USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 544 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 15 CYS SG : rot -166:sc= 0.183 USER MOD Set 1.2: A 59 TYR OH : rot -115:sc= 0.196 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 164:sc= 0.802 (180deg=0.651) USER MOD Single : A 17 MET CE :methyl -162:sc= 0 (180deg=-0.163) USER MOD Single : A 20 SER OG : rot 77:sc= 0.755 USER MOD Single : A 21 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0521) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.0207 X(o=-0.021,f=-0.17) USER MOD Single : A 31 TYR OH : rot 10:sc= 1.29 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 153:sc= 0.899 (180deg=0.521) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.704 X(o=-0.7,f=-0.4) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 28:sc= 0.692 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 18 N ARG A 2 11.248 4.379 3.078 1.00 0.00 N ATOM 19 CA ARG A 2 9.798 4.257 3.026 1.00 0.00 C ATOM 20 C ARG A 2 9.230 5.080 1.882 1.00 0.00 C ATOM 21 O ARG A 2 9.874 5.988 1.361 1.00 0.00 O ATOM 22 CB ARG A 2 9.138 4.561 4.379 1.00 0.00 C ATOM 23 CG ARG A 2 9.191 6.044 4.736 1.00 0.00 C ATOM 24 CD ARG A 2 8.335 6.359 5.960 1.00 0.00 C ATOM 25 NE ARG A 2 8.560 7.749 6.345 1.00 0.00 N ATOM 26 CZ ARG A 2 8.491 8.307 7.546 1.00 0.00 C ATOM 27 NH1 ARG A 2 8.010 7.642 8.591 1.00 0.00 N ATOM 28 NH2 ARG A 2 8.915 9.553 7.666 1.00 0.00 N ATOM 0 HA ARG A 2 9.555 3.215 2.819 1.00 0.00 H new ATOM 0 HB2 ARG A 2 8.099 4.234 4.354 1.00 0.00 H new ATOM 0 HB3 ARG A 2 9.635 3.985 5.159 1.00 0.00 H new ATOM 0 HG2 ARG A 2 10.223 6.336 4.929 1.00 0.00 H new ATOM 0 HG3 ARG A 2 8.846 6.635 3.888 1.00 0.00 H new ATOM 0 HD2 ARG A 2 7.281 6.195 5.736 1.00 0.00 H new ATOM 0 HD3 ARG A 2 8.593 5.693 6.783 1.00 0.00 H new ATOM 0 HE ARG A 2 8.805 8.380 5.582 1.00 0.00 H new ATOM 0 HH11 ARG A 2 7.684 6.682 8.479 1.00 0.00 H new ATOM 0 HH12 ARG A 2 7.967 8.092 9.506 1.00 0.00 H new ATOM 0 HH21 ARG A 2 9.278 10.049 6.852 1.00 0.00 H new ATOM 0 HH22 ARG A 2 8.879 10.019 8.573 1.00 0.00 H new ATOM 42 N TYR A 3 8.005 4.741 1.512 1.00 0.00 N ATOM 43 CA TYR A 3 7.299 5.283 0.364 1.00 0.00 C ATOM 44 C TYR A 3 5.835 5.228 0.676 1.00 0.00 C ATOM 45 O TYR A 3 5.268 4.227 1.106 1.00 0.00 O ATOM 46 CB TYR A 3 7.595 4.464 -0.900 1.00 0.00 C ATOM 47 CG TYR A 3 9.057 4.165 -1.199 1.00 0.00 C ATOM 48 CD1 TYR A 3 9.827 5.050 -1.978 1.00 0.00 C ATOM 49 CD2 TYR A 3 9.643 2.968 -0.734 1.00 0.00 C ATOM 50 CE1 TYR A 3 11.151 4.727 -2.330 1.00 0.00 C ATOM 51 CE2 TYR A 3 10.969 2.639 -1.075 1.00 0.00 C ATOM 52 CZ TYR A 3 11.711 3.502 -1.907 1.00 0.00 C ATOM 53 OH TYR A 3 12.947 3.128 -2.331 1.00 0.00 O ATOM 0 H TYR A 3 7.454 4.053 2.025 1.00 0.00 H new ATOM 0 HA TYR A 3 7.623 6.306 0.174 1.00 0.00 H new ATOM 0 HB2 TYR A 3 7.064 3.515 -0.822 1.00 0.00 H new ATOM 0 HB3 TYR A 3 7.176 4.995 -1.754 1.00 0.00 H new ATOM 0 HD1 TYR A 3 9.398 5.985 -2.308 1.00 0.00 H new ATOM 0 HD2 TYR A 3 9.069 2.298 -0.111 1.00 0.00 H new ATOM 0 HE1 TYR A 3 11.737 5.414 -2.922 1.00 0.00 H new ATOM 0 HE2 TYR A 3 11.416 1.730 -0.701 1.00 0.00 H new ATOM 0 HH TYR A 3 13.177 2.258 -1.942 1.00 0.00 H new ATOM 63 N VAL A 4 5.283 6.397 0.469 1.00 0.00 N ATOM 64 CA VAL A 4 3.903 6.713 0.440 1.00 0.00 C ATOM 65 C VAL A 4 3.342 6.460 -0.946 1.00 0.00 C ATOM 66 O VAL A 4 3.868 6.963 -1.936 1.00 0.00 O ATOM 67 CB VAL A 4 3.731 8.163 0.881 1.00 0.00 C ATOM 68 CG1 VAL A 4 3.576 8.296 2.399 1.00 0.00 C ATOM 69 CG2 VAL A 4 4.833 9.112 0.418 1.00 0.00 C ATOM 0 H VAL A 4 5.858 7.223 0.302 1.00 0.00 H new ATOM 0 HA VAL A 4 3.344 6.076 1.126 1.00 0.00 H new ATOM 0 HB VAL A 4 2.811 8.466 0.381 1.00 0.00 H new ATOM 0 HG11 VAL A 4 3.457 9.347 2.662 1.00 0.00 H new ATOM 0 HG12 VAL A 4 2.698 7.738 2.725 1.00 0.00 H new ATOM 0 HG13 VAL A 4 4.463 7.897 2.892 1.00 0.00 H new ATOM 0 HG21 VAL A 4 4.623 10.118 0.780 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.792 8.777 0.814 1.00 0.00 H new ATOM 0 HG23 VAL A 4 4.873 9.120 -0.671 1.00 0.00 H new ATOM 79 N LEU A 5 2.260 5.700 -1.010 1.00 0.00 N ATOM 80 CA LEU A 5 1.547 5.338 -2.219 1.00 0.00 C ATOM 81 C LEU A 5 0.143 5.924 -2.129 1.00 0.00 C ATOM 82 O LEU A 5 -0.452 5.916 -1.044 1.00 0.00 O ATOM 83 CB LEU A 5 1.436 3.818 -2.335 1.00 0.00 C ATOM 84 CG LEU A 5 2.552 2.937 -1.747 1.00 0.00 C ATOM 85 CD1 LEU A 5 2.164 1.478 -1.981 1.00 0.00 C ATOM 86 CD2 LEU A 5 3.928 3.193 -2.361 1.00 0.00 C ATOM 0 H LEU A 5 1.835 5.299 -0.174 1.00 0.00 H new ATOM 0 HA LEU A 5 2.081 5.721 -3.088 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.500 3.520 -1.863 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.350 3.575 -3.394 1.00 0.00 H new ATOM 0 HG LEU A 5 2.641 3.180 -0.688 1.00 0.00 H new ATOM 0 HD11 LEU A 5 2.937 0.826 -1.574 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.216 1.270 -1.485 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.062 1.296 -3.051 1.00 0.00 H new ATOM 0 HD21 LEU A 5 4.662 2.535 -1.896 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.891 2.995 -3.432 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.214 4.231 -2.193 1.00 0.00 H new ATOM 98 N TYR A 6 -0.411 6.358 -3.256 1.00 0.00 N ATOM 99 CA TYR A 6 -1.756 6.895 -3.354 1.00 0.00 C ATOM 100 C TYR A 6 -2.661 5.813 -3.935 1.00 0.00 C ATOM 101 O TYR A 6 -2.621 5.536 -5.138 1.00 0.00 O ATOM 102 CB TYR A 6 -1.738 8.203 -4.164 1.00 0.00 C ATOM 103 CG TYR A 6 -2.981 9.067 -4.022 1.00 0.00 C ATOM 104 CD1 TYR A 6 -3.543 9.305 -2.750 1.00 0.00 C ATOM 105 CD2 TYR A 6 -3.539 9.700 -5.151 1.00 0.00 C ATOM 106 CE1 TYR A 6 -4.650 10.152 -2.604 1.00 0.00 C ATOM 107 CE2 TYR A 6 -4.660 10.537 -5.016 1.00 0.00 C ATOM 108 CZ TYR A 6 -5.209 10.778 -3.735 1.00 0.00 C ATOM 109 OH TYR A 6 -6.314 11.546 -3.587 1.00 0.00 O ATOM 0 H TYR A 6 0.080 6.344 -4.150 1.00 0.00 H new ATOM 0 HA TYR A 6 -2.158 7.162 -2.376 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -0.871 8.789 -3.860 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -1.603 7.958 -5.218 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -3.116 8.829 -1.880 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -3.102 9.541 -6.126 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -5.074 10.324 -1.626 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -5.101 10.995 -5.889 1.00 0.00 H new ATOM 0 HH TYR A 6 -6.579 11.910 -4.458 1.00 0.00 H new ATOM 119 N VAL A 7 -3.422 5.157 -3.059 1.00 0.00 N ATOM 120 CA VAL A 7 -4.295 4.027 -3.362 1.00 0.00 C ATOM 121 C VAL A 7 -5.751 4.487 -3.130 1.00 0.00 C ATOM 122 O VAL A 7 -6.291 4.277 -2.038 1.00 0.00 O ATOM 123 CB VAL A 7 -3.868 2.803 -2.514 1.00 0.00 C ATOM 124 CG1 VAL A 7 -4.630 1.504 -2.844 1.00 0.00 C ATOM 125 CG2 VAL A 7 -2.360 2.524 -2.628 1.00 0.00 C ATOM 0 H VAL A 7 -3.446 5.413 -2.072 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.216 3.704 -4.400 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.125 3.088 -1.494 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.269 0.698 -2.205 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.696 1.654 -2.672 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -4.464 1.240 -3.889 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.103 1.658 -2.018 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.105 2.324 -3.669 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.802 3.392 -2.278 1.00 0.00 H new ATOM 135 N PRO A 8 -6.407 5.133 -4.116 1.00 0.00 N ATOM 136 CA PRO A 8 -7.794 5.597 -4.003 1.00 0.00 C ATOM 137 C PRO A 8 -8.797 4.482 -3.683 1.00 0.00 C ATOM 138 O PRO A 8 -9.860 4.763 -3.127 1.00 0.00 O ATOM 139 CB PRO A 8 -8.114 6.307 -5.323 1.00 0.00 C ATOM 140 CG PRO A 8 -7.091 5.729 -6.295 1.00 0.00 C ATOM 141 CD PRO A 8 -5.870 5.517 -5.413 1.00 0.00 C ATOM 0 HA PRO A 8 -7.890 6.273 -3.153 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.135 6.107 -5.649 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.014 7.389 -5.231 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.437 4.795 -6.738 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.882 6.414 -7.117 