USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 423 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 7 HIS : no HD1:sc= 0.0492 K(o=0.23,f=-0.32) USER MOD Set 1.2: A 52 TYR OH : rot -77:sc= 0.177 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 148:sc= 0.0345 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 151:sc= -0.172 (180deg=-0.858) USER MOD Single : A 10 SER OG : rot 180:sc= 0.00406 USER MOD Single : A 12 THR OG1 : rot -20:sc= 0.267 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00149) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc=-0.00196 X(o=-0.002,f=-0.23) USER MOD Single : A 30 MET CE :methyl -153:sc= -0.115 (180deg=-0.62) USER MOD Single : A 35 ASN : amide:sc= -0.0184 K(o=-0.018,f=-0.63) USER MOD Single : A 37 TYR OH : rot -63:sc= -3.31! USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 136:sc= 1.9 USER MOD Single : A 51 ASN : amide:sc= -0.175 K(o=-0.18,f=-0.94) USER MOD Single : A 55 MET CE :methyl 160:sc= -0.0104 (180deg=-0.437) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.487 -9.058 -4.416 1.00 0.00 N ATOM 2 CA MET A 1 -4.664 -9.522 -3.265 1.00 0.00 C ATOM 3 C MET A 1 -4.700 -8.502 -2.132 1.00 0.00 C ATOM 4 O MET A 1 -5.325 -7.448 -2.256 1.00 0.00 O ATOM 5 CB MET A 1 -3.243 -9.782 -3.759 1.00 0.00 C ATOM 6 CG MET A 1 -2.930 -11.255 -3.948 1.00 0.00 C ATOM 7 SD MET A 1 -1.161 -11.596 -3.953 1.00 0.00 S ATOM 8 CE MET A 1 -1.122 -13.117 -4.894 1.00 0.00 C ATOM 0 H1 MET A 1 -5.069 -9.404 -5.303 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.455 -9.427 -4.322 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.513 -8.018 -4.428 1.00 0.00 H new ATOM 0 HA MET A 1 -5.070 -10.449 -2.860 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.095 -9.262 -4.706 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.535 -9.356 -3.047 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.404 -11.828 -3.151 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.364 -11.597 -4.888 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.092 -13.461 -4.987 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.713 -13.877 -4.382 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.537 -12.942 -5.886 1.00 0.00 H new ATOM 20 N GLU A 2 -4.065 -8.838 -1.011 1.00 0.00 N ATOM 21 CA GLU A 2 -4.084 -7.940 0.138 1.00 0.00 C ATOM 22 C GLU A 2 -2.751 -7.849 0.866 1.00 0.00 C ATOM 23 O GLU A 2 -2.023 -8.830 1.019 1.00 0.00 O ATOM 24 CB GLU A 2 -5.163 -8.373 1.126 1.00 0.00 C ATOM 25 CG GLU A 2 -6.576 -8.237 0.594 1.00 0.00 C ATOM 26 CD GLU A 2 -7.474 -9.368 1.050 1.00 0.00 C ATOM 27 OE1 GLU A 2 -7.414 -10.457 0.442 1.00 0.00 O ATOM 28 OE2 GLU A 2 -8.232 -9.165 2.020 1.00 0.00 O ATOM 0 H GLU A 2 -3.543 -9.704 -0.876 1.00 0.00 H new ATOM 0 HA GLU A 2 -4.299 -6.949 -0.261 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -4.989 -9.412 1.406 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -5.069 -7.778 2.035 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -6.996 -7.287 0.924 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -6.551 -8.213 -0.495 1.00 0.00 H new ATOM 35 N ALA A 3 -2.500 -6.653 1.374 1.00 0.00 N ATOM 36 CA ALA A 3 -1.309 -6.377 2.158 1.00 0.00 C ATOM 37 C ALA A 3 -1.694 -5.595 3.405 1.00 0.00 C ATOM 38 O ALA A 3 -2.582 -4.747 3.351 1.00 0.00 O ATOM 39 CB ALA A 3 -0.307 -5.588 1.343 1.00 0.00 C ATOM 0 H ALA A 3 -3.115 -5.848 1.254 1.00 0.00 H new ATOM 0 HA ALA A 3 -0.849 -7.322 2.447 1.00 0.00 H new ATOM 0 HB1 ALA A 3 0.579 -5.391 1.947 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -0.024 -6.161 0.460 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -0.753 -4.643 1.034 1.00 0.00 H new ATOM 45 N ILE A 4 -0.991 -5.803 4.509 1.00 0.00 N ATOM 46 CA ILE A 4 -1.268 -5.062 5.726 1.00 0.00 C ATOM 47 C ILE A 4 -0.212 -3.994 5.925 1.00 0.00 C ATOM 48 O ILE A 4 0.968 -4.242 5.669 1.00 0.00 O ATOM 49 CB ILE A 4 -1.334 -5.982 6.970 1.00 0.00 C ATOM 50 CG1 ILE A 4 -1.997 -5.250 8.145 1.00 0.00 C ATOM 51 CG2 ILE A 4 0.045 -6.512 7.345 1.00 0.00 C ATOM 52 CD1 ILE A 4 -1.075 -4.326 8.924 1.00 0.00 C ATOM 0 H ILE A 4 -0.228 -6.476 4.585 1.00 0.00 H new ATOM 0 HA ILE A 4 -2.248 -4.599 5.614 1.00 0.00 H new ATOM 0 HB ILE A 4 -1.950 -6.846 6.721 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -2.836 -4.667 7.764 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -2.409 -5.991 8.830 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -0.038 -7.154 8.222 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.453 -7.086 6.513 1.00 0.00 H new ATOM 0 HG23 ILE A 4 0.708 -5.676 7.569 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -1.632 -3.854 9.733 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -0.249 -4.903 9.340 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -0.682 -3.558 8.258 1.00 0.00 H new ATOM 64 N ALA A 5 -0.595 -2.840 6.439 1.00 0.00 N ATOM 65 CA ALA A 5 0.386 -1.793 6.673 1.00 0.00 C ATOM 66 C ALA A 5 -0.010 -0.869 7.795 1.00 0.00 C ATOM 67 O ALA A 5 -1.198 -0.709 8.083 1.00 0.00 O ATOM 68 CB ALA A 5 0.580 -0.969 5.421 1.00 0.00 C ATOM 0 H ALA A 5 -1.553 -2.605 6.698 1.00 0.00 H new ATOM 0 HA ALA A 5 1.312 -2.295 6.953 1.00 0.00 H new ATOM 0 HB1 ALA A 5 1.317 -0.188 5.610 1.00 0.00 H new ATOM 0 HB2 ALA A 5 0.931 -1.611 4.613 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -0.368 -0.512 5.136 1.00 0.00 H new ATOM 74 N LYS A 6 0.960 -0.150 8.335 1.00 0.00 N ATOM 75 CA LYS A 6 0.624 0.842 9.341 1.00 0.00 C ATOM 76 C LYS A 6 1.434 2.130 9.261 1.00 0.00 C ATOM 77 O LYS A 6 2.541 2.205 9.798 1.00 0.00 O ATOM 78 CB LYS A 6 0.762 0.217 10.722 1.00 0.00 C ATOM 79 CG LYS A 6 2.124 -0.403 10.967 1.00 0.00 C ATOM 80 CD LYS A 6 2.712 0.052 12.289 1.00 0.00 C ATOM 81 CE LYS A 6 2.518 -0.994 13.375 1.00 0.00 C ATOM 82 NZ LYS A 6 3.169 -2.292 13.031 1.00 0.00 N ATOM 0 H LYS A 6 1.951 -0.229 8.105 1.00 0.00 H new ATOM 0 HA LYS A 6 -0.406 1.142 9.146 1.00 0.00 H new ATOM 0 HB2 LYS A 6 0.576 0.980 11.478 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -0.005 -0.548 10.845 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.037 -1.489 10.961 1.00 0.00 H new ATOM 0 HG3 LYS A 6 2.799 -0.133 10.155 1.00 0.00 H new ATOM 0 HD2 LYS A 6 3.776 0.256 12.164 1.00 0.00 H new ATOM 0 HD3 LYS A 6 2.242 0.987 12.595 1.00 0.00 H new ATOM 0 HE2 LYS A 6 2.928 -0.621 14.313 1.00 0.00 H new ATOM 0 HE3 LYS A 6 1.452 -1.155 13.