H new ATOM 0 HB2 PHE A 47 5.797 4.357 -4.738 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.041 4.640 -6.294 1.00 0.00 H new ATOM 0 HD1 PHE A 47 4.260 1.548 -4.465 1.00 0.00 H new ATOM 0 HD2 PHE A 47 3.064 5.572 -5.203 1.00 0.00 H new ATOM 0 HE1 PHE A 47 2.057 1.071 -3.492 1.00 0.00 H new ATOM 0 HE2 PHE A 47 0.860 5.093 -4.232 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.354 2.844 -3.371 1.00 0.00 H new ATOM 688 N GLU A 48 6.383 2.220 -3.716 1.00 0.00 N ATOM 689 CA GLU A 48 6.986 1.451 -2.634 1.00 0.00 C ATOM 690 C GLU A 48 6.295 1.721 -1.306 1.00 0.00 C ATOM 691 O GLU A 48 5.506 2.657 -1.173 1.00 0.00 O ATOM 692 CB GLU A 48 8.476 1.768 -2.528 1.00 0.00 C ATOM 693 CG GLU A 48 8.767 3.202 -2.123 1.00 0.00 C ATOM 694 CD GLU A 48 9.432 3.999 -3.228 1.00 0.00 C ATOM 695 OE1 GLU A 48 8.975 3.904 -4.386 1.00 0.00 O ATOM 696 OE2 GLU A 48 10.411 4.717 -2.936 1.00 0.00 O ATOM 0 H GLU A 48 5.837 3.029 -3.420 1.00 0.00 H new ATOM 0 HA GLU A 48 6.861 0.393 -2.866 1.00 0.00 H new ATOM 0 HB2 GLU A 48 8.931 1.095 -1.801 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.950 1.568 -3.489 1.00 0.00 H new ATOM 0 HG2 GLU A 48 7.835 3.691 -1.838 1.00 0.00 H new ATOM 0 HG3 GLU A 48 9.410 3.203 -1.243 1.00 0.00 H new ATOM 703 N TYR A 49 6.598 0.877 -0.334 1.00 0.00 N ATOM 704 CA TYR A 49 6.022 0.972 0.998 1.00 0.00 C ATOM 705 C TYR A 49 6.877 0.225 1.991 1.00 0.00 C ATOM 706 O TYR A 49 7.774 -0.533 1.622 1.00 0.00 O ATOM 707 CB TYR A 49 4.620 0.401 1.004 1.00 0.00 C ATOM 708 CG TYR A 49 4.531 -0.968 0.397 1.00 0.00 C ATOM 709 CD1 TYR A 49 5.121 -2.048 1.031 1.00 0.00 C ATOM 710 CD2 TYR A 49 3.849 -1.189 -0.792 1.00 0.00 C ATOM 711 CE1 TYR A 49 5.042 -3.311 0.503 1.00 0.00 C ATOM 712 CE2 TYR A 49 3.763 -2.454 -1.328 1.00 0.00 C ATOM 713 CZ TYR A 49 4.360 -3.511 -0.676 1.00 0.00 C ATOM 714 OH TYR A 49 4.273 -4.771 -1.200 1.00 0.00 O ATOM 0 H TYR A 49 7.253 0.103 -0.446 1.00 0.00 H new ATOM 0 HA TYR A 49 5.981 2.023 1.282 1.00 0.00 H new ATOM 0 HB2 TYR A 49 4.257 0.359 2.031 1.00 0.00 H new ATOM 0 HB3 TYR A 49 3.959 1.075 0.460 1.00 0.00 H new ATOM 0 HD1 TYR A 49 5.653 -1.893 1.958 1.00 0.00 H new ATOM 0 HD2 TYR A 49 3.381 -0.360 -1.302 1.00 0.00 H new ATOM 0 HE1 TYR A 49 5.511 -4.142 1.008 1.00 0.00 H new ATOM 0 HE2 TYR A 49 3.231 -2.617 -2.254 1.00 0.00 H new ATOM 0 HH TYR A 49 4.221 -4.716 -2.177 1.00 0.00 H new ATOM 724 N SER A 50 6.586 0.445 3.249 1.00 0.00 N ATOM 725 CA SER A 50 7.314 -0.201 4.318 1.00 0.00 C ATOM 726 C SER A 50 6.360 -0.578 5.434 1.00 0.00 C ATOM 727 O SER A 50 6.082 0.221 6.327 1.00 0.00 O ATOM 728 CB SER A 50 8.408 0.718 4.842 1.00 0.00 C ATOM 729 OG SER A 50 8.637 1.801 3.956 1.00 0.00 O ATOM 0 H SER A 50 5.844 1.071 3.562 1.00 0.00 H new ATOM 0 HA SER A 50 7.782 -1.107 3.933 1.00 0.00 H new ATOM 0 HB2 SER A 50 8.126 1.101 5.823 1.00 0.00 H new ATOM 0 HB3 SER A 50 9.330 0.152 4.974 1.00 0.00 H new ATOM 0 HG SER A 50 7.782 2.223 3.727 1.00 0.00 H new ATOM 735 N ASN A 51 5.846 -1.795 5.364 1.00 0.00 N ATOM 736 CA ASN A 51 4.902 -2.270 6.360 1.00 0.00 C ATOM 737 C ASN A 51 5.424 -2.044 7.767 1.00 0.00 C ATOM 738 O ASN A 51 6.551 -2.407 8.099 1.00 0.00 O ATOM 739 CB ASN A 