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.221 4.741 -5.817 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -5.273 6.426 -5.340 1.00 0.00 H new ATOM 149 N ASP A 9 -8.456 3.223 -3.968 1.00 0.00 N ATOM 150 CA ASP A 9 -9.328 2.064 -3.760 1.00 0.00 C ATOM 151 C ASP A 9 -9.649 1.825 -2.289 1.00 0.00 C ATOM 152 O ASP A 9 -10.578 1.085 -1.969 1.00 0.00 O ATOM 153 CB ASP A 9 -8.685 0.802 -4.358 1.00 0.00 C ATOM 154 CG ASP A 9 -8.915 0.735 -5.862 1.00 0.00 C ATOM 155 OD1 ASP A 9 -10.046 0.361 -6.246 1.00 0.00 O ATOM 156 OD2 ASP A 9 -7.977 1.113 -6.604 1.00 0.00 O ATOM 0 H ASP A 9 -7.547 2.975 -4.358 1.00 0.00 H new ATOM 0 HA ASP A 9 -10.267 2.282 -4.268 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.615 0.800 -4.149 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -9.104 -0.085 -3.882 1.00 0.00 H new ATOM 161 N ILE A 10 -8.920 2.447 -1.357 1.00 0.00 N ATOM 162 CA ILE A 10 -9.115 2.227 0.073 1.00 0.00 C ATOM 163 C ILE A 10 -10.434 2.882 0.556 1.00 0.00 C ATOM 164 O ILE A 10 -10.744 2.809 1.739 1.00 0.00 O ATOM 165 CB ILE A 10 -7.879 2.685 0.889 1.00 0.00 C ATOM 166 CG1 ILE A 10 -6.591 2.050 0.341 1.00 0.00 C ATOM 167 CG2 ILE A 10 -7.937 2.220 2.368 1.00 0.00 C ATOM 168 CD1 ILE A 10 -5.333 2.784 0.796 1.00 0.00 C ATOM 0 H ILE A 10 -8.181 3.115 -1.576 1.00 0.00 H new ATOM 0 HA ILE A 10 -9.213 1.156 0.248 1.00 0.00 H new ATOM 0 HB ILE A 10 -7.883 3.772 0.813 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -6.537 1.010 0.664 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -6.629 2.043 -0.748 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -7.048 2.567 2.894 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -8.825 2.634 2.845 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -7.979 1.131 2.406 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -4.454 2.292 0.379 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -5.369 3.817 0.450 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -5.276 2.768 1.884 1.00 0.00 H new ATOM 180 N SER A 11 -11.239 3.507 -0.310 1.00 0.00 N ATOM 181 CA SER A 11 -12.446 4.247 0.055 1.00 0.00 C ATOM 182 C SER A 11 -13.501 3.416 0.819 1.00 0.00 C ATOM 183 O SER A 11 -14.443 4.010 1.342 1.00 0.00 O ATOM 184 CB SER A 11 -13.035 4.917 -1.205 1.00 0.00 C ATOM 185 OG SER A 11 -13.029 6.335 -1.083 1.00 0.00 O ATOM 0 H SER A 11 -11.061 3.510 -1.314 1.00 0.00 H new ATOM 0 HA SER A 11 -12.147 5.012 0.771 1.00 0.00 H new ATOM 0 HB2 SER A 11 -12.457 4.622 -2.081 1.00 0.00 H new ATOM 0 HB3 SER A 11 -14.055 4.567 -1.363 1.00 0.00 H new ATOM 0 HG SER A 11 -13.405 6.735 -1.895 1.00 0.00 H new ATOM 191 N CYS A 12 -13.363 2.090 0.957 1.00 0.00 N ATOM 192 CA CYS A 12 -14.121 1.301 1.933 1.00 0.00 C ATOM 193 C CYS A 12 -13.194 0.627 2.951 1.00 0.00 C ATOM 194 O CYS A 12 -12.047 0.289 2.665 1.00 0.00 O ATOM 195 CB CYS A 12 -14.998 0.266 1.213 1.00 0.00 C ATOM 196 SG CYS A 12 -16.638 0.968 0.886 1.00 0.00 S ATOM 0 H CYS A 12 -12.720 1.535 0.392 1.00 0.00 H new ATOM 0 HA CYS A 12 -14.770 1.979 2.487 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -14.528 -0.034 0.276 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -15.092 -0.632 1.824 1.00 0.00 H new ATOM 0 HG CYS A 12 -17.373 0.087 0.275 1.00 0.00 H new ATOM 202 N ASN A 13 -13.720 0.334 4.142 1.00 0.00 N ATOM 203 CA ASN A 13 -12.959 -0.262 5.241 1.00 0.00 C ATOM 204 C ASN A 13 -12.484 -1.671 4.895 1.00 0.00 C ATOM 205 O ASN A 13 -11.426 -2.090 5.365 1.00 0.00 O ATOM 206 CB ASN A 13 -13.798 -0.353 6.522 1.00 0.00 C ATOM 207 CG ASN A 13 -14.392 0.966 6.979 1.00 0.00 C ATOM 208 OD1 ASN A 13 -15.602 1.147 6.930 1.00 0.00 O ATOM 209 ND2 ASN A 13 -13.593 1.893 7.476 1.00 0.00 N ATOM 0 H ASN A 13 -14.698 0.506 4.373 1.00 0.00 H new ATOM 0 HA ASN A 13 -12.101 0.391 5.403 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -14.607 -1.065 6.362 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -13.175 -0.753 7.322 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -13.983 2.769 7.823 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -12.586 1.733 7.512 1.00 0.00 H new ATOM 216 N HIS A 14 -13.241 -2.402 4.069 1.00 0.00 N ATOM 217 CA HIS A 14 -12.809 -3.696 3.549 1.00 0.00 C ATOM 218 C HIS A 14 -11.525 -3.540 2.740 1.00 0.00 C ATOM 219 O HIS A 14 -10.619 -4.365 2.831 1.00 0.00 O ATOM 220 CB HIS A 14 -13.906 -4.321 2.676 1.00 0.00 C ATOM 221 CG HIS A 14 -13.482 -5.661 2.129 1.00 0.00 C ATOM 222 ND1 HIS A 14 -13.143 -5.951 0.825 1.00 0.00 N ATOM 223 CD2 HIS A 14 -13.249 -6.782 2.877 1.00 0.00 C ATOM 224 CE1 HIS A 14 -12.727 -7.227 0.788 1.00 0.00 C ATOM 225 NE2 HIS A 14 -12.793 -7.787 2.014 1.00 0.00 N ATOM 0 H HIS A 14 -14.164 -2.112 3.746 1.00 0.00 H new ATOM 0 HA HIS A 14 -12.617 -4.357 4.394 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -14.817 -4.438 3.263 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -14.143 -3.649 1.851 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -13.391 -6.876 3.943 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -12.386 -7.736 -0.102 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -12.558 -8.748 2.262 1.00 0.00 H new ATOM 233 N CYS A 15 -11.432 -2.465 1.964 1.00 0.00 N ATOM 234 CA CYS A 15 -10.314 -2.234 1.084 1.00 0.00 C ATOM 235 C CYS A 15 -9.016 -2.066 1.874 1.00 0.00 C ATOM 236 O CYS A 15 -7.994 -2.599 1.453 1.00 0.00 O ATOM 237 CB CYS A 15 -10.629 -1.033 0.196 1.00 0.00 C ATOM 238 SG CYS A 15 -12.218 -1.247 -0.659 1.00 0.00 S ATOM 0 H CYS A 15 -12.139 -1.731 1.935 1.00 0.00 H new ATOM 0 HA CYS A 15 -10.158 -3.101 0.442 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -10.658 -0.127 0.802 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -9.833 -0.901 -0.537 1.00 0.00 H new ATOM 0 HG CYS A 15 -12.322 -0.365 -1.609 1.00 0.00 H new ATOM 244 N LYS A 16 -9.034 -1.422 3.052 1.00 0.00 N ATOM 245 CA LYS A 16 -7.847 -1.333 3.919 1.00 0.00 C ATOM 246 C LYS A 16 -7.258 -2.723 4.204 1.00 0.00 C ATOM 247 O LYS A 16 -6.032 -2.893 4.181 1.00 0.00 O ATOM 248 CB LYS A 16 -8.171 -0.529 5.201 1.00 0.00 C ATOM 249 CG LYS A 16 -7.068 -0.633 6.274 1.00 0.00 C ATOM 250 CD LYS A 16 -7.093 0.490 7.324 1.00 0.00 C ATOM 251 CE LYS A 16 -5.958 0.231 8.330 1.00 0.00 C ATOM 252 NZ LYS A 16 -5.755 1.328 9.303 1.00 0.00 N ATOM 0 H LYS A 16 -9.859 -0.954 3.427 1.00 0.00 H new ATOM 0 HA LYS A 16 -7.066 -0.783 3.394 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -8.317 0.519 4.939 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -9.112 -0.887 5.619 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.163 -1.592 6.783 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.096 -0.630 5.780 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -6.963 1.461 6.846 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.056 0.512 7.834 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.171 -0.689 8.874 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.030 0.069 7.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.180 0.984 10.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.265 2.118 8.