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 3.450 -2.782 13.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 2.500 -2.886 12.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 4.011 -2.114 12.448 1.00 0.00 H new ATOM 96 N HIS A 7 0.839 3.187 8.721 1.00 0.00 N ATOM 97 CA HIS A 7 1.452 4.502 8.760 1.00 0.00 C ATOM 98 C HIS A 7 0.356 5.512 8.428 1.00 0.00 C ATOM 99 O HIS A 7 -0.041 5.590 7.266 1.00 0.00 O ATOM 100 CB HIS A 7 2.675 4.619 7.846 1.00 0.00 C ATOM 101 CG HIS A 7 3.765 5.483 8.407 1.00 0.00 C ATOM 102 ND1 HIS A 7 4.358 5.252 9.633 1.00 0.00 N ATOM 103 CD2 HIS A 7 4.374 6.576 7.897 1.00 0.00 C ATOM 104 CE1 HIS A 7 5.287 6.170 9.851 1.00 0.00 C ATOM 105 NE2 HIS A 7 5.316 6.985 8.810 1.00 0.00 N ATOM 0 H HIS A 7 -0.066 3.156 8.252 1.00 0.00 H new ATOM 0 HA HIS A 7 1.855 4.701 9.753 1.00 0.00 H new ATOM 0 HB2 HIS A 7 3.074 3.622 7.658 1.00 0.00 H new ATOM 0 HB3 HIS A 7 2.361 5.024 6.884 1.00 0.00 H new ATOM 0 HD2 HIS A 7 4.160 7.042 6.947 1.00 0.00 H new ATOM 0 HE1 HIS A 7 5.913 6.241 10.728 1.00 0.00 H new ATOM 0 HE2 HIS A 7 5.937 7.787 8.702 1.00 0.00 H new ATOM 114 N ASP A 8 -0.106 6.337 9.361 1.00 0.00 N ATOM 115 CA ASP A 8 -1.103 7.338 9.014 1.00 0.00 C ATOM 116 C ASP A 8 -0.388 8.649 8.722 1.00 0.00 C ATOM 117 O ASP A 8 -0.070 9.430 9.617 1.00 0.00 O ATOM 118 CB ASP A 8 -2.135 7.502 10.131 1.00 0.00 C ATOM 119 CG ASP A 8 -1.512 7.970 11.426 1.00 0.00 C ATOM 120 OD1 ASP A 8 -0.913 7.129 12.128 1.00 0.00 O ATOM 121 OD2 ASP A 8 -1.620 9.175 11.737 1.00 0.00 O ATOM 0 H ASP A 8 0.185 6.334 10.338 1.00 0.00 H new ATOM 0 HA ASP A 8 -1.651 7.018 8.128 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -2.895 8.217 9.817 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -2.641 6.551 10.297 1.00 0.00 H new ATOM 126 N PHE A 9 -0.262 8.913 7.424 1.00 0.00 N ATOM 127 CA PHE A 9 0.317 10.162 6.947 1.00 0.00 C ATOM 128 C PHE A 9 -0.683 10.833 6.021 1.00 0.00 C ATOM 129 O PHE A 9 -1.238 10.199 5.126 1.00 0.00 O ATOM 130 CB PHE A 9 1.671 9.931 6.259 1.00 0.00 C ATOM 131 CG PHE A 9 1.615 9.420 4.849 1.00 0.00 C ATOM 132 CD1 PHE A 9 1.004 8.215 4.548 1.00 0.00 C ATOM 133 CD2 PHE A 9 2.209 10.142 3.823 1.00 0.00 C ATOM 134 CE1 PHE A 9 0.985 7.739 3.251 1.00 0.00 C ATOM 135 CE2 PHE A 9 2.189 9.674 2.527 1.00 0.00 C ATOM 136 CZ PHE A 9 1.580 8.471 2.240 1.00 0.00 C ATOM 0 H PHE A 9 -0.555 8.276 6.683 1.00 0.00 H new ATOM 0 HA PHE A 9 0.519 10.818 7.794 1.00 0.00 H new ATOM 0 HB2 PHE A 9 2.222 10.871 6.262 1.00 0.00 H new ATOM 0 HB3 PHE A 9 2.244 9.224 6.858 1.00 0.00 H new ATOM 0 HD1 PHE A 9 0.537 7.641 5.335 1.00 0.00 H new ATOM 0 HD2 PHE A 9 2.693 11.082 4.043 1.00 0.00 H new ATOM 0 HE1 PHE A 9 0.506 6.797 3.027 1.00 0.00 H new ATOM 0 HE2 PHE A 9 2.650 10.249 1.737 1.00 0.00 H new ATOM 0 HZ PHE A 9 1.568 8.100 1.226 1.00 0.00 H new ATOM 146 N SER A 10 -0.967 12.093 6.318 1.00 0.00 N ATOM 147 CA SER A 10 -1.968 12.822 5.542 1.00 0.00 C ATOM 148 C SER A 10 -1.447 13.217 4.164 1.00 0.00 C ATOM 149 O SER A 10 -0.252 13.143 3.874 1.00 0.00 O ATOM 150 CB SER A 10 -2.399 14.109 6.252 1.00 0.00 C ATOM 151 OG SER A 10 -2.326 13.971 7.660 1.00 0.00 O ATOM 0 H SER A 10 -0.532 12.625 7.072 1.00 0.00 H new ATOM 0 HA SER A 10 -2.813 12.141 5.439 1.00 0.00 H new ATOM 0 HB2 SER A 10 -1.762 14.934 5.932 1.00 0.00 H new ATOM 0 HB3 SER A 10 -3.419 14.363 5.962 1.00 0.00 H new ATOM 0 HG SER A 10 -2.605 14.808 8.086 1.00 0.00 H new ATOM 157 N ALA A 11 -2.403 13.601 3.318 1.00 0.00 N ATOM 158 CA ALA A 11 -2.136 13.960 1.930 1.00 0.00 C ATOM 159 C ALA A 11 -1.361 15.256 1.751 1.00 0.00 C ATOM 160 O ALA A 11 -1.677 16.284 2.348 1.00 0.00 O ATOM 161 CB ALA A 11 -3.447 14.035 1.168 1.00 0.00 C ATOM 0 H ALA A 11 -3.386 13.671 3.579 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.493 13.175 1.532 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.250 14.303 0.130 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -3.945 13.066 1.204 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -4.089 14.790 1.622 1.00 0.00 H new ATOM 167 N THR A 12 -0.335 15.175 0.905 1.00 0.00 N ATOM 168 CA THR A 12 0.520 16.314 0.602 1.00 0.00 C ATOM 169 C THR A 12 0.495 16.648 -0.892 1.00 0.00 C ATOM 170 O THR A 12 0.943 17.720 -1.294 1.00 0.00 O ATOM 171 CB THR A 12 1.961 16.021 1.032 1.00 0.00 C ATOM 172 OG1 THR A 12 2.827 17.095 0.692 1.00 0.00 O ATOM 173 CG2 THR A 12 2.523 14.760 0.410 1.00 0.00 C ATOM 0 H THR A 12 -0.076 14.319 0.414 1.00 0.00 H new ATOM 0 HA THR A 12 0.137 17.172 1.155 1.00 0.00 H new ATOM 0 HB THR A 12 1.914 15.888 2.113 1.00 0.00 H new ATOM 0 HG1 THR A 12 2.416 17.635 -0.015 1.00 0.00 H new ATOM 0 HG21 THR A 12 3.546 14.609 0.755 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.912 13.906 0.703 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.516 14.856 -0.676 1.00 0.00 H new ATOM 181 N ALA A 13 -0.020 15.737 -1.723 1.00 0.00 N ATOM 182 CA ALA A 13 -0.085 16.001 -3.156 1.00 0.00 C ATOM 183 C ALA A 13 -0.867 14.939 -3.928 1.00 0.00 C ATOM 184 O ALA A 13 -1.116 13.835 -3.439 1.00 0.00 O ATOM 185 CB ALA A 13 1.297 16.143 -3.777 1.00 0.00 C ATOM 0 H ALA A 13 -0.389 14.831 -1.434 1.00 0.00 H new ATOM 0 HA ALA A 13 -0.619 16.948 -3.240 1.00 0.00 H new ATOM 0 HB1 ALA A 13 1.198 16.339 -4.845 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.825 16.971 -3.304 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.859 15.221 -3.628 1.00 0.00 H new ATOM 191 N ASP A 14 -1.161 15.283 -5.185 1.00 0.00 N ATOM 192 CA ASP A 14 -1.833 14.398 -6.136 1.00 0.00 C ATOM 193 C ASP A 14 -0.865 13.325 -6.659 1.00 0.00 C ATOM 194 O ASP A 14 -0.805 13.056 -7.860 1.00 0.00 O ATOM 195 CB ASP A 14 -2.386 15.213 -7.315 1.00 0.00 C ATOM 196 CG ASP A 14 -3.898 15.137 -7.409 1.00 0.00 C ATOM 197 OD1 ASP A 14 -4.580 15.654 -6.498 1.00 0.00 O ATOM 198 OD2 ASP A 14 -4.399 14.559 -8.396 1.00 0.00 O ATOM 0 H ASP A 14 -0.935 16.198 -5.575 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.656 13.904 -5.620 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -2.083 16.254 -7.208 