51 4.580 -3.745 6.170 1.00 0.00 C ATOM 740 CG ASN A 51 4.171 -4.079 4.751 1.00 0.00 C ATOM 741 OD1 ASN A 51 4.958 -3.936 3.816 1.00 0.00 O ATOM 742 ND2 ASN A 51 2.933 -4.530 4.584 1.00 0.00 N ATOM 0 H ASN A 51 6.066 -2.469 4.631 1.00 0.00 H new ATOM 0 HA ASN A 51 3.987 -1.693 6.224 1.00 0.00 H new ATOM 0 HB2 ASN A 51 5.452 -4.340 6.441 1.00 0.00 H new ATOM 0 HB3 ASN A 51 3.777 -4.027 6.851 1.00 0.00 H new ATOM 0 HD21 ASN A 51 2.601 -4.774 3.651 1.00 0.00 H new ATOM 0 HD22 ASN A 51 2.315 -4.633 5.389 1.00 0.00 H new ATOM 749 N GLY A 52 4.580 -1.445 8.581 1.00 0.00 N ATOM 750 CA GLY A 52 4.939 -1.169 9.961 1.00 0.00 C ATOM 751 C GLY A 52 4.917 0.312 10.288 1.00 0.00 C ATOM 752 O GLY A 52 4.777 1.145 9.393 1.00 0.00 O ATOM 0 H GLY A 52 3.644 -1.140 8.315 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.250 -1.693 10.623 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.935 -1.566 10.159 1.00 0.00 H new ATOM 756 N PRO A 53 5.062 0.675 11.575 1.00 0.00 N ATOM 757 CA PRO A 53 5.061 2.074 12.011 1.00 0.00 C ATOM 758 C PRO A 53 6.029 2.927 11.198 1.00 0.00 C ATOM 759 O PRO A 53 7.064 2.442 10.740 1.00 0.00 O ATOM 760 CB PRO A 53 5.505 2.006 13.483 1.00 0.00 C ATOM 761 CG PRO A 53 5.980 0.606 13.698 1.00 0.00 C ATOM 762 CD PRO A 53 5.244 -0.243 12.705 1.00 0.00 C ATOM 0 HA PRO A 53 4.084 2.539 11.878 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.299 2.724 13.686 1.00 0.00 H new ATOM 0 HB3 PRO A 53 4.679 2.246 14.153 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.057 0.533 13.549 1.00 0.00 H new ATOM 0 HG3 PRO A 53 5.776 0.278 14.717 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.817 -1.126 12.422 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.291 -0.595 13.100 1.00 0.00 H new ATOM 770 N CYS A 54 5.685 4.197 11.017 1.00 0.00 N ATOM 771 CA CYS A 54 6.524 5.111 10.251 1.00 0.00 C ATOM 772 C CYS A 54 6.174 6.564 10.557 1.00 0.00 C ATOM 773 O CYS A 54 6.972 7.296 11.144 1.00 0.00 O ATOM 774 CB CYS A 54 6.357 4.842 8.755 1.00 0.00 C ATOM 775 SG CYS A 54 7.874 5.089 7.777 1.00 0.00 S ATOM 0 H CYS A 54 4.833 4.616 11.389 1.00 0.00 H new ATOM 0 HA CYS A 54 7.562 4.941 10.538 1.00 0.00 H new ATOM 0 HB2 CYS A 54 6.013 3.817 8.618 1.00 0.00 H new ATOM 0 HB3 CYS A 54 5.576 5.495 8.365 1.00 0.00 H new ATOM 780 N GLU A 55 4.978 6.973 10.153 1.00 0.00 N ATOM 781 CA GLU A 55 4.519 8.339 10.378 1.00 0.00 C ATOM 782 C GLU A 55 3.466 8.384 11.482 1.00 0.00 C ATOM 783 O GLU A 55 3.038 9.500 11.845 1.00 0.00 O ATOM 784 CB GLU A 55 3.947 8.925 9.085 1.00 0.00 C ATOM 785 CG GLU A 55 4.379 10.359 8.824 1.00 0.00 C ATOM 786 CD GLU A 55 5.366 10.473 7.677 1.00 0.00 C ATOM 787 OE1 GLU A 55 6.434 9.829 7.747 1.00 0.00 O ATOM 788 OE2 GLU A 55 5.069 11.204 6.710 1.00 0.00 O ATOM 789 OXT GLU A 55 3.079 7.303 11.975 1.00 0.00 O ATOM 0 H GLU A 55 4.307 6.378 9.667 1.00 0.00 H new ATOM 0 HA GLU A 55 5.374 8.937 10.693 1.00 0.00 H new ATOM 0 HB2 GLU A 55 4.257 8.302 8.246 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.859 8.884 9.128 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.500 10.965 8.603 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.830 10.769 9.728 1.00 0.00 H new