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -6.677 1.653 9.657 1.00 0.00 H new ATOM 266 N MET A 17 -8.105 -3.732 4.396 1.00 0.00 N ATOM 267 CA MET A 17 -7.662 -5.102 4.597 1.00 0.00 C ATOM 268 C MET A 17 -6.951 -5.649 3.360 1.00 0.00 C ATOM 269 O MET A 17 -5.938 -6.323 3.523 1.00 0.00 O ATOM 270 CB MET A 17 -8.848 -6.010 4.963 1.00 0.00 C ATOM 271 CG MET A 17 -8.786 -6.564 6.394 1.00 0.00 C ATOM 272 SD MET A 17 -8.745 -8.372 6.480 1.00 0.00 S ATOM 273 CE MET A 17 -10.379 -8.731 5.780 1.00 0.00 C ATOM 0 H MET A 17 -9.118 -3.618 4.416 1.00 0.00 H new ATOM 0 HA MET A 17 -6.951 -5.095 5.423 1.00 0.00 H new ATOM 0 HB2 MET A 17 -9.774 -5.449 4.840 1.00 0.00 H new ATOM 0 HB3 MET A 17 -8.885 -6.844 4.262 1.00 0.00 H new ATOM 0 HG2 MET A 17 -7.900 -6.166 6.889 1.00 0.00 H new ATOM 0 HG3 MET A 17 -9.651 -6.203 6.951 1.00 0.00 H new ATOM 0 HE1 MET A 17 -10.670 -9.749 6.038 1.00 0.00 H new ATOM 0 HE2 MET A 17 -11.110 -8.031 6.185 1.00 0.00 H new ATOM 0 HE3 MET A 17 -10.341 -8.629 4.695 1.00 0.00 H new ATOM 283 N ARG A 18 -7.426 -5.377 2.134 1.00 0.00 N ATOM 284 CA ARG A 18 -6.884 -6.022 0.937 1.00 0.00 C ATOM 285 C ARG A 18 -5.399 -5.730 0.787 1.00 0.00 C ATOM 286 O ARG A 18 -4.635 -6.650 0.493 1.00 0.00 O ATOM 287 CB ARG A 18 -7.649 -5.597 -0.327 1.00 0.00 C ATOM 288 CG ARG A 18 -9.054 -6.216 -0.416 1.00 0.00 C ATOM 289 CD ARG A 18 -9.312 -6.724 -1.840 1.00 0.00 C ATOM 290 NE ARG A 18 -10.546 -7.512 -1.990 1.00 0.00 N ATOM 291 CZ ARG A 18 -10.622 -8.831 -2.211 1.00 0.00 C ATOM 292 NH1 ARG A 18 -9.579 -9.633 -2.022 1.00 0.00 N ATOM 293 NH2 ARG A 18 -11.759 -9.386 -2.616 1.00 0.00 N ATOM 0 H ARG A 18 -8.181 -4.717 1.950 1.00 0.00 H new ATOM 0 HA ARG A 18 -7.012 -7.098 1.059 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.735 -4.511 -0.345 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.074 -5.886 -1.207 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.144 -7.038 0.294 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -9.805 -5.475 -0.143 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -9.357 -5.869 -2.515 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -8.465 -7.334 -2.154 1.00 0.00 H new ATOM 0 HE ARG A 18 -11.428 -7.005 -1.919 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -8.691 -9.248 -1.700 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -9.667 -10.634 -2.199 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -12.586 -8.807 -2.762 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -11.805 -10.391 -2.781 1.00 0.00 H new ATOM 307 N ILE A 19 -4.999 -4.478 1.024 1.00 0.00 N ATOM 308 CA ILE A 19 -3.602 -4.069 1.052 1.00 0.00 C ATOM 309 C ILE A 19 -2.899 -4.874 2.141 1.00 0.00 C ATOM 310 O ILE A 19 -2.063 -5.717 1.829 1.00 0.00 O ATOM 311 CB ILE A 19 -3.473 -2.540 1.241 1.00 0.00 C ATOM 312 CG1 ILE A 19 -4.048 -1.791 0.022 1.00 0.00 C ATOM 313 CG2 ILE A 19 -2.008 -2.115 1.424 1.00 0.00 C ATOM 314 CD1 ILE A 19 -5.516 -1.435 0.176 1.00 0.00 C ATOM 0 H ILE A 19 -5.649 -3.713 1.204 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.117 -4.280 0.099 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.035 -2.284 2.139 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -3.474 -0.878 -0.139 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.922 -2.408 -0.868 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.956 -1.034 1.554 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.594 -2.607 2.304 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.433 -2.402 0.544 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -5.859 -0.910 -0.716 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -6.100 -2.346 0.307 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.645 -0.793 1.047 1.00 0.00 H new ATOM 326 N SER A 20 -3.231 -4.632 3.410 1.00 0.00 N ATOM 327 CA SER A 20 -2.502 -5.164 4.543 1.00 0.00 C ATOM 328 C SER A 20 -2.340 -6.681 4.470 1.00 0.00 C ATOM 329 O SER A 20 -1.237 -7.193 4.625 1.00 0.00 O ATOM 330 CB SER A 20 -3.218 -4.792 5.835 1.00 0.00 C ATOM 331 OG SER A 20 -3.857 -3.514 5.796 1.00 0.00 O ATOM 0 H SER A 20 -4.027 -4.051 3.675 1.00 0.00 H new ATOM 0 HA SER A 20 -1.505 -4.725 4.522 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.965 -5.554 6.057 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.498 -4.803 6.654 1.00 0.00 H new ATOM 0 HG SER A 20 -4.687 -3.579 5.278 1.00 0.00 H new ATOM 337 N LYS A 21 -3.420 -7.405 4.169 1.00 0.00 N ATOM 338 CA LYS A 21 -3.416 -8.860 4.140 1.00 0.00 C ATOM 339 C LYS A 21 -2.584 -9.412 2.968 1.00 0.00 C ATOM 340 O LYS A 21 -2.361 -10.615 2.872 1.00 0.00 O ATOM 341 CB LYS A 21 -4.871 -9.355 4.105 1.00 0.00 C ATOM 342 CG LYS A 21 -5.030 -10.766 4.698 1.00 0.00 C ATOM 343 CD LYS A 21 -6.505 -11.171 4.854 1.00 0.00 C ATOM 344 CE LYS A 21 -7.209 -11.456 3.522 1.00 0.00 C ATOM 345 NZ LYS A 21 -6.694 -12.685 2.881 1.00 0.00 N ATOM 0 H LYS A 21 -4.324 -6.992 3.938 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.933 -9.237 5.042 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.501 -8.659 4.659 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -5.226 -9.356 3.074 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.524 -11.487 4.056 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.540 -10.806 5.671 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.564 -12.059 5.484 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.038 -10.375 5.374 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.281 -11.556 3.692 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -7.071 -10.610 2.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -7.283 -12.919 2.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -5.712 -12.531 2.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -6.724 -13.471 3.562 1.00 0.00 H new ATOM 359 N ALA A 22 -2.171 -8.560 2.024 1.00 0.00 N ATOM 360 CA ALA A 22 -1.142 -8.853 1.031 1.00 0.00 C ATOM 361 C ALA A 22 0.239 -8.487 1.574 1.00 0.00 C ATOM 362 O ALA A 22 1.187 -9.242 1.376 1.00 0.00 O ATOM 363 CB ALA A 22 -1.406 -8.058 -0.258 1.00 0.00 C ATOM 0 H ALA A 22 -2.557 -7.621 1.930 1.00 0.00 H new ATOM 0 HA ALA A 22 -1.172 -9.920 0.811 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.632 -8.285 -0.991 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.380 -8.333 -0.662 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.394 -6.991 -0.036 1.00 0.00 H new ATOM 369 N LEU A 23 0.369 -7.318 2.213 1.00 0.00 N ATOM 370 CA LEU A 23 1.635 -6.762 2.686 1.00 0.00 C ATOM 371 C LEU A 23 2.284 -7.676 3.709 1.00 0.00 C ATOM 372 O LEU A 23 3.483 -7.922 3.629 1.00 0.00 O ATOM 373 CB LEU A 23 1.436 -5.364 3.300 1.00 0.00 C ATOM 374 CG LEU A 23 1.044 -4.259 2.308 1.00 0.00 C ATOM 375 CD1 LEU A 23 1.097 -2.906 3.022 1.00 0.00 C ATOM 376 CD2 LEU A 23 1.941 -4.224 1.067 1.00 0.00 C ATOM 0 H LEU A 23 -0.430 -6.718 2.419 1.00 0.00 H new ATOM 0 HA LEU A 23 2.291 -6.676 1.820 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.665 -5.429 4.068 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.359 -5.070 3.799 1.00 0.00 H new ATOM 0 HG LEU A 23 0.034 -4.475 1.960 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.820 -2.115 2.325 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.401 -2.910 3.861 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.108 -2.728 3.389 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.614 -3.423 0.404 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.973 -4.047 1.369 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.875 -5.178 0.543 1.00 0.00 H new ATOM 388 N GLU A 24 1.499 -8.183 4.654 1.00 0.00 N ATOM 389 CA GLU A 24 1.972 -9.060 5.716 1.00 0.00 C ATOM 390 C GLU A 24 2.648 -10.294 5.110 1.00 0.00 C ATOM 391 O GLU A 24 3.727 -10.692 5.544 1.00 0.00 O ATOM 392 CB GLU A 24 0.781 -9.444 6.610 1.00 0.00 C ATOM 393 CG GLU A 24 0.207 -8.237 7.374 1.00 0.00 C ATOM 394 CD GLU A 24 1.004 -7.828 8.613 1.00 0.00 C ATOM 395 OE1 GLU A 24 2.220 -8.101 8.703 1.00 0.00 O ATOM 396 OE2 GLU A 24 0.404 -7.134 9.471 1.00 0.00 O ATOM 0 H GLU A 24 0.498 -7.992 4.703 1.00 0.00 H new ATOM 0 HA GLU A 24 2.714 -8.549 6.329 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -0.003 -9.888 5.996 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.096 -10.205 7.323 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.155 -7.386 6.695 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.815 -8.468 7.676 1.00 0.00 H new ATOM 403 N GLU A 25 2.052 -10.874 4.065 1.00 0.00 N ATOM 404 CA GLU A 25 2.597 -12.036 3.371 1.00 0.00 C ATOM 405 C GLU A 25 3.791 -11.661 2.479 1.00 0.00 C ATOM 406 O GLU A 25 4.594 -12.525 2.132 1.00 0.00 O ATOM 407 CB GLU A 25 1.506 -12.715 2.528 1.00 0.00 C ATOM 408 CG GLU A 25 0.258 -13.102 3.344 1.00 0.00 C ATOM 409 CD GLU A 25 -0.708 -14.048 2.617 1.00 0.00 C ATOM 410 OE1 GLU A 25 -0.390 -14.554 1.511 1.00 0.00 O ATOM 411 OE2 GLU A 25 -1.792 -14.346 3.165 1.00 0.00 O ATOM 0 H GLU A 25 1.169 -10.544 3.676 1.00 0.00 H new ATOM 0 HA GLU A 25 2.953 -12.732 4.130 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.210 -12.045 1.721 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.920 -13.610 2.064 