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.948 14.848 -8.244 1.00 0.00 H new ATOM 203 N ASP A 15 -0.112 12.718 -5.747 1.00 0.00 N ATOM 204 CA ASP A 15 0.851 11.683 -6.122 1.00 0.00 C ATOM 205 C ASP A 15 1.134 10.745 -4.953 1.00 0.00 C ATOM 206 O ASP A 15 1.247 9.536 -5.148 1.00 0.00 O ATOM 207 CB ASP A 15 2.152 12.326 -6.613 1.00 0.00 C ATOM 208 CG ASP A 15 2.527 11.867 -8.012 1.00 0.00 C ATOM 209 OD1 ASP A 15 1.610 11.628 -8.826 1.00 0.00 O ATOM 210 OD2 ASP A 15 3.737 11.743 -8.293 1.00 0.00 O ATOM 0 H ASP A 15 -0.148 12.922 -4.748 1.00 0.00 H new ATOM 0 HA ASP A 15 0.418 11.093 -6.930 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.045 13.411 -6.605 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.959 12.080 -5.923 1.00 0.00 H new ATOM 215 N GLU A 16 1.228 11.275 -3.742 1.00 0.00 N ATOM 216 CA GLU A 16 1.475 10.436 -2.578 1.00 0.00 C ATOM 217 C GLU A 16 0.159 10.017 -1.956 1.00 0.00 C ATOM 218 O GLU A 16 -0.634 10.859 -1.537 1.00 0.00 O ATOM 219 CB GLU A 16 2.314 11.172 -1.535 1.00 0.00 C ATOM 220 CG GLU A 16 3.810 11.084 -1.782 1.00 0.00 C ATOM 221 CD GLU A 16 4.264 11.987 -2.911 1.00 0.00 C ATOM 222 OE1 GLU A 16 4.235 11.542 -4.078 1.00 0.00 O ATOM 223 OE2 GLU A 16 4.646 13.140 -2.626 1.00 0.00 O ATOM 0 H GLU A 16 1.138 12.271 -3.541 1.00 0.00 H new ATOM 0 HA GLU A 16 2.026 9.556 -2.909 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.019 12.221 -1.518 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.093 10.763 -0.549 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.342 11.352 -0.870 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.077 10.053 -2.015 1.00 0.00 H new ATOM 230 N LEU A 17 -0.105 8.718 -1.947 1.00 0.00 N ATOM 231 CA LEU A 17 -1.348 8.213 -1.397 1.00 0.00 C ATOM 232 C LEU A 17 -1.244 8.205 0.120 1.00 0.00 C ATOM 233 O LEU A 17 -0.411 7.502 0.689 1.00 0.00 O ATOM 234 CB LEU A 17 -1.598 6.778 -1.860 1.00 0.00 C ATOM 235 CG LEU A 17 -3.032 6.483 -2.298 1.00 0.00 C ATOM 236 CD1 LEU A 17 -3.095 5.190 -3.099 1.00 0.00 C ATOM 237 CD2 LEU A 17 -3.946 6.412 -1.085 1.00 0.00 C ATOM 0 H LEU A 17 0.522 8.001 -2.312 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.164 8.851 -1.735 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.927 6.558 -2.691 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.334 6.099 -1.049 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.373 7.294 -2.942 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -4.125 4.999 -3.401 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.468 5.280 -3.986 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.738 4.364 -2.485 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.965 6.201 -1.409 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.606 5.619 -0.419 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.923 7.365 -0.556 1.00 0.00 H new ATOM 249 N SER A 18 -2.133 8.932 0.771 1.00 0.00 N ATOM 250 CA SER A 18 -2.150 8.967 2.221 1.00 0.00 C ATOM 251 C SER A 18 -2.937 7.783 2.749 1.00 0.00 C ATOM 252 O SER A 18 -3.661 7.115 2.012 1.00 0.00 O ATOM 253 CB SER A 18 -2.750 10.283 2.711 1.00 0.00 C ATOM 254 OG SER A 18 -4.166 10.250 2.680 1.00 0.00 O ATOM 0 H SER A 18 -2.849 9.503 0.322 1.00 0.00 H new ATOM 0 HA SER A 18 -1.129 8.902 2.596 1.00 0.00 H new ATOM 0 HB2 SER A 18 -2.412 10.482 3.728 1.00 0.00 H new ATOM 0 HB3 SER A 18 -2.390 11.102 2.089 1.00 0.00 H new ATOM 0 HG SER A 18 -4.520 11.106 3.001 1.00 0.00 H new ATOM 260 N PHE A 19 -2.773 7.532 4.040 1.00 0.00 N ATOM 261 CA PHE A 19 -3.471 6.411 4.654 1.00 0.00 C ATOM 262 C PHE A 19 -3.408 6.455 6.181 1.00 0.00 C ATOM 263 O PHE A 19 -2.854 7.381 6.780 1.00 0.00 O ATOM 264 CB PHE A 19 -2.893 5.084 4.140 1.00 0.00 C ATOM 265 CG PHE A 19 -3.920 4.103 3.663 1.00 0.00 C ATOM 266 CD1 PHE A 19 -4.698 3.403 4.564 1.00 0.00 C ATOM 267 CD2 PHE A 19 -4.104 3.875 2.312 1.00 0.00 C ATOM 268 CE1 PHE A 19 -5.638 2.506 4.131 1.00 0.00 C ATOM 269 CE2 PHE A 19 -5.047 2.967 1.879 1.00 0.00 C ATOM 270 CZ PHE A 19 -5.817 2.288 2.797 1.00 0.00 C ATOM 0 H PHE A 19 -2.179 8.073 4.669 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.521 6.488 4.370 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.203 5.295 3.323 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.311 4.623 4.938 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.564 3.565 5.623 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.505 4.412 1.591 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -6.240 1.969 4.849 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.181 2.789 0.822 1.00 0.00 H new ATOM 0 HZ PHE A 19 -6.563 1.583 2.460 1.00 0.00 H new ATOM 280 N ARG A 20 -4.021 5.422 6.773 1.00 0.00 N ATOM 281 CA ARG A 20 -4.102 5.247 8.216 1.00 0.00 C ATOM 282 C ARG A 20 -3.369 3.970 8.635 1.00 0.00 C ATOM 283 O ARG A 20 -3.343 2.977 7.895 1.00 0.00 O ATOM 284 CB ARG A 20 -5.573 5.180 8.647 1.00 0.00 C ATOM 285 CG ARG A 20 -5.795 4.583 10.031 1.00 0.00 C ATOM 286 CD ARG A 20 -6.889 5.318 10.793 1.00 0.00 C ATOM 287 NE ARG A 20 -6.748 5.160 12.240 1.00 0.00 N ATOM 288 CZ ARG A 20 -7.768 5.174 13.098 1.00 0.00 C ATOM 289 NH1 ARG A 20 -9.013 5.349 12.669 1.00 0.00 N ATOM 290 NH2 ARG A 20 -7.542 5.017 14.395 1.00 0.00 N ATOM 0 H ARG A 20 -4.479 4.677 6.249 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.626 6.097 8.706 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.991 6.186 8.627 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.127 4.590 7.917 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.063 3.531 9.935 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.865 4.625 10.599 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.859 6.378 10.539 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.864 4.943 10.480 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.809 5.031 12.617 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.197 5.474 11.674 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.785 5.358 13.335 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.589 4.886 14.734 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.321 5.027 15.053 1.00 0.00 H new ATOM 304 N LYS A 21 -2.842 3.971 9.849 1.00 0.00 N ATOM 305 CA LYS A 21 -2.182 2.797 10.392 1.00 0.00 C ATOM 306 C