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.578 -13.574 4.273 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.279 -12.193 3.616 1.00 0.00 H new ATOM 418 N LEU A 26 3.924 -10.386 2.108 1.00 0.00 N ATOM 419 CA LEU A 26 4.985 -9.824 1.263 1.00 0.00 C ATOM 420 C LEU A 26 6.335 -9.770 1.989 1.00 0.00 C ATOM 421 O LEU A 26 7.352 -9.475 1.372 1.00 0.00 O ATOM 422 CB LEU A 26 4.568 -8.405 0.819 1.00 0.00 C ATOM 423 CG LEU A 26 4.823 -8.065 -0.662 1.00 0.00 C ATOM 424 CD1 LEU A 26 4.113 -6.746 -0.979 1.00 0.00 C ATOM 425 CD2 LEU A 26 6.288 -7.916 -1.075 1.00 0.00 C ATOM 0 H LEU A 26 3.256 -9.675 2.406 1.00 0.00 H new ATOM 0 HA LEU A 26 5.113 -10.474 0.397 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.505 -8.278 1.024 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.100 -7.681 1.436 1.00 0.00 H new ATOM 0 HG LEU A 26 4.443 -8.919 -1.222 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.280 -6.485 -2.024 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.044 -6.856 -0.799 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.509 -5.957 -0.340 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.344 -7.677 -2.137 1.00 0.00 H new ATOM 0 HD22 LEU A 26 6.749 -7.114 -0.498 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.816 -8.850 -0.885 1.00 0.00 H new ATOM 437 N GLY A 27 6.368 -10.035 3.298 1.00 0.00 N ATOM 438 CA GLY A 27 7.605 -9.965 4.063 1.00 0.00 C ATOM 439 C GLY A 27 7.964 -8.526 4.434 1.00 0.00 C ATOM 440 O GLY A 27 9.145 -8.198 4.565 1.00 0.00 O ATOM 0 H GLY A 27 5.549 -10.300 3.846 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.505 -10.560 4.971 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.416 -10.404 3.482 1.00 0.00 H new ATOM 444 N VAL A 28 6.954 -7.661 4.560 1.00 0.00 N ATOM 445 CA VAL A 28 7.066 -6.323 5.130 1.00 0.00 C ATOM 446 C VAL A 28 7.374 -6.422 6.633 1.00 0.00 C ATOM 447 O VAL A 28 7.148 -7.471 7.246 1.00 0.00 O ATOM 448 CB VAL A 28 5.743 -5.575 4.848 1.00 0.00 C ATOM 449 CG1 VAL A 28 4.607 -6.042 5.771 1.00 0.00 C ATOM 450 CG2 VAL A 28 5.875 -4.049 4.921 1.00 0.00 C ATOM 0 H VAL A 28 6.006 -7.884 4.257 1.00 0.00 H new ATOM 0 HA VAL A 28 7.886 -5.766 4.677 1.00 0.00 H new ATOM 0 HB VAL A 28 5.492 -5.832 3.819 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.697 -5.489 5.537 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.432 -7.108 5.623 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.884 -5.861 6.809 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.909 -3.590 4.713 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.207 -3.760 5.918 1.00 0.00 H new ATOM 0 HG23 VAL A 28 6.604 -3.711 4.184 1.00 0.00 H new ATOM 460 N LYS A 29 7.796 -5.314 7.252 1.00 0.00 N ATOM 461 CA LYS A 29 7.736 -5.151 8.703 1.00 0.00 C ATOM 462 C LYS A 29 7.121 -3.834 9.167 1.00 0.00 C ATOM 463 O LYS A 29 6.761 -3.747 10.338 1.00 0.00 O ATOM 464 CB LYS A 29 9.156 -5.288 9.283 1.00 0.00 C ATOM 465 CG LYS A 29 9.539 -6.703 9.734 1.00 0.00 C ATOM 466 CD LYS A 29 9.020 -7.047 11.138 1.00 0.00 C ATOM 467 CE LYS A 29 7.534 -7.414 11.133 1.00 0.00 C ATOM 468 NZ LYS A 29 7.129 -8.051 12.398 1.00 0.00 N ATOM 0 H LYS A 29 8.187 -4.510 6.761 1.00 0.00 H new ATOM 0 HA LYS A 29 7.074 -5.934 9.072 1.00 0.00 H new ATOM 0 HB2 LYS A 29 9.873 -4.956 8.532 1.00 0.00 H new ATOM 0 HB3 LYS A 29 9.251 -4.614 10.134 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.144 -7.425 9.020 1.00 0.00 H new ATOM 0 HG3 LYS A 29 10.624 -6.802 9.720 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.596 -7.879 11.542 1.00 0.00 H new ATOM 0 HD3 LYS A 29 9.180 -6.197 11.801 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.937 -6.517 10.969 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.328 -8.089 10.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.117 -8.286 12.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.681 -8.920 12.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.303 -7.397 13.187 1.00 0.00 H new ATOM 482 N ASN A 30 6.990 -2.821 8.310 1.00 0.00 N ATOM 483 CA ASN A 30 6.486 -1.515 8.704 1.00 0.00 C ATOM 484 C ASN A 30 5.675 -0.992 7.547 1.00 0.00 C ATOM 485 O ASN A 30 6.187 -0.923 6.426 1.00 0.00 O ATOM 486 CB ASN A 30 7.616 -0.543 9.057 1.00 0.00 C ATOM 487 CG ASN A 30 7.795 -0.456 10.553 1.00 0.00 C ATOM 488 OD1 ASN A 30 6.873 -0.099 11.279 1.00 0.00 O ATOM 489 ND2 ASN A 30 8.951 -0.856 11.045 1.00 0.00 N ATOM 0 H ASN A 30 7.232 -2.888 7.322 1.00 0.00 H new ATOM 0 HA ASN A 30 5.878 -1.608 9.604 1.00 0.00 H new ATOM 0 HB2 ASN A 30 8.545 -0.873 8.593 1.00 0.00 H new ATOM 0 HB3 ASN A 30 7.392 0.445 8.654 1.00 0.00 H new ATOM 0 HD21 ASN A 30 9.097 -0.874 12.054 1.00 0.00 H new ATOM 0 HD22 ASN A 30 9.700 -1.147 10.416 1.00 0.00 H new ATOM 496 N TYR A 31 4.405 -0.702 7.801 1.00 0.00 N ATOM 497 CA TYR A 31 3.501 -0.131 6.830 1.00 0.00 C ATOM 498 C TYR A 31 2.369 0.612 7.555 1.00 0.00 C ATOM 499 O TYR A 31 2.215 0.521 8.778 1.00 0.00 O ATOM 500 CB TYR A 31 3.014 -1.248 5.898 1.00 0.00 C ATOM 501 CG TYR A 31 2.090 -2.270 6.527 1.00 0.00 C ATOM 502 CD1 TYR A 31 2.617 -3.396 7.185 1.00 0.00 C ATOM 503 CD2 TYR A 31 0.699 -2.068 6.480 1.00 0.00 C ATOM 504 CE1 TYR A 31 1.766 -4.309 7.831 1.00 0.00 C ATOM 505 CE2 TYR A 31 -0.162 -2.973 7.115 1.00 0.00 C ATOM 506 CZ TYR A 31 0.370 -4.081 7.811 1.00 0.00 C ATOM 507 OH TYR A 31 -0.490 -4.878 8.492 1.00 0.00 O ATOM 0 H TYR A 31 3.972 -0.864 8.710 1.00 0.00 H new ATOM 0 HA TYR A 31 3.999 0.612 6.207 1.00 0.00 H new ATOM 0 HB2 TYR A 31 2.500 -0.792 5.052 1.00 0.00 H new ATOM 0 HB3 TYR A 31 3.884 -1.769 5.499 1.00 0.00 H new ATOM 0 HD1 TYR A 31 3.684 -3.560 7.194 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.294 -1.216 5.955 1.00 0.00 H new ATOM 0 HE1 TYR A 31 2.172 -5.173 8.336 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -1.231 -2.824 7.072 1.00 0.00 H new ATOM 0 HH TYR A 31 0.015 -5.477 9.080 1.00 0.00 H new ATOM 517 N GLU A 32 1.561 1.353 6.800 1.00 0.00 N ATOM 518 CA GLU A 32 0.323 1.989 7.261 1.00 0.00 C ATOM 519 C GLU A 32 -0.677 2.025 6.105 1.00 0.00 C ATOM 520 O GLU A 32 -0.266 2.023 4.949 1.00 0.00 O ATOM 521 CB GLU A 32 0.566 3.433 7.733 1.00 0.00 C ATOM 522 CG GLU A 32 1.130 3.574 9.155 1.00 0.00 C ATOM 523 CD GLU A 32 0.598 4.866 9.779 1.00 0.00 C ATOM 524 OE1 GLU A 32 1.018 5.966 9.345 1.00 0.00 O ATOM 525 OE2 GLU A 32 -0.374 4.795 10.566 1.00 0.00 O ATOM 0 H GLU A 32 1.755 1.535 5.815 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.060 1.408 8.100 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.254 3.914 7.038 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.376 3.979 7.678 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.839 2.716 9.761 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.220 3.591 9.127 1.00 0.00 H new ATOM 532 N VAL A 33 -1.979 2.115 6.396 1.00 0.00 N ATOM 533 CA VAL A 33 -3.069 2.244 5.431 1.00 0.00 C ATOM 534 C VAL A 33 -4.165 3.094 6.089 1.00 0.00 C ATOM 535 O VAL A 33 -4.514 2.821 7.237 1.00 0.00 O ATOM 536 CB VAL A 33 -3.625 0.844 5.078 1.00 0.00 C ATOM 537 CG1 VAL A 33 -4.739 0.967 4.029 1.00 0.00 C ATOM 538 CG2 VAL A 33 -2.577 -0.157 4.565 1.00 0.00 C ATOM 0 H VAL A 33 -2.315 2.099 7.359 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.719 2.713 4.512 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.002 0.445 6.020 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.123 -0.024 3.788 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.546 1.582 4.426 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.340 1.431 3.127 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.060 -1.109 4.344 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.114 0.234 3.659 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.813 -0.307 5.328 1.00 0.00 H new ATOM 548 N SER A 34 -4.767 4.060 5.383 1.00 0.00 N ATOM 549 CA SER A 34 -5.842 4.891 5.929 1.00 0.00 C ATOM 550 C SER A 34 -6.942 5.109 4.888 1.00 0.00 C ATOM 551 O SER A 34 -6.657 5.429 3.732 1.00 0.00 O ATOM 552 CB SER A 34 -5.243 6.219 6.393 1.00 0.00 C ATOM 553 OG SER A 34 -6.208 7.079 6.977 1.00 0.00 O ATOM 0 H SER A 34 -4.521 4.285 4.419 1.00 0.00 H new ATOM 0 HA SER A 34 -6.303 4.388 6.779 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.451 6.023 7.116 1.00 0.00 H new ATOM 0 HB3 SER A 34 -4.781 6.721 5.543 1.00 0.00 H new ATOM 0 HG SER A 34 -5.776 7.912 7.258 1.00 0.00 H new ATOM 559 N VAL A 35 -8.194 4.933 5.320 1.00 0.00 N ATOM 560 CA VAL A 35 -9.404 5.074 4.509 1.00 0.00 C ATOM 561 C VAL A 35 -9.696 6.529 4.146 1.00 0.00 C ATOM 562 O VAL A 35 -9.992 6.812 2.986 1.00 0.00 O ATOM 563 CB VAL A 35 -10.601 4.409 5.239 1.00 0.00 C ATOM 564 CG1 VAL A 35 -11.943 4.544 4.501 1.00 0.00 C ATOM 565 CG2 VAL A 35 -10.353 2.912 5.498 1.00 0.00 C ATOM 0 H VAL A 35 -8.399 4.677 6.286 1.00 0.00 H new ATOM 0 HA VAL A 35 -9.241 4.560 3.562 1.00 0.00 H new ATOM 0 HB VAL A 35 -10.673 4.957 6.179 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -12.727 4.053 5.078 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -12.188 5.599 4.382 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -11.867 4.076 3.520 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -11.214 2.484 6.011 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -10.204 2.398 4.548 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.465 2.792 6.119 1.00 0.00 H new ATOM 575 N GLU A 36 -9.605 7.459 5.100 1.00 0.00 N ATOM 576 CA GLU A 36 -9.805 8.880 4.810 1.00 0.00 C ATOM 577 C GLU A 36 -8.756 9.340 3.807 1.00 0.00 C ATOM 578 O GLU A 36 -9.059 9.975 2.795 1.00 0.00 O ATOM 579 CB GLU A 36 -9.709 9.706 6.096 1.00 0.00 C ATOM 580 CG GLU A 36 -11.014 9.691 6.901 1.00 0.00 C ATOM 581 CD GLU A 36 -12.035 10.733 6.429 1.00 0.00 C ATOM 582 OE1 GLU A 36 -12.189 10.955 5.207 1.00 0.00 O ATOM 583 OE2 GLU A 36 -12.784 11.283 7.273 1.00 0.00 O ATOM 0 H GLU A 36 -9.395 7.254 6.077 1.00 0.00 H new ATOM 0 HA GLU A 36 -10.799 9.024 4.386 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.900 9.317 6.714 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -9.452 10.735 5.845 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.461 8.699 6.834 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -10.786 9.868 7.952 1.00 0.00 H new ATOM 590 N GLU A 37 -7.501 9.003 4.090 1.00 0.00 N ATOM 591 CA GLU A 37 -6.374 9.566 3.372 1.00 0.00 C ATOM 592 C GLU A 37 -6.135 8.873 2.032 1.00 0.00 C ATOM 593 O GLU A 37 -5.395 9.417 1.210 1.00 0.00 O ATOM 594 CB GLU A 37 -5.111 9.421 4.217 1.00 0.00 C ATOM 595 CG GLU A 37 -5.084 10.258 5.501 1.00 0.00 C ATOM 596 CD GLU A 37 -4.805 11.742 5.250 1.00 0.00 C ATOM 597 OE1 GLU A 37 -4.046 12.069 4.310 1.00 0.00 O ATOM 598 OE2 GLU A 37 -5.284 12.573 6.053 1.00 0.00 O ATOM 0 H GLU A 37 -7.243 8.337 4.818 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.605 10.614 3.180 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -4.991 8.371 4.484 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -4.251 9.695 3.606 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -6.041 10.157 6.013 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -4.321 9.860 6.170 1.00 0.00 H new ATOM 605 N LYS A 38 -6.717 7.686 1.805 1.00 0.00 N ATOM 606 CA LYS A 38 -6.474 6.855 0.621 1.00 0.00 C ATOM 607 C LYS A 38 -4.977 6.708 0.337 1.00 0.00 C ATOM 608 O LYS A 38 -4.513 6.729 -0.805 1.00 0.00 O ATOM 609 CB LYS A 38 -7.282 7.406 -0.558 1.00 0.00 C ATOM 610 CG LYS A 38 -8.785 7.185 -0.335 1.00 0.00 C ATOM 611 CD LYS A 38 -9.623 7.985 -1.336 1.00 0.00 C ATOM 612 CE LYS A 38 -10.610 8.933 -0.646 1.00 0.00 C ATOM 613 NZ LYS A 38 -9.961 10.040 0.098 1.00 0.00 N ATOM 0 H LYS A 38 -7.384 7.270 2.455 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.823 5.838 0.802 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -7.080 8.470 -0.679 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.970 6.916 -1.480 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.016 6.124 -0.431 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.051 7.479 0.681 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.960 8.562 -1.981 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -10.173 7.296 -1.978 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.278 9.356 -1.397 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.228 8.359 0.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.607 10.854 0.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.735 9.724 1.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.085 10.319 -0.389 1.00 0.00 H new ATOM 627 N LYS A 39 -4.196 6.579 1.407 1.00 0.00 N ATOM 628 CA LYS A 39 -2.749 6.510 1.350 1.00 0.00 C ATOM 629 C LYS A 39 -2.318 5.237 2.038 1.00 0.00 C ATOM 630 O LYS A 39 -2.954 4.764 2.989 1.00 0.00 O ATOM 631 CB LYS A 39 -2.113 7.751 2.002 1.00 0.00 C ATOM 632 CG LYS A 39 -1.508 8.723 0.976 1.00 0.00 C ATOM 633 CD LYS A 39 -0.921 9.980 1.640 1.00 0.00 C ATOM 634 CE LYS A 39 -1.980 10.992 2.102 1.00 0.00 C ATOM 635 NZ LYS A 39 -2.579 11.751 0.983 1.00 0.00 N ATOM 0 H LYS A 39 -4.566 6.519 2.356 1.00 0.00 H new ATOM 0 HA LYS A 39 -2.411 6.498 0.314 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.868 8.274 2.589 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.335 7.432 2.695 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.726 8.213 0.413 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.276 9.017 0.261 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.321 9.679 2.499 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -0.247 10.469 0.937 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.768 10.465 2.640 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -1.526 11.690 2.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.286 12.418 1.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.835 12.278 0.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -3.039 11.092 0.323 1.00 0.00 H new ATOM 649 N VAL A 40 -1.182 4.737 1.586 1.00 0.00 N ATOM 650 CA VAL A 40 -0.454 3.637 2.180 1.00 0.00 C ATOM 651 C VAL A 40 0.958 4.143 2.401 1.00 0.00 C ATOM 652 O VAL A 40 1.409 5.030 1.676 1.00 0.00 O ATOM 653 CB VAL A 40 -0.507 2.414 1.245 1.00 0.00 C ATOM 654 CG1 VAL A 40 0.273 1.201 1.755 1.00 0.00 C ATOM 655 CG2 VAL A 40 -1.961 1.988 1.058 1.00 0.00 C ATOM 0 H VAL A 40 -0.722 5.107 0.754 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.882 3.311 3.128 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.041 2.731 0.312 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.184 0.384 1.039 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.323 1.467 1.874 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.132 0.886 2.717 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.004 1.122 0.397 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.391 1.728 2.025 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.527 2.809 0.618 1.00 0.00 H new ATOM 665 N VAL A 41 1.656 3.555 3.362 1.00 0.00 N ATOM 666 CA VAL A 41 3.095 3.658 3.477 1.00 0.00 C ATOM 667 C VAL A 41 3.620 2.232 3.553 1.00 0.00 C ATOM 668 O VAL A 41 2.947 1.375 4.122 1.00 0.00 O ATOM 669 CB VAL A 41 3.504 4.492 4.706 1.00 0.00 C ATOM 670 CG1 VAL A 41 4.992 4.855 4.614 1.00 0.00 C ATOM 671 CG2 VAL A 41 2.690 5.786 4.834 1.00 0.00 C ATOM 0 H VAL A 41 1.228 2.986 4.092 1.00 0.00 H new ATOM 0 HA VAL A 41 3.523 4.179 2.620 1.00 0.00 H new ATOM 0 HB VAL A 41 3.307 3.880 5.586 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.277 5.445 5.485 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.588 3.943 4.583 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.170 5.436 3.709 1.00 0.00 H new ATOM 0 HG21 VAL A 41 3.018 6.336 5.716 1.00 0.00 H new ATOM 0 HG22 VAL A 41 2.841 6.400 3.946 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.632 5.542 4.931 1.00 0.00 H new ATOM 681 N VAL A 42 4.804 1.986 3.006 1.00 0.00 N ATOM 682 CA VAL A 42 5.585 0.780 3.219 1.00 0.00 C ATOM 683 C VAL A 42 7.023 1.203 3.488 1.00 0.00 C ATOM 684 O VAL A 42 7.541 2.082 2.798 1.00 0.00 O ATOM 685 CB VAL A 42 5.503 -0.160 1.998 1.00 0.00 C ATOM 686 CG1 VAL A 42 4.200 -0.970 2.045 1.00 0.00 C ATOM 687 CG2 VAL A 42 5.627 0.581 0.649 1.00 0.00 C ATOM 0 H VAL A 42 5.261 2.648 2.379 1.00 0.00 H new ATOM 0 HA VAL A 42 5.190 0.223 4.069 1.00 