LYS A 21 -3.203 1.673 10.545 1.00 0.00 C ATOM 307 O LYS A 21 -4.346 1.916 10.930 1.00 0.00 O ATOM 308 CB LYS A 21 -1.583 3.093 11.771 1.00 0.00 C ATOM 309 CG LYS A 21 -2.413 4.044 12.619 1.00 0.00 C ATOM 310 CD LYS A 21 -3.478 3.304 13.404 1.00 0.00 C ATOM 311 CE LYS A 21 -3.152 3.285 14.884 1.00 0.00 C ATOM 312 NZ LYS A 21 -4.379 3.203 15.718 1.00 0.00 N ATOM 0 H LYS A 21 -2.859 4.774 10.477 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.383 2.508 9.709 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.461 2.154 12.311 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.587 3.516 11.639 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.761 4.583 13.307 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.884 4.788 11.977 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.446 3.780 13.248 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.562 2.282 13.034 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.506 2.435 15.103 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.594 4.185 15.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.114 3.175 16.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -4.976 4.036 15.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.907 2.340 15.475 1.00 0.00 H new ATOM 326 N THR A 22 -2.787 0.449 10.239 1.00 0.00 N ATOM 327 CA THR A 22 -3.638 -0.729 10.372 1.00 0.00 C ATOM 328 C THR A 22 -4.623 -0.950 9.231 1.00 0.00 C ATOM 329 O THR A 22 -5.333 -1.957 9.239 1.00 0.00 O ATOM 330 CB THR A 22 -4.404 -0.709 11.700 1.00 0.00 C ATOM 331 OG1 THR A 22 -3.535 -0.422 12.782 1.00 0.00 O ATOM 332 CG2 THR A 22 -5.099 -2.022 11.999 1.00 0.00 C ATOM 0 H THR A 22 -1.850 0.245 9.892 1.00 0.00 H new ATOM 0 HA THR A 22 -2.940 -1.566 10.340 1.00 0.00 H new ATOM 0 HB THR A 22 -5.158 0.071 11.591 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.046 -0.413 13.618 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.624 -1.947 12.951 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.814 -2.244 11.207 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.359 -2.821 12.054 1.00 0.00 H new ATOM 340 N GLN A 23 -4.711 -0.051 8.250 1.00 0.00 N ATOM 341 CA GLN A 23 -5.659 -0.299 7.175 1.00 0.00 C ATOM 342 C GLN A 23 -5.043 -1.105 6.043 1.00 0.00 C ATOM 343 O GLN A 23 -3.863 -0.964 5.725 1.00 0.00 O ATOM 344 CB GLN A 23 -6.350 0.962 6.669 1.00 0.00 C ATOM 345 CG GLN A 23 -7.251 1.634 7.688 1.00 0.00 C ATOM 346 CD GLN A 23 -8.620 1.982 7.124 1.00 0.00 C ATOM 347 OE1 GLN A 23 -9.631 1.417 7.534 1.00 0.00 O ATOM 348 NE2 GLN A 23 -8.662 2.916 6.180 1.00 0.00 N ATOM 0 H GLN A 23 -4.168 0.809 8.179 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.447 -0.909 7.616 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -5.590 1.674 6.348 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -6.942 0.709 5.789 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -7.374 0.976 8.548 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -6.770 2.543 8.049 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -7.800 3.363 5.866 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -9.556 3.187 5.770 1.00 0.00 H new ATOM 357 N ILE A 24 -5.858 -1.988 5.473 1.00 0.00 N ATOM 358 CA ILE A 24 -5.421 -2.881 4.408 1.00 0.00 C ATOM 359 C ILE A 24 -5.548 -2.239 3.025 1.00 0.00 C ATOM 360 O ILE A 24 -6.558 -1.612 2.705 1.00 0.00 O ATOM 361 CB ILE A 24 -6.222 -4.205 4.470 1.00 0.00 C ATOM 362 CG1 ILE A 24 -5.430 -5.354 3.845 1.00 0.00 C ATOM 363 CG2 ILE A 24 -7.590 -4.072 3.814 1.00 0.00 C ATOM 364 CD1 ILE A 24 -5.085 -6.448 4.835 1.00 0.00 C ATOM 0 H ILE A 24 -6.837 -2.103 5.736 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.363 -3.090 4.564 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.386 -4.433 5.523 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -6.008 -5.783 3.026 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.510 -4.960 3.413 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -8.119 -5.023 3.879 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.166 -3.301 4.326 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -7.466 -3.797 2.767 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -4.523 -7.233 4.329 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.481 -6.032 5.641 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.002 -6.867 5.248 1.00 0.00 H new ATOM 376 N LEU A 25 -4.503 -2.401 2.215 1.00 0.00 N ATOM 377 CA LEU A 25 -4.476 -1.835 0.865 1.00 0.00 C ATOM 378 C LEU A 25 -4.489 -2.928 -0.205 1.00 0.00 C ATOM 379 O LEU A 25 -4.010 -4.043 0.032 1.00 0.00 O ATOM 380 CB LEU A 25 -3.233 -0.956 0.685 1.00 0.00 C ATOM 381 CG LEU A 25 -1.925 -1.572 1.174 1.00 0.00 C ATOM 382 CD1 LEU A 25 -1.404 -2.597 0.188 1.00 0.00 C ATOM 383 CD2 LEU A 25 -0.884 -0.499 1.399 1.00 0.00 C ATOM 0 H LEU A 25 -3.663 -2.920 2.469 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.375 -1.230 0.744 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.129 -0.714 -0.373 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.393 -0.016 1.213 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.127 -2.074 2.120 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.471 -3.020 0.561 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.140 -3.392 0.067 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.225 -2.118 -0.775 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.042 -0.957 1.747 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.698 0.029 0.464 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.244 0.206 2.148 1.00 0.00 H new ATOM 395 N LYS A 26 -5.056 -2.623 -1.373 1.00 0.00 N ATOM 396 CA LYS A 26 -5.145 -3.573 -2.476 1.00 0.00 C ATOM 397 C LYS A 26 -3.895 -3.522 -3.358 1.00 0.00 C ATOM 398 O LYS A 26 -3.771 -2.667 -4.233 1.00 0.00 O ATOM 399 CB LYS A 26 -6.347 -3.184 -3.339 1.00 0.00 C ATOM 400 CG LYS A 26 -7.352 -4.306 -3.535 1.00 0.00 C ATOM 401 CD LYS A 26 -8.327 -4.382 -2.374 1.00 0.00 C ATOM 402 CE LYS A 26 -9.660 -4.975 -2.804 1.00 0.00 C ATOM 403 NZ LYS A 26 -10.774 -3.997 -2.655 1.00 0.00 N ATOM 0 H LYS A 26 -5.465 -1.711 -1.578 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.243 -4.578 -2.065 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -6.851 -2.334 -2.880 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -5.990 -2.854 -4.315 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -7.900 -4.148 -4.464 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -6.826 -5.255 -3.634 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -7.898 -4.989 -1.576 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -8.486 -3.384 -1.965 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -9.596 -5.298 -3.843 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -9.873 -5.862 -2.