0.00 H new ATOM 0 HB VAL A 42 6.359 -0.832 2.060 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.151 -1.631 1.179 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.174 -1.565 2.958 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.348 -0.290 2.031 1.00 0.00 H new ATOM 0 HG21 VAL A 42 5.561 -0.137 -0.168 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.821 1.309 0.558 1.00 0.00 H new ATOM 0 HG23 VAL A 42 6.587 1.096 0.603 1.00 0.00 H new ATOM 697 N GLU A 43 7.661 0.554 4.457 1.00 0.00 N ATOM 698 CA GLU A 43 9.075 0.685 4.784 1.00 0.00 C ATOM 699 C GLU A 43 9.795 -0.580 4.283 1.00 0.00 C ATOM 700 O GLU A 43 9.912 -1.587 4.994 1.00 0.00 O ATOM 701 CB GLU A 43 9.213 0.927 6.295 1.00 0.00 C ATOM 702 CG GLU A 43 10.615 1.352 6.760 1.00 0.00 C ATOM 703 CD GLU A 43 10.659 1.903 8.200 1.00 0.00 C ATOM 704 OE1 GLU A 43 9.776 1.633 9.046 1.00 0.00 O ATOM 705 OE2 GLU A 43 11.595 2.673 8.515 1.00 0.00 O ATOM 0 H GLU A 43 7.181 -0.110 5.065 1.00 0.00 H new ATOM 0 HA GLU A 43 9.542 1.539 4.293 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.500 1.696 6.591 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.934 0.014 6.821 1.00 0.00 H new ATOM 0 HG2 GLU A 43 11.285 0.495 6.689 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.997 2.113 6.079 1.00 0.00 H new ATOM 712 N THR A 44 10.206 -0.578 3.014 1.00 0.00 N ATOM 713 CA THR A 44 10.938 -1.671 2.391 1.00 0.00 C ATOM 714 C THR A 44 11.986 -1.112 1.420 1.00 0.00 C ATOM 715 O THR A 44 11.925 0.052 1.013 1.00 0.00 O ATOM 716 CB THR A 44 9.908 -2.630 1.756 1.00 0.00 C ATOM 717 OG1 THR A 44 10.453 -3.928 1.623 1.00 0.00 O ATOM 718 CG2 THR A 44 9.370 -2.163 0.403 1.00 0.00 C ATOM 0 H THR A 44 10.033 0.203 2.381 1.00 0.00 H new ATOM 0 HA THR A 44 11.510 -2.252 3.115 1.00 0.00 H new ATOM 0 HB THR A 44 9.061 -2.640 2.442 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.786 -4.523 1.221 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.653 -2.892 0.025 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.878 -1.197 0.521 1.00 0.00 H new ATOM 0 HG23 THR A 44 10.195 -2.066 -0.303 1.00 0.00 H new ATOM 726 N GLU A 45 12.942 -1.951 1.019 1.00 0.00 N ATOM 727 CA GLU A 45 13.905 -1.628 -0.020 1.00 0.00 C ATOM 728 C GLU A 45 13.246 -1.736 -1.396 1.00 0.00 C ATOM 729 O GLU A 45 13.409 -0.845 -2.231 1.00 0.00 O ATOM 730 CB GLU A 45 15.118 -2.577 0.059 1.00 0.00 C ATOM 731 CG GLU A 45 16.428 -1.884 0.443 1.00 0.00 C ATOM 732 CD GLU A 45 16.553 -1.502 1.923 1.00 0.00 C ATOM 733 OE1 GLU A 45 15.771 -1.967 2.781 1.00 0.00 O ATOM 734 OE2 GLU A 45 17.475 -0.718 2.247 1.00 0.00 O ATOM 0 H GLU A 45 13.066 -2.883 1.415 1.00 0.00 H new ATOM 0 HA GLU A 45 14.251 -0.605 0.130 1.00 0.00 H new ATOM 0 HB2 GLU A 45 14.907 -3.360 0.787 1.00 0.00 H new ATOM 0 HB3 GLU A 45 15.247 -3.066 -0.907 1.00 0.00 H new ATOM 0 HG2 GLU A 45 17.258 -2.540 0.182 1.00 0.00 H new ATOM 0 HG3 GLU A 45 16.534 -0.982 -0.159 1.00 0.00 H new ATOM 741 N ASN A 46 12.552 -2.849 -1.675 1.00 0.00 N ATOM 742 CA ASN A 46 12.091 -3.146 -3.036 1.00 0.00 C ATOM 743 C ASN A 46 10.635 -2.749 -3.226 1.00 0.00 C ATOM 744 O ASN A 46 9.721 -3.574 -3.144 1.00 0.00 O ATOM 745 CB ASN A 46 12.370 -4.585 -3.483 1.00 0.00 C ATOM 746 CG ASN A 46 12.016 -4.818 -4.959 1.00 0.00 C ATOM 747 OD1 ASN A 46 11.761 -5.945 -5.362 1.00 0.00 O ATOM 748 ND2 ASN A 46 12.023 -3.814 -5.828 1.00 0.00 N ATOM 0 H ASN A 46 12.300 -3.553 -0.981 1.00 0.00 H new ATOM 0 HA ASN A 46 12.692 -2.526 -3.702 1.00 0.00 H new ATOM 0 HB2 ASN A 46 13.424 -4.814 -3.324 1.00 0.00 H new ATOM 0 HB3 ASN A 46 11.797 -5.273 -2.862 1.00 0.00 H new ATOM 0 HD21 ASN A 46 11.818 -3.989 -6.812 1.00 0.00 H new ATOM 0 HD22 ASN A 46 12.233 -2.867 -5.512 1.00 0.00 H new ATOM 755 N LEU A 47 10.442 -1.461 -3.498 1.00 0.00 N ATOM 756 CA LEU A 47 9.142 -0.851 -3.724 1.00 0.00 C ATOM 757 C LEU A 47 8.357 -1.544 -4.838 1.00 0.00 C ATOM 758 O LEU A 47 7.156 -1.741 -4.685 1.00 0.00 O ATOM 759 CB LEU A 47 9.344 0.634 -4.055 1.00 0.00 C ATOM 760 CG LEU A 47 8.018 1.365 -4.318 1.00 0.00 C ATOM 761 CD1 LEU A 47 7.098 1.349 -3.094 1.00 0.00 C ATOM 762 CD2 LEU A 47 8.311 2.809 -4.706 1.00 0.00 C ATOM 0 H LEU A 47 11.212 -0.796 -3.569 1.00 0.00 H new ATOM 0 HA LEU A 47 8.551 -0.960 -2.815 1.00 0.00 H new ATOM 0 HB2 LEU A 47 9.865 1.119 -3.229 1.00 0.00 H new ATOM 0 HB3 LEU A 47 9.984 0.723 -4.932 1.00 0.00 H new ATOM 0 HG LEU A 47 7.505 0.844 -5.126 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.173 1.877 -3.327 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.869 0.318 -2.824 1.00 0.00 H new ATOM 0 HD13 LEU A 47 7.596 1.840 -2.258 1.00 0.00 H new ATOM 0 HD21 LEU A 47 7.374 3.333 -4.894 1.00 0.00 H new ATOM 0 HD22 LEU A 47 8.846 3.302 -3.895 1.00 0.00 H new ATOM 0 HD23 LEU A 47 8.923 2.826 -5.608 1.00 0.00 H new ATOM 774 N ASP A 48 9.003 -1.928 -5.943 1.00 0.00 N ATOM 775 CA ASP A 48 8.298 -2.532 -7.081 1.00 0.00 C ATOM 776 C ASP A 48 7.546 -3.803 -6.675 1.00 0.00 C ATOM 777 O ASP A 48 6.417 -4.005 -7.112 1.00 0.00 O ATOM 778 CB ASP A 48 9.250 -2.826 -8.243 1.00 0.00 C ATOM 779 CG ASP A 48 8.510 -3.556 -9.373 1.00 0.00 C ATOM 780 OD1 ASP A 48 7.702 -2.927 -10.095 1.00 0.00 O ATOM 781 OD2 ASP A 48 8.726 -4.781 -9.516 1.00 0.00 O ATOM 0 H ASP A 48 10.010 -1.832 -6.075 1.00 0.00 H new ATOM 0 HA ASP A 48 7.565 -1.799 -7.418 1.00 0.00 H new ATOM 0 HB2 ASP A 48 9.672 -1.894 -8.619 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.083 -3.435 -7.893 1.00 0.00 H new ATOM 786 N SER A 49 8.111 -4.605 -5.765 1.00 0.00 N ATOM 787 CA SER A 49 7.455 -5.797 -5.232 1.00 0.00 C ATOM 788 C SER A 49 6.112 -5.436 -4.574 1.00 0.00 C ATOM 789 O SER A 49 5.121 -6.160 -4.725 1.00 0.00 O ATOM 790 CB SER A 49 8.414 -6.508 -4.265 1.00 0.00 C ATOM 791 OG SER A 49 8.362 -7.914 -4.423 1.00 0.00 O ATOM 0 H SER A 49 9.041 -4.442 -5.378 1.00 0.00 H new ATOM 0 HA SER A 49 7.220 -6.486 -6.044 1.00 0.00 H new ATOM 0 HB2 SER A 49 9.432 -6.159 -4.438 1.00 0.00 H new ATOM 0 HB3 SER A 49 8.157 -6.246 -3.238 1.00 0.00 H new ATOM 0 HG SER A 49 8.984 -8.337 -3.795 1.00 0.00 H new ATOM 797 N VAL A 50 6.062 -4.292 -3.881 1.00 0.00 N ATOM 798 CA VAL A 50 4.864 -3.751 -3.257 1.00 0.00 C ATOM 799 C VAL A 50 3.894 -3.252 -4.324 1.00 0.00 C ATOM 800 O VAL A 50 2.715 -3.600 -4.279 1.00 0.00 O ATOM 801 CB VAL A 50 5.213 -2.617 -2.268 1.00 0.00 C ATOM 802 CG1 VAL A 50 3.955 -2.233 -1.487 1.00 0.00 C ATOM 803 CG2 VAL A 50 6.331 -3.001 -1.287 1.00 0.00 C ATOM 0 H VAL A 50 6.884 -3.704 -3.739 1.00 0.00 H new ATOM 0 HA VAL A 50 4.385 -4.550 -2.692 1.00 0.00 H new ATOM 0 HB VAL A 50 5.581 -1.774 -2.853 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.192 -1.433 -0.786 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.186 -1.892 -2.180 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.589 -3.100 -0.937 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.531 -2.164 -0.618 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.020 -3.867 -0.702 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.236 -3.245 -1.844 1.00 0.00 H new ATOM 813 N LEU A 51 4.352 -2.400 -5.244 1.00 0.00 N ATOM 814 CA LEU A 51 3.490 -1.793 -6.258 1.00 0.00 C ATOM 815 C LEU A 51 2.837 -2.885 -7.096 1.00 0.00 C ATOM 816 O LEU A 51 1.630 -2.843 -7.316 1.00 0.00 O ATOM 817 CB LEU A 51 4.287 -0.818 -7.138 1.00 0.00 C ATOM 818 CG LEU A 51 4.678 0.483 -6.409 1.00 0.00 C ATOM 819 CD1 LEU A 51 5.709 1.250 -7.235 1.00 0.00 C ATOM 820 CD2 LEU A 51 3.469 1.391 -6.147 1.00 0.00 C ATOM 0 H LEU A 51 5.329 -2.113 -5.306 1.00 0.00 H new ATOM 0 HA LEU A 51 2.706 -1.220 -5.763 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.191 -1.314 -7.491 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.696 -0.569 -8.019 1.00 0.00 H new ATOM 0 HG LEU A 51 5.097 0.197 -5.444 1.00 0.00 H new ATOM 0 HD11 LEU A 51 5.982 2.168 -6.715 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.597 0.633 -7.372 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.285 1.496 -8.208 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.797 2.294 -5.632 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.006 1.663 -7.095 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.745 0.862 -5.527 1.00 0.00 H new ATOM 832 N LYS A 52 3.601 -3.910 -7.472 1.00 0.00 N ATOM 833 CA LYS A 52 3.087 -5.047 -8.211 1.00 0.00 C ATOM 834 C LYS A 52 2.062 -5.794 -7.378 1.00 0.00 C ATOM 835 O LYS A 52 1.004 -6.108 -7.909 1.00 0.00 O ATOM 836 CB LYS A 52 4.228 -5.964 -8.659 1.00 0.00 C ATOM 837 CG LYS A 52 3.662 -7.074 -9.557 1.00 0.00 C ATOM 838 CD LYS A 52 4.758 -7.810 -10.318 1.00 0.00 C ATOM 839 CE LYS A 52 5.555 -8.735 -9.394 1.00 0.00 C ATOM 840 NZ LYS A 52 6.872 -9.052 -9.970 1.00 0.00 N ATOM 0 H LYS A 52 4.599 -3.969 -7.268 1.00 0.00 H new ATOM 0 HA LYS A 52 2.589 -4.686 -9.111 1.00 0.00 H new ATOM 0 HB2 LYS A 52 4.980 -5.390 -9.200 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.723 -6.399 -7.791 1.00 0.00 H new ATOM 0 HG2 LYS A 52 3.105 -7.785 -8.947 1.00 0.00 H new ATOM 0 HG3 LYS A 52 2.956 -6.641 -10.266 1.00 0.00 H new ATOM 0 HD2 LYS A 52 4.314 -8.393 -11.125 1.00 0.00 H new ATOM 0 HD3 LYS A 52 5.431 -7.087 -10.780 1.00 0.00 H new ATOM 0 HE2 LYS A 52 5.685 -8.259 -8.422 1.00 0.00 H new ATOM 0 HE3 LYS A 52 4.997 -9.656 -9.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 7.391 -9.680 -9.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 6.745 -9.527 -10.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 7.412 -8.174 -10.107 1.00 0.00 H new ATOM 854 N LYS A 53 2.331 -6.073 -6.093 1.00 0.00 N ATOM 855 CA LYS A 53 1.340 -6.725 -5.237 1.00 0.00 C ATOM 856 C LYS A 53 0.036 -5.929 -5.245 1.00 0.00 C ATOM 857 O LYS A 53 -1.020 -6.548 -5.283 1.00 0.00 O ATOM 858 CB LYS A 53 1.880 -6.909 -3.808 1.00 0.00 C ATOM 859 CG LYS A 53 0.915 -7.655 -2.868 1.00 0.00 C ATOM 860 CD LYS A 53 0.828 -9.178 -3.096 1.00 0.00 C ATOM 861 CE LYS A 53 1.569 -9.937 -1.979 1.00 0.00 C ATOM 862 NZ LYS A 53 1.247 -11.380 -1.937 1.00 0.00 N ATOM 0 H LYS A 53 3.216 -5.859 -5.633 1.00 0.00 H new ATOM 0 HA LYS A 53 1.135 -7.719 -5.634 1.00 0.00 H new ATOM 0 HB2 LYS A 53 2.822 -7.455 -3.854 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.100 -5.929 -3.384 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.223 -7.474 -1.838 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.082 -7.228 -2.982 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.217 -9.488 -3.122 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.260 -9.431 -4.064 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.643 -9.816 -2.118 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.320 -9.488 -1.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 1.777 -11.832 -1.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.227 -11.504 -1.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.510 -11.821 -2.842 1.00 0.00 H new ATOM 876 N LEU A 54 0.098 -4.595 -5.182 1.00 0.00 N ATOM 877 CA LEU A 54 -1.090 -3.742 -5.189 1.00 0.00 C ATOM 878 C LEU A 54 -1.851 -3.897 -6.501 1.00 0.00 C ATOM 879 O LEU A 54 -3.053 -4.167 -6.499 1.00 0.00 O ATOM 880 CB LEU A 54 -0.686 -2.287 -4.915 1.00 0.00 C ATOM 881 CG LEU A 54 -0.651 -1.900 -3.425 1.00 0.00 C ATOM 882 CD1 LEU A 54 -2.001 -1.318 -2.989 1.00 0.00 C ATOM 883 CD2 LEU A 54 -0.261 -3.016 -2.437 1.00 0.00 C ATOM 0 H LEU A 54 0.975 -4.078 -5.125 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.767 -4.051 -4.393 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.300 -2.110 -5.346 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.383 -1.627 -5.432 1.00 0.00 H new ATOM 0 HG LEU A 54 0.151 -1.164 -3.373 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.958 -1.050 -1.933 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.222 -0.429 -3.580 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.784 -2.060 -3.143 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.272 -2.622 -1.421 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.974 -3.837 -2.516 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.739 -3.379 -2.675 1.00 0.00 H new ATOM 895 N GLU A 55 -1.154 -3.776 -7.623 1.00 0.00 N ATOM 896 CA GLU A 55 -1.761 -3.896 -8.939 1.00 0.00 C ATOM 897 C GLU A 55 -2.357 -5.308 -9.121 1.00 0.00 C ATOM 898 O GLU A 55 -3.432 -5.464 -9.703 1.00 0.00 O ATOM 899 CB GLU A 55 -0.704 -3.505 -9.989 1.00 0.00 C ATOM 900 CG GLU A 55 -0.387 -1.996 -9.892 1.00 0.00 C ATOM 901 CD GLU A 55 0.737 -1.493 -10.810 1.00 0.00 C ATOM 902 OE1 GLU A 55 1.696 -2.238 -11.118 1.00 0.00 O ATOM 903 OE2 GLU A 55 0.672 -0.299 -11.190 1.00 0.00 O ATOM 0 H GLU A 55 -0.151 -3.592 -7.645 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.604 -3.216 -9.063 1.00 0.00 H new ATOM 0 HB2 GLU A 55 0.205 -4.086 -9.834 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.068 -3.744 -10.988 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.295 -1.437 -10.119 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.120 -1.765 -8.861 1.00 0.00 H new ATOM 910 N GLU A 56 -1.717 -6.334 -8.549 1.00 0.00 N ATOM 911 CA GLU A 56 -2.123 -7.742 -8.542 1.00 0.00 C ATOM 912 C GLU A 56 -3.239 -8.077 -7.543 1.00 0.00 C ATOM 913 O GLU A 56 -3.723 -9.212 -7.555 1.00 0.00 O ATOM 914 CB GLU A 56 -0.902 -8.627 -8.245 1.00 0.00 C ATOM 915 CG GLU A 56 0.028 -8.788 -9.455 1.00 0.00 C ATOM 916 CD GLU A 56 -0.306 -10.049 -10.256 1.00 0.00 C ATOM 917 OE1 GLU A 56 0.073 -11.152 -9.791 1.00 0.00 O ATOM 918 OE2 GLU A 56 -0.959 -9.961 -11.320 1.00 0.00 O ATOM 0 H GLU A 56 -0.842 -6.192 -8.045 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.530 -7.939 -9.534 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.340 -8.196 -7.416 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.243 -9.611 -7.922 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.057 -7.913 -10.100 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.063 -8.835 -9.116 1.00 0.00 H new ATOM 925 N ILE A 57 -3.676 -7.146 -6.689 1.00 0.00 N ATOM 926 CA ILE A 57 -4.901 -7.309 -5.903 1.00 0.00 C ATOM 927 C ILE A 57 -6.050 -6.501 -6.519 1.00 0.00 C ATOM 928 O ILE A 57 -7.105 -6.426 -5.884 1.00 0.00 O ATOM 929 CB ILE A 57 -4.687 -7.055 -4.388 1.00 0.00 C ATOM 930 CG1 ILE A 57 -4.196 -5.631 -4.098 1.00 0.00 C ATOM 931 CG2 ILE A 57 -3.753 -8.125 -3.789 1.00 0.00 C ATOM 932 CD1 ILE A 57 -4.296 -5.186 -2.639 1.00 0.00 C ATOM 0 H ILE A 57 -3.193 -6.263 -6.524 1.00 0.00 H new ATOM 0 HA ILE A 57 -5.195 -8.357 -5.953 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.656 -7.142 -3.897 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -3.156 -5.553 -4.413 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.768 -4.936 -4.712 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.613 -7.932 -2.725 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -4.196 -9.112 -3.924 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.788 -8.089 -4.294 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -3.924 -4.166 -2.543 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.337 -5.224 -2.318 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.699 -5.850 -2.014 1.00 0.00 H new ATOM 944 N ASP A 58 -5.879 -5.987 -7.749 1.00 0.00 N ATOM 945 CA ASP A 58 -6.800 -5.126 -8.513 1.00 0.00 C ATOM 946 C ASP A 58 -6.808 -3.680 -8.007 1.00 0.00 C ATOM 947 O ASP A 58 -7.771 -2.964 -8.255 1.00 0.00 O ATOM 948 CB ASP A 58 -8.238 -5.696 -8.497 1.00 0.00 C ATOM 949 CG ASP A 58 -9.194 -5.058 -9.507 1.00 0.00 C ATOM 950 OD1 ASP A 58 -8.865 -5.007 -10.716 1.00 0.00 O ATOM 951 OD2 ASP A 58 -10.318 -4.679 -9.108 1.00 0.00 O ATOM 0 H ASP A 58 -5.027 -6.177 -8.277 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.430 -5.116 -9.538 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.191 -6.768 -8.690 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.652 -5.570 -7.497 1.00 0.00 H new ATOM 956 N TYR A 59 -5.774 -3.234 -7.276 1.00 0.00 N ATOM 957 CA TYR A 59 -5.763 -1.914 -6.648 1.00 0.00 C ATOM 958 C TYR A 59 -4.655 -1.068 -7.296 1.00 0.00 C ATOM 959 O TYR A 59 -3.573 -0.925 -6.723 1.00 0.00 O ATOM 960 CB TYR A 59 -5.555 -2.029 -5.121 1.00 0.00 C ATOM 961 CG TYR A 59 -6.745 -2.444 -4.271 1.00 0.00 C ATOM 962 CD1 TYR A 59 -7.712 -3.363 -4.723 1.00 0.00 C ATOM 963 CD2 TYR A 59 -6.888 -1.876 -2.991 1.00 0.00 C ATOM 964 CE1 TYR A 59 -8.830 -3.669 -3.941 1.00 0.00 C ATOM 965 CE2 TYR A 59 -7.987 -2.206 -2.180 1.00 0.00 C ATOM 966 CZ TYR A 59 -8.981 -3.081 -2.673 1.00 0.00 C ATOM 967 OH TYR A 59 -10.075 -3.386 -1.932 1.00 0.00 O ATOM 0 H TYR A 59 -4.929 -3.779 -7.107 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.726 -1.429 -6.804 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.753 -2.746 -4.946 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.205 -1.063 -4.757 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -7.588 -3.837 -5.685 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -6.146 -1.180 -2.629 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -9.577 -4.356 -4.311 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.071 -1.793 -1.186 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.624 -2.583 -1.814 1.00 0.00 H new ATOM 977 N PRO A 60 -4.884 -0.510 -8.502 1.00 0.00 N ATOM 978 CA PRO A 60 -3.873 0.244 -9.215 1.00 0.00 C ATOM 979 C PRO A 60 -3.571 1.546 -8.472 1.00 0.00 C ATOM 980 O PRO A 60 -4.474 2.356 -8.211 1.00 0.00 O ATOM 981 CB PRO A 60 -4.431 0.447 -10.625 1.00 0.00 C ATOM 982 CG PRO A 60 -5.942 0.337 -10.465 1.00 0.00 C ATOM 983 CD PRO A 60 -6.091 -0.630 -9.297 1.00 0.00 C ATOM 0 HA PRO A 60 -2.914 -0.270 -9.278 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -4.146 1.419 -11.027 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -4.050 -0.307 -11.314 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -6.397 1.304 -10.250 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -6.417 -0.045 -11.369 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.972 -0.387 -8.703 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.220 -1.652 -9.654 1.00 0.00 H new ATOM 991 N VAL A 61 -2.305 1.729 -8.098 1.00 0.00 N ATOM 992 CA VAL A 61 -1.787 2.905 -7.409 1.00 0.00 C ATOM 993 C VAL A 61 -1.716 4.064 -8.413 1.00 0.00 C ATOM 994 O VAL A 61 -1.173 3.880 -9.504 1.00 0.00 O ATOM 995 CB VAL A 61 -0.393 2.563 -6.830 1.00 0.00 C ATOM 996 CG1 VAL A 61 0.155 3.708 -5.971 1.00 0.00 C ATOM 997 CG2 VAL A 61 -0.413 1.282 -5.975 1.00 0.00 C ATOM 0 H VAL A 61 -1.583 1.030 -8.276 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.435 3.203 -6.585 1.00 0.00 H new ATOM 0 HB VAL A 61 0.254 2.404 -7.693 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.135 3.433 -5.581 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.246 4.608 -6.579 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.526 3.898 -5.141 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.588 1.085 -5.592 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.102 1.412 -5.140 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.739 0.441 -6.587 1.00 0.00 H new ATOM 1007 N GLU A 62 -2.210 5.256 -8.054 1.00 0.00 N ATOM 1008 CA GLU A 62 -2.129 6.439 -8.914 1.00 0.00 C ATOM 1009 C GLU A 62 -0.675 6.930 -8.986 1.00 0.00 C ATOM 1010 O GLU A 62 -0.100 7.026 -10.068 1.00 0.00 O ATOM 1011 CB GLU A 62 -3.096 7.533 -8.422 1.00 0.00 C ATOM 1012 CG GLU A 62 -3.142 8.735 -9.386 1.00 0.00 C ATOM 1013 CD GLU A 62 -4.221 9.768 -9.035 1.00 0.00 C ATOM 1014 OE1 GLU A 62 -5.414 9.597 -9.403 1.00 0.00 O ATOM 1015 OE2 GLU A 62 -3.931 10.769 -8.355 1.00 0.00 O ATOM 0 H GLU A 62 -2.675 5.425 -7.162 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.439 6.178 -9.926 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.096 7.113 -8.317 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.788 7.872 -7.433 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.169 9.226 -9.387 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.316 8.371 -10.398 1.00 0.00 H new ATOM 1022 N SER A 63 -0.029 7.190 -7.847 1.00 0.00 N ATOM 1023 CA SER A 63 1.397 7.525 -7.771 1.00 0.00 C ATOM 1024 C SER A 63 1.972 7.140 -6.411 1.00 0.00 C ATOM 1025 O SER A 63 1.238 6.749 -5.501 1.00 0.00 O ATOM 1026 CB SER A 63 1.597 9.018 -8.046 1.00 0.00 C ATOM 1027 OG SER A 63 1.583 9.259 -9.436 1.00 0.00 O ATOM 0 H SER A 63 -0.488 7.174 -6.936 1.00 0.00 H new ATOM 0 HA SER A 63 1.932 6.956 -8.531 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.809 9.594 -7.561 1.00 0.00 H new ATOM 0 HB3 SER A 63 2.544 9.351 -7.620 1.00 0.00 H new ATOM 0 HG SER A 63 1.037 8.577 -9.881 1.00 0.00 H new ATOM 1033 N TYR A 64 3.290 7.266 -6.273 1.00 0.00 N ATOM 1034 CA TYR A 64 4.045 7.078 -5.049 1.00 0.00 C ATOM 1035 C TYR A 64 5.161 8.132 -5.002 1.00 0.00 C ATOM 1036 O TYR A 64 5.440 8.793 -6.002 1.00 0.00 O ATOM 1037 CB TYR A 64 4.623 5.657 -5.003 1.00 0.00 C ATOM 1038 CG TYR A 64 5.500 5.323 -6.191 1.00 0.00 C ATOM 1039 CD1 TYR A 64 6.855 5.704 -6.182 1.00 0.00 C ATOM 1040 CD2 TYR A 64 4.947 4.694 -7.323 1.00 0.00 C ATOM 1041 CE1 TYR A 64 7.654 5.445 -7.313 1.00 0.00 C ATOM 1042 CE2 TYR A 64 5.750 4.415 -8.442 1.00 0.00 C ATOM 1043 CZ TYR A 64 7.113 4.780 -8.438 1.00 0.00 C ATOM 1044 OH TYR A 64 7.907 4.497 -9.505 1.00 0.00 O ATOM 0 H TYR A 64 3.888 7.516 -7.060 1.00 0.00 H new ATOM 0 HA TYR A 64 3.399 7.200 -4.180 1.00 0.00 H new ATOM 0 HB2 TYR A 64 5.204 5.539 -4.088 1.00 0.00 H new ATOM 0 HB3 TYR A 64 3.803 4.941 -4.954 1.00 0.00 H new ATOM 0 HD1 TYR A 64 7.278 6.191 -5.316 1.00 0.00 H new ATOM 0 HD2 TYR A 64 3.901 4.425 -7.331 1.00 0.00 H new ATOM 0 HE1 TYR A 64 8.688 5.757 -7.321 1.00 0.00 H new ATOM 0 HE2 TYR A 64 5.325 3.922 -9.304 1.00 0.00 H new ATOM 0 HH TYR A 64 7.380 4.037 -10.192 1.00 0.00 H new ATOM 1054 N GLN A 65 5.827 8.268 -3.855 1.00 0.00 N ATOM 1055 CA GLN A 65 6.979 9.124 -3.621 1.00 0.00 C ATOM 1056 C GLN A 65 7.659 8.586 -2.354 1.00 0.00 C ATOM 1057 O GLN A 65 7.020 7.916 -1.536 1.00 0.00 O ATOM 1058 CB GLN A 65 6.529 10.602 -3.491 1.00 0.00 C ATOM 1059 CG GLN A 65 5.535 10.851 -2.361 1.00 0.00 C ATOM 1060 CD GLN A 65 4.774 12.164 -2.442 1.00 0.00 C ATOM 1061 OE1 GLN A 65 3.663 12.208 -2.960 1.00 0.00 O ATOM 1062 NE2 GLN A 65 5.330 13.242 -1.909 1.00 0.00 N ATOM 0 H GLN A 65 5.557 7.751 -3.018 1.00 0.00 H new ATOM 0 HA GLN A 65 7.687 9.108 -4.449 1.00 0.00 H new ATOM 0 HB2 GLN A 65 7.408 11.226 -3.332 1.00 0.00 H new ATOM 0 HB3 GLN A 65 6.080 10.918 -4.432 1.00 0.00 H new ATOM 0 HG2 GLN A 65 4.815 10.033 -2.346 1.00 0.00 H new ATOM 0 HG3 GLN A 65 6.072 10.820 -1.413 1.00 0.00 H new ATOM 0 HE21 GLN A 65 6.255 13.181 -1.484 1.00 0.00 H new ATOM 0 HE22 GLN A 65 4.833 14.133 -1.924 1.00 0.00 H new ATOM 1071 N GLU A 66 8.953 8.833 -2.203 1.00 0.00 N ATOM 1072 CA GLU A 66 9.741 8.581 -1.013 1.00 0.00 C ATOM 1073 C GLU A 66 9.349 9.542 0.118 1.00 0.00 C ATOM 1074 O GLU A 66 8.903 10.670 -0.139 1.00 0.00 O ATOM 1075 CB GLU A 66 11.213 8.776 -1.404 1.00 0.00 C ATOM 1076 CG GLU A 66 12.099 7.892 -0.540 1.00 0.00 C ATOM 1077 CD GLU A 66 13.486 8.489 -0.325 1.00 0.00 C ATOM 1078 OE1 GLU A 66 14.345 8.387 -1.232 1.00 0.00 O ATOM 1079 OE2 GLU A 66 13.702 9.089 0.754 1.00 0.00 O ATOM 0 H GLU A 66 9.510 9.239 -2.955 1.00 0.00 H new ATOM 0 HA GLU A 66 9.567 7.570 -0.643 1.00 0.00 H new ATOM 0 HB2 GLU A 66 11.355 8.530 -2.456 1.00 0.00 H new ATOM 0 HB3 GLU A 66 11.496 9.821 -1.280 1.00 0.00 H new ATOM 0 HG2 GLU A 66 11.620 7.737 0.427 1.00 0.00 H new ATOM 0 HG3 GLU A 66 12.197 6.913 -1.008 1.00 0.00 H new ATOM 1086 N VAL A 67 9.519 9.106 1.369 1.00 0.00 N ATOM 1087 CA VAL A 67 9.240 9.890 2.566 1.00 0.00 C ATOM 1088 C VAL A 67 10.062 9.331 3.727 1.00 0.00 C ATOM 1089 O VAL A 67 10.899 8.439 3.477 1.00 0.00 O ATOM 1090 CB VAL A 67 7.711 9.915 2.762 1.00 0.00 C ATOM 1091 CG1 VAL A 67 7.112 8.558 3.129 1.00 0.00 C ATOM 1092 CG2 VAL A 67 7.225 10.935 3.778 1.00 0.00 C ATOM 0 H VAL A 67 9.865 8.170 1.579 1.00 0.00 H new ATOM 0 HA VAL A 67 9.549 10.933 2.489 1.00 0.00 H new ATOM 0 HB VAL A 67 7.357 10.210 1.774 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.033 8.657 3.250 1.00 0.00 H new ATOM 0 HG12 VAL A 67 7.324 7.840 2.336 1.00 0.00 H new ATOM 0 HG13 VAL A 67 7.551 8.207 4.063 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.139 10.885 3.853 1.00 0.00 H new ATOM 0 HG22 VAL A 67 7.666 10.718 4.751 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.521 11.935 3.460 1.00 0.00 H new