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -11.666 -4.438 -2.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -10.851 -3.708 -1.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -10.583 -3.161 -3.244 1.00 0.00 H new ATOM 417 N ILE A 27 -2.984 -4.456 -3.124 1.00 0.00 N ATOM 418 CA ILE A 27 -1.751 -4.505 -3.911 1.00 0.00 C ATOM 419 C ILE A 27 -1.998 -5.135 -5.281 1.00 0.00 C ATOM 420 O ILE A 27 -2.732 -6.119 -5.400 1.00 0.00 O ATOM 421 CB ILE A 27 -0.602 -5.265 -3.195 1.00 0.00 C ATOM 422 CG1 ILE A 27 -1.142 -6.386 -2.300 1.00 0.00 C ATOM 423 CG2 ILE A 27 0.252 -4.298 -2.385 1.00 0.00 C ATOM 424 CD1 ILE A 27 -0.610 -7.752 -2.661 1.00 0.00 C ATOM 0 H ILE A 27 -3.068 -5.180 -2.410 1.00 0.00 H new ATOM 0 HA ILE A 27 -1.436 -3.469 -4.033 1.00 0.00 H new ATOM 0 HB ILE A 27 0.021 -5.725 -3.962 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.887 -6.167 -1.263 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -2.230 -6.400 -2.364 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.053 -4.847 -1.890 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.683 -3.549 -3.049 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.368 -3.805 -1.636 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.033 -8.497 -1.987 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.888 -7.991 -3.687 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.476 -7.755 -2.569 1.00 0.00 H new ATOM 436 N LEU A 28 -1.471 -4.499 -6.331 1.00 0.00 N ATOM 437 CA LEU A 28 -1.725 -4.945 -7.702 1.00 0.00 C ATOM 438 C LEU A 28 -0.756 -6.020 -8.195 1.00 0.00 C ATOM 439 O LEU A 28 -1.192 -7.075 -8.661 1.00 0.00 O ATOM 440 CB LEU A 28 -1.668 -3.742 -8.648 1.00 0.00 C ATOM 441 CG LEU A 28 -2.973 -3.432 -9.397 1.00 0.00 C ATOM 442 CD1 LEU A 28 -3.593 -2.141 -8.880 1.00 0.00 C ATOM 443 CD2 LEU A 28 -2.719 -3.341 -10.893 1.00 0.00 C ATOM 0 H LEU A 28 -0.869 -3.679 -6.258 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.716 -5.399 -7.698 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.381 -2.862 -8.073 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.880 -3.914 -9.381 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.675 -4.246 -9.216 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.516 -1.938 -9.423 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.812 -2.243 -7.817 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.896 -1.317 -9.030 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.654 -3.121 -11.408 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.999 -2.547 -11.092 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.321 -4.290 -11.253 1.00 0.00 H new ATOM 455 N ASN A 29 0.546 -5.793 -8.051 1.00 0.00 N ATOM 456 CA ASN A 29 1.572 -6.749 -8.454 1.00 0.00 C ATOM 457 C ASN A 29 2.608 -6.843 -7.342 1.00 0.00 C ATOM 458 O ASN A 29 2.940 -5.847 -6.690 1.00 0.00 O ATOM 459 CB ASN A 29 2.227 -6.294 -9.755 1.00 0.00 C ATOM 460 CG ASN A 29 3.055 -7.395 -10.393 1.00 0.00 C ATOM 461 OD1 ASN A 29 2.592 -8.526 -10.551 1.00 0.00 O ATOM 462 ND2 ASN A 29 4.285 -7.070 -10.761 1.00 0.00 N ATOM 0 H ASN A 29 0.922 -4.934 -7.648 1.00 0.00 H new ATOM 0 HA ASN A 29 1.125 -7.729 -8.623 1.00 0.00 H new ATOM 0 HB2 ASN A 29 1.456 -5.969 -10.454 1.00 0.00 H new ATOM 0 HB3 ASN A 29 2.863 -5.431 -9.558 1.00 0.00 H new ATOM 0 HD21 ASN A 29 4.889 -7.769 -11.194 1.00 0.00 H new ATOM 0 HD22 ASN A 29 4.628 -6.121 -10.611 1.00 0.00 H new ATOM 469 N MET A 30 3.055 -8.066 -7.090 1.00 0.00 N ATOM 470 CA MET A 30 3.990 -8.390 -6.019 1.00 0.00 C ATOM 471 C MET A 30 5.227 -9.160 -6.471 1.00 0.00 C ATOM 472 O MET A 30 5.357 -9.559 -7.627 1.00 0.00 O ATOM 473 CB MET A 30 3.277 -9.087 -4.872 1.00 0.00 C ATOM 474 CG MET A 30 2.389 -10.226 -5.318 1.00 0.00 C ATOM 475 SD MET A 30 2.445 -11.623 -4.180 1.00 0.00 S ATOM 476 CE MET A 30 4.130 -12.173 -4.427 1.00 0.00 C ATOM 0 H MET A 30 2.772 -8.879 -7.636 1.00 0.00 H new ATOM 0 HA MET A 30 4.376 -7.435 -5.663 1.00 0.00 H new ATOM 0 HB2 MET A 30 4.020 -9.469 -4.171 1.00 0.00 H new ATOM 0 HB3 MET A 30 2.674 -8.357 -4.332 1.00 0.00 H new ATOM 0 HG2 MET A 30 1.362 -9.871 -5.404 1.00 0.00 H new ATOM 0 HG3 MET A 30 2.696 -10.556 -6.310 1.00 0.00 H new ATOM 0 HE1 MET A 30 4.201 -13.238 -4.208 1.00 0.00 H new ATOM 0 HE2 MET A 30 4.423 -11.995 -5.462 1.00 0.00 H new ATOM 0 HE3 MET A 30 4.794 -11.621 -3.762 1.00 0.00 H new ATOM 536 N ASN A 35 10.636 -0.059 -3.711 1.00 0.00 N ATOM 537 CA ASN A 35 10.362 0.970 -2.710 1.00 0.00 C ATOM 538 C ASN A 35 9.034 1.674 -3.006 1.00 0.00 C ATOM 539 O ASN A 35 8.370 2.177 -2.098 1.00 0.00 O ATOM 540 CB ASN A 35 11.474 2.023 -2.720 1.00 0.00 C ATOM 541 CG ASN A 35 11.404 2.945 -1.517 1.00 0.00 C ATOM 542 OD1 ASN A 35 10.533 3.811 -1.436 1.00 0.00 O ATOM 543 ND2 ASN A 35 12.326 2.766 -0.575 1.00 0.00 N ATOM 0 HA ASN A 35 10.311 0.482 -1.736 1.00 0.00 H new ATOM 0 HB2 ASN A 35 12.443 1.525 -2.737 1.00 0.00 H new ATOM 0 HB3 ASN A 35 11.403 2.614 -3.633 1.00 0.00 H new ATOM 0 HD21 ASN A 35 12.329 3.359 0.255 1.00 0.00 H new ATOM 0 HD22 ASN A 35 13.030 2.036 -0.683 1.00 0.00 H new ATOM 550 N TRP A 36 8.648 1.690 -4.282 1.00 0.00 N ATOM 551 CA TRP A 36 7.398 2.320 -4.703 1.00 0.00 C ATOM 552 C TRP A 36 6.456 1.308 -5.357 1.00 0.00 C ATOM 553 O TRP A 36 6.751 0.768 -6.425 1.00 0.00 O ATOM 554 CB TRP A 36 7.685 3.460 -5.683 1.00 0.00 C ATOM 555 CG TRP A 36 8.023 4.764 -5.026 1.00 0.00 C ATOM 556 CD1 TRP A 36 7.889 5.082 -3.705 1.00 0.00 C ATOM 557 CD2 TRP A 36 8.550 5.931 -5.669 1.00 0.00 C ATOM 558 NE1 TRP A 36 8.304 6.375 -3.488 1.00 0.00 N ATOM 559 CE2 TRP A 36 8.715 6.917 -4.679 1.00 0.00 C ATOM 560 CE3 TRP A 36 8.903 6.234 -6.986 1.00 0.00 C ATOM 561 CZ2 TRP A 36 9.213 8.185 -4.966 1.00 0.00 C ATOM 562 CZ3 TRP A 36 9.395 7.494 -7.270 1.00 0.00 C ATOM 563 CH2 TRP A 36 9.546 8.456 -6.264 1.00 0.00 C ATOM 0 H TRP A 36 9.185 1.273 -5.043 1.00 0.00 H new ATOM 0 HA TRP A 36 6.911 2.717 -3.813 1.00 0.00 H new ATOM 0 HB2 TRP A 36 8.511 3.168 -6.331 1.00 0.00 H new ATOM 0 HB3 TRP A 36 6.814 3.603 -6.322 1.00 0.00 H new ATOM 0 HD1 TRP A 36 7.512 4.416 -2.943 1.00 0.00 H new ATOM 0 HE1 TRP A 36 8.306 6.853 -2.587 1.00 0.00 H new ATOM 0 HE3 TRP A 36 8.794 5.497 -7.768 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 9.332 8.928 -4.191 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 9.668 7.741 -8.285 1.00 0.00 H new ATOM 0 HH2 TRP A 36 9.933 9.432 -6.518 1.00 0.00 H new ATOM 574 N TYR A 37 5.364 0.994 -4.662 1.00 0.00 N ATOM 575 CA TYR A 37 4.395 -0.004 -5.124 1.00 0.00 C ATOM 576 C TYR A 37 3.094 0.633 -5.611 1.00 0.00 C ATOM 577 O TYR A 37 2.792 1.778 -5.271 1.00 0.00 O ATOM 578 CB TYR A 37 4.090 -1.011 -4.010 1.00 0.00 C ATOM 579 CG TYR A 37 4.547 -2.419 -4.310 1.00 0.00 C ATOM 580 CD1 TYR A 37 5.806 -2.665 -4.841 1.00 0.00 C ATOM 581 CD2 TYR A 37 3.720 -3.505 -4.050 1.00 0.00 C ATOM 582 CE1 TYR A 37 6.229 -3.951 -5.109 1.00 0.00 C ATOM 583 CE2 TYR A 37 4.136 -4.796 -4.312 1.00 0.00 C ATOM 584 CZ TYR A 37 5.393 -5.013 -4.842 1.00 0.00 C ATOM 585 OH TYR A 37 5.820 -6.294 -5.104 1.00 0.00 O ATOM 0 H TYR A 37 5.125 1.421 -3.767 1.00 0.00 H new ATOM 0 HA TYR A 37 4.850 -0.519 -5.970 1.00 0.00 H new ATOM 0 HB2 TYR A 37 4.567 -0.674 -3.090 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.015 -1.020 -3.827 1.00 0.00 H new ATOM 0 HD1 TYR A 37 6.466 -1.835 -5.048 1.00 0.00 H new ATOM 0 HD2 TYR A 37 2.736 -3.337 -3.637 1.00 0.00 H new ATOM 0 HE1 TYR A 37 7.210 -4.124 -5.526 1.00 0.00 H new ATOM 0 HE2 TYR A 37 3.483 -5.630 -4.104 1.00 0.00 H new ATOM 0 HH TYR A 37 5.977 -6.396 -6.066 1.00 0.00 H new ATOM 595 N ARG A 38 2.383 -0.064 -6.496 1.00 0.00 N ATOM 596 CA ARG A 38 1.135 0.448 -7.048 1.00 0.00 C ATOM 597 C ARG A 38 -0.011 -0.302 -6.367 1.00 0.00 C ATOM 598 O ARG A 38 -0.253 -1.481 -6.641 1.00 0.00 O ATOM 599 CB ARG A 38 1.093 0.283 -8.568 1.00 0.00 C ATOM 600 CG ARG A 38 0.174 1.273 -9.266 1.00 0.00 C ATOM 601 CD ARG A 38 0.222 1.108 -10.778 1.00 0.00 C ATOM 602 NE ARG A 38 -0.117 -0.250 -11.195 1.00 0.00 N ATOM 603 CZ ARG A 38 -0.431 -0.588 -12.442 1.00 0.00 C ATOM 604 NH1 ARG A 38 -0.427 0.319 -13.408 1.00 0.00 N ATOM 605 NH2 ARG A 38 -0.728 -1.845 -12.729 1.00 0.00 N ATOM 0 H ARG A 38 2.652 -0.984 -6.844 1.00 0.00 H new ATOM 0 HA ARG A 38 1.045 1.517 -6.857 1.00 0.00 H new ATOM 0 HB2 ARG A 38 2.102 0.396 -8.965 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.768 -0.730 -8.806 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -0.848 1.131 -8.916 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.464 2.290 -9.000 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -0.470 1.812 -11.241 1.00 0.00 H new ATOM 0 HD3 ARG A 38 1.220 1.358 -11.138 1.00 0.00 H new ATOM 0 HE ARG A 38 -0.113 -0.984 -10.487 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -0.182 1.287 -13.198 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -0.669 0.050 -14.361 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -0.716 -2.552 -11.994 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -0.969 -2.107 -13.685 1.00 0.00 H new ATOM 619 N ALA A 39 -0.713 0.397 -5.482 1.00 0.00 N ATOM 620 CA ALA A 39 -1.841 -0.176 -4.752 1.00 0.00 C ATOM 621 C ALA A 39 -3.158 0.451 -5.201 1.00 0.00 C ATOM 622 O ALA A 39 -3.175 1.410 -5.973 1.00 0.00 O ATOM 623 CB ALA A 39 -1.652 -0.024 -3.251 1.00 0.00 C ATOM 0 H ALA A 39 -0.519 1.371 -5.250 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.881 -1.241 -4.980 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.506 -0.459 -2.731 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -0.741 -0.538 -2.945 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.574 1.034 -2.999 1.00 0.00 H new ATOM 629 N GLU A 40 -4.261 -0.115 -4.723 1.00 0.00 N ATOM 630 CA GLU A 40 -5.578 0.387 -5.101 1.00 0.00 C ATOM 631 C GLU A 40 -6.490 0.548 -3.893 1.00 0.00 C ATOM 632 O GLU A 40 -6.280 -0.077 -2.852 1.00 0.00 O ATOM 633 CB GLU A 40 -6.213 -0.548 -6.131 1.00 0.00 C ATOM 634 CG GLU A 40 -6.463 0.121 -7.474 1.00 0.00 C ATOM 635 CD GLU A 40 -7.880 -0.079 -7.973 1.00 0.00 C ATOM 636 OE1 GLU A 40 -8.825 0.171 -7.195 1.00 0.00 O ATOM 637 OE2 GLU A 40 -8.047 -0.483 -9.144 1.00 0.00 O ATOM 0 H GLU A 40 -4.272 -0.909 -4.083 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.448 1.375 -5.542 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.564 -1.411 -6.278 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -7.158 -0.923 -5.738 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.260 1.188 -7.387 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.764 -0.277 -8.209 1.00 0.00 H new ATOM 644 N LEU A 41 -7.455 1.454 -4.019 1.00 0.00 N ATOM 645 CA LEU A 41 -8.377 1.753 -2.932 1.00 0.00 C ATOM 646 C LEU A 41 -9.609 2.491 -3.455 1.00 0.00 C ATOM 647 O LEU A 41 -9.498 3.350 -4.330 1.00 0.00 O ATOM 648 CB LEU A 41 -7.667 2.593 -1.870 1.00 0.00 C ATOM 649 CG LEU A 41 -8.419 2.758 -0.553 1.00 0.00 C ATOM 650 CD1 LEU A 41 -7.932 1.739 0.459 1.00 0.00 C ATOM 651 CD2 LEU A 41 -8.236 4.172 -0.015 1.00 0.00 C ATOM 0 H LEU A 41 -7.618 1.995 -4.868 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.707 0.815 -2.485 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.698 2.139 -1.661 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.473 3.582 -2.284 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.481 2.590 -0.732 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.476 1.867 1.395 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -8.103 0.734 0.074 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.866 1.883 0.636 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -8.778 4.277 0.925 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.176 4.363 0.154 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -8.623 4.889 -0.738 1.00 0.00 H new ATOM 663 N ASP A 42 -10.779 2.170 -2.907 1.00 0.00 N ATOM 664 CA ASP A 42 -12.029 2.820 -3.307 1.00 0.00 C ATOM 665 C ASP A 42 -12.216 2.812 -4.829 1.00 0.00 C ATOM 666 O ASP A 42 -12.797 1.876 -5.377 1.00 0.00 O ATOM 667 CB ASP A 42 -12.075 4.253 -2.759 1.00 0.00 C ATOM 668 CG ASP A 42 -13.221 4.470 -1.793 1.00 0.00 C ATOM 669 OD1 ASP A 42 -14.314 3.920 -2.039 1.00 0.00 O ATOM 670 OD2 ASP A 42 -13.025 5.194 -0.794 1.00 0.00 O ATOM 0 H ASP A 42 -10.889 1.461 -2.182 1.00 0.00 H new ATOM 0 HA ASP A 42 -12.854 2.250 -2.881 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -11.134 4.476 -2.257 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -12.167 4.953 -3.589 1.00 0.00 H new ATOM 675 N GLY A 43 -11.735 3.856 -5.509 1.00 0.00 N ATOM 676 CA GLY A 43 -11.883 3.931 -6.952 1.00 0.00 C ATOM 677 C GLY A 43 -10.696 4.589 -7.626 1.00 0.00 C ATOM 678 O GLY A 43 -10.836 5.172 -8.702 1.00 0.00 O ATOM 0 H GLY A 43 -11.248 4.646 -5.086 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -12.013 2.926 -7.353 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -12.788 4.489 -7.192 1.00 0.00 H new ATOM 682 N LYS A 44 -9.548 4.582 -6.957 1.00 0.00 N ATOM 683 CA LYS A 44 -8.352 5.240 -7.476 1.00 0.00 C ATOM 684 C LYS A 44 -7.112 4.372 -7.285 1.00 0.00 C ATOM 685 O LYS A 44 -6.934 3.753 -6.233 1.00 0.00 O ATOM 686 CB LYS A 44 -8.118 6.554 -6.731 1.00 0.00 C ATOM 687 CG LYS A 44 -8.354 6.469 -5.234 1.00 0.00 C ATOM 688 CD LYS A 44 -8.388 7.855 -4.607 1.00 0.00 C ATOM 689 CE LYS A 44 -8.064 7.806 -3.124 1.00 0.00 C ATOM 690 NZ LYS A 44 -7.950 9.170 -2.534 1.00 0.00 N ATOM 0 H LYS A 44 -9.419 4.128 -6.053 1.00 0.00 H new ATOM 0 HA LYS A 44 -8.513 5.416 -8.540 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -7.094 6.882 -6.908 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -8.774 7.318 -7.149 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -9.295 5.955 -5.039 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -7.565 5.876 -4.771 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.673 8.502 -5.115 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.375 8.296 -4.750 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.841 7.248 -2.601 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.129 7.267 -2.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.728 9.093 -1.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.192 9.694 -3.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.851 9.676 -2.653 1.00 0.00 H new ATOM 704 N GLU A 45 -6.229 4.381 -8.280 1.00 0.00 N ATOM 705 CA GLU A 45 -4.976 3.639 -8.196 1.00 0.00 C ATOM 706 C GLU A 45 -3.845 4.614 -7.861 1.00 0.00 C ATOM 707 O GLU A 45 -3.633 5.587 -8.587 1.00 0.00 O ATOM 708 CB GLU A 45 -4.702 2.885 -9.506 1.00 0.00 C ATOM 709 CG GLU A 45 -4.311 3.778 -10.674 1.00 0.00 C ATOM 710 CD GLU A 45 -3.851 2.981 -11.878 1.00 0.00 C ATOM 711 OE1 GLU A 45 -4.709 2.607 -12.705 1.00 0.00 O ATOM 712 OE2 GLU A 45 -2.633 2.729 -11.992 1.00 0.00 O ATOM 0 H GLU A 45 -6.358 4.893 -9.152 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.043 2.891 -7.406 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.905 2.161 -9.335 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -5.593 2.319 -9.779 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.162 4.398 -10.955 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -3.514 4.453 -10.362 1.00 0.00 H new ATOM 719 N GLY A 46 -3.154 4.408 -6.740 1.00 0.00 N ATOM 720 CA GLY A 46 -2.115 5.356 -6.362 1.00 0.00 C ATOM 721 C GLY A 46 -0.758 4.761 -6.038 1.00 0.00 C ATOM 722 O GLY A 46 -0.609 3.545 -5.928 1.00 0.00 O ATOM 0 H GLY A 46 -3.289 3.624 -6.102 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -1.991 6.072 -7.175 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.461 5.916 -5.493 1.00 0.00 H new ATOM 726 N LEU A 47 0.228 5.644 -5.884 1.00 0.00 N ATOM 727 CA LEU A 47 1.589 5.211 -5.557 1.00 0.00 C ATOM 728 C LEU A 47 1.850 5.359 -4.060 1.00 0.00 C ATOM 729 O LEU A 47 1.373 6.310 -3.444 1.00 0.00 O ATOM 730 CB LEU A 47 2.644 6.010 -6.335 1.00 0.00 C ATOM 731 CG LEU A 47 2.153 7.320 -6.951 1.00 0.00 C ATOM 732 CD1 LEU A 47 3.322 8.257 -7.221 1.00 0.00 C ATOM 733 CD2 LEU A 47 1.369 7.051 -8.229 1.00 0.00 C ATOM 0 H LEU A 47 0.114 6.653 -5.979 1.00 0.00 H new ATOM 0 HA LEU A 47 1.670 4.163 -5.845 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.474 6.232 -5.664 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.038 5.379 -7.132 1.00 0.00 H new ATOM 0 HG LEU A 47 1.486 7.806 -6.239 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.952 9.184 -7.659 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.835 8.478 -6.285 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.018 7.781 -7.912 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.028 7.996 -8.652 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.010 6.541 -8.948 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.507 6.423 -8.002 1.00 0.00 H new ATOM 745 N ILE A 48 2.601 4.419 -3.477 1.00 0.00 N ATOM 746 CA ILE A 48 2.897 4.453 -2.045 1.00 0.00 C ATOM 747 C ILE A 48 4.215 3.726 -1.714 1.00 0.00 C ATOM 748 O ILE A 48 4.886 3.208 -2.607 1.00 0.00 O ATOM 749 CB ILE A 48 1.731 3.808 -1.252 1.00 0.00 C ATOM 750 CG1 ILE A 48 1.350 2.449 -1.849 1.00 0.00 C ATOM 751 CG2 ILE A 48 0.531 4.736 -1.207 1.00 0.00 C ATOM 752 CD1 ILE A 48 0.544 2.530 -3.125 1.00 0.00 C ATOM 0 H ILE A 48 3.013 3.629 -3.974 1.00 0.00 H new ATOM 0 HA ILE A 48 3.011 5.498 -1.755 1.00 0.00 H new ATOM 0 HB ILE A 48 2.068 3.643 -0.229 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.261 1.884 -2.045 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.780 1.888 -1.109 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -0.274 4.262 -0.646 1.00 0.00 H new ATOM 0 HG22 ILE A 48 0.812 5.670 -0.721 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.193 4.943 -2.222 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.319 1.523 -3.477 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.387 3.065 -2.934 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.118 3.060 -3.885 1.00 0.00 H new ATOM 764 N PRO A 49 4.537 3.581 -0.408 1.00 0.00 N ATOM 765 CA PRO A 49 5.735 2.888 0.057 1.00 0.00 C ATOM 766 C PRO A 49 5.505 1.421 0.397 1.00 0.00 C ATOM 767 O PRO A 49 4.725 1.096 1.292 1.00 0.00 O ATOM 768 CB PRO A 49 6.087 3.681 1.323 1.00 0.00 C ATOM 769 CG PRO A 49 4.834 4.402 1.734 1.00 0.00 C ATOM 770 CD PRO A 49 3.770 4.068 0.735 1.00 0.00 C ATOM 0 HA PRO A 49 6.512 2.858 -0.707 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.430 3.016 2.115 1.00 0.00 H new ATOM 0 HB3 PRO A 49 6.895 4.386 1.127 1.00 0.00 H new ATOM 0 HG2 PRO A 49 4.528 4.098 2.735 1.00 0.00 H new ATOM 0 HG3 PRO A 49 5.005 5.478 1.766 1.00 0.00 H new ATOM 0 HD2 PRO A 49 3.084 3.310 1.114 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.170 4.941 0.477 1.00 0.00 H new ATOM 778 N SER A 50 6.130 0.539 -0.376 1.00 0.00 N ATOM 779 CA SER A 50 5.968 -0.891 -0.134 1.00 0.00 C ATOM 780 C SER A 50 6.562 -1.247 1.232 1.00 0.00 C ATOM 781 O SER A 50 6.182 -2.235 1.859 1.00 0.00 O ATOM 782 CB SER A 50 6.638 -1.723 -1.228 1.00 0.00 C ATOM 783 OG SER A 50 5.783 -2.764 -1.675 1.00 0.00 O ATOM 0 H SER A 50 6.740 0.780 -1.158 1.00 0.00 H new ATOM 0 HA SER A 50 4.903 -1.122 -0.146 1.00 0.00 H new ATOM 0 HB2 SER A 50 6.903 -1.080 -2.067 1.00 0.00 H new ATOM 0 HB3 SER A 50 7.566 -2.149 -0.848 1.00 0.00 H new ATOM 0 HG SER A 50 5.813 -2.815 -2.653 1.00 0.00 H new ATOM 789 N ASN A 51 7.529 -0.433 1.653 1.00 0.00 N ATOM 790 CA ASN A 51 8.222 -0.661 2.916 1.00 0.00 C ATOM 791 C ASN A 51 7.346 -0.350 4.128 1.00 0.00 C ATOM 792 O ASN A 51 7.705 -0.693 5.254 1.00 0.00 O ATOM 793 CB ASN A 51 9.500 0.181 2.954 1.00 0.00 C ATOM 794 CG ASN A 51 10.749 -0.671 2.861 1.00 0.00 C ATOM 795 OD1 ASN A 51 10.789 -1.787 3.378 1.00 0.00 O ATOM 796 ND2 ASN A 51 11.777 -0.152 2.202 1.00 0.00 N ATOM 0 H ASN A 51 7.848 0.388 1.138 1.00 0.00 H new ATOM 0 HA ASN A 51 8.471 -1.721 2.971 1.00 0.00 H new ATOM 0 HB2 ASN A 51 9.487 0.895 2.131 1.00 0.00 H new ATOM 0 HB3 ASN A 51 9.525 0.760 3.877 1.00 0.00 H new ATOM 0 HD21 ASN A 51 12.643 -0.682 2.109 1.00 0.00 H new ATOM 0 HD22 ASN A 51 11.701 0.777 1.789 1.00 0.00 H new ATOM 803 N TYR A 52 6.187 0.267 3.902 1.00 0.00 N ATOM 804 CA TYR A 52 5.278 0.580 5.002 1.00 0.00 C ATOM 805 C TYR A 52 4.147 -0.448 5.088 1.00 0.00 C ATOM 806 O TYR A 52 3.214 -0.309 5.897 1.00 0.00 O ATOM 807 CB TYR A 52 4.719 1.992 4.847 1.00 0.00 C ATOM 808 CG TYR A 52 5.583 3.047 5.509 1.00 0.00 C ATOM 809 CD1 TYR A 52 6.006 2.898 6.822 1.00 0.00 C ATOM 810 CD2 TYR A 52 5.978 4.190 4.825 1.00 0.00 C ATOM 811 CE1 TYR A 52 6.794 3.858 7.429 1.00 0.00 C ATOM 812 CE2 TYR A 52 6.763 5.149 5.423 1.00 0.00 C ATOM 813 CZ TYR A 52 7.168 4.983 6.723 1.00 0.00 C ATOM 814 OH TYR A 52 7.954 5.941 7.318 1.00 0.00 O ATOM 0 H TYR A 52 5.859 0.556 2.981 1.00 0.00 H new ATOM 0 HA TYR A 52 5.842 0.534 5.934 1.00 0.00 H new ATOM 0 HB2 TYR A 52 4.621 2.224 3.786 1.00 0.00 H new ATOM 0 HB3 TYR A 52 3.717 2.029 5.275 1.00 0.00 H new ATOM 0 HD1 TYR A 52 5.715 2.019 7.378 1.00 0.00 H new ATOM 0 HD2 TYR A 52 5.662 4.329 3.802 1.00 0.00 H new ATOM 0 HE1 TYR A 52 7.116 3.728 8.452 1.00 0.00 H new ATOM 0 HE2 TYR A 52 7.059 6.029 4.871 1.00 0.00 H new ATOM 0 HH TYR A 52 7.405 6.488 7.919 1.00 0.00 H new ATOM 824 N ILE A 53 4.313 -1.536 4.327 1.00 0.00 N ATOM 825 CA ILE A 53 3.365 -2.644 4.283 1.00 0.00 C ATOM 826 C ILE A 53 4.132 -3.953 4.164 1.00 0.00 C ATOM 827 O ILE A 53 5.311 -3.954 3.811 1.00 0.00 O ATOM 828 CB ILE A 53 2.464 -2.516 3.021 1.00 0.00 C ATOM 829 CG1 ILE A 53 2.083 -1.052 2.747 1.00 0.00 C ATOM 830 CG2 ILE A 53 1.216 -3.375 3.138 1.00 0.00 C ATOM 831 CD1 ILE A 53 2.182 -0.673 1.293 1.00 0.00 C ATOM 0 H ILE A 53 5.121 -1.669 3.719 1.00 0.00 H new ATOM 0 HA ILE A 53 2.759 -2.625 5.189 1.00 0.00 H new ATOM 0 HB ILE A 53 3.048 -2.879 2.175 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.064 -0.878 3.092 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.732 -0.399 3.330 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.610 -3.261 2.239 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.503 -4.420 3.252 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.638 -3.061 4.007 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.900 0.373 1.169 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.206 -0.815 0.949 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.512 -1.302 0.707 1.00 0.00 H new ATOM 843 N GLU A 54 3.466 -5.072 4.447 1.00 0.00 N ATOM 844 CA GLU A 54 4.071 -6.395 4.370 1.00 0.00 C ATOM 845 C GLU A 54 3.056 -7.443 3.917 1.00 0.00 C ATOM 846 O GLU A 54 1.869 -7.339 4.233 1.00 0.00 O ATOM 847 CB GLU A 54 4.604 -6.835 5.735 1.00 0.00 C ATOM 848 CG GLU A 54 6.116 -6.946 5.788 1.00 0.00 C ATOM 849 CD GLU A 54 6.585 -7.994 6.778 1.00 0.00 C ATOM 850 OE1 GLU A 54 6.023 -8.053 7.892 1.00 0.00 O ATOM 851 OE2 GLU A 54 7.514 -8.758 6.439 1.00 0.00 O ATOM 0 H GLU A 54 2.488 -5.083 4.737 1.00 0.00 H new ATOM 0 HA GLU A 54 4.885 -6.322 3.648 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.273 -6.124 6.492 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.168 -7.800 5.993 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.494 -7.192 4.796 1.00 0.00 H new ATOM 0 HG3 GLU A 54 6.539 -5.979 6.059 1.00 0.00 H new ATOM 858 N MET A 55 3.529 -8.490 3.249 1.00 0.00 N ATOM 859 CA MET A 55 2.642 -9.560 2.807 1.00 0.00 C ATOM 860 C MET A 55 2.188 -10.428 3.981 1.00 0.00 C ATOM 861 O MET A 55 3.014 -11.028 4.668 1.00 0.00 O ATOM 862 CB MET A 55 3.339 -10.434 1.764 1.00 0.00 C ATOM 863 CG MET A 55 4.771 -10.796 2.130 1.00 0.00 C ATOM 864 SD MET A 55 5.988 -10.072 1.009 1.00 0.00 S ATOM 865 CE MET A 55 7.009 -9.158 2.161 1.00 0.00 C ATOM 0 H MET A 55 4.511 -8.620 3.004 1.00 0.00 H new ATOM 0 HA MET A 55 1.763 -9.095 2.361 1.00 0.00 H new ATOM 0 HB2 MET A 55 2.765 -11.351 1.628 1.00 0.00 H new ATOM 0 HB3 MET A 55 3.338 -9.913 0.807 1.00 0.00 H new ATOM 0 HG2 MET A 55 4.977 -10.461 3.147 1.00 0.00 H new ATOM 0 HG3 MET A 55 4.879 -11.881 2.124 1.00 0.00 H new ATOM 0 HE1 MET A 55 7.979 -8.955 1.706 1.00 0.00 H new ATOM 0 HE2 MET A 55 6.521 -8.216 2.411 1.00 0.00 H new ATOM 0 HE3 MET A 55 7.150 -9.746 3.068 1.00 0.00 H new ATOM 875 N LYS A 56 0.879 -10.542 4.173 1.00 0.00 N ATOM 876 CA LYS A 56 0.333 -11.386 5.235 1.00 0.00 C ATOM 877 C LYS A 56 0.127 -12.827 4.765 1.00 0.00 C ATOM 878 O LYS A 56 -0.899 -13.439 5.063 1.00 0.00 O ATOM 879 CB LYS A 56 -0.987 -10.834 5.775 1.00 0.00 C ATOM 880 CG LYS A 56 -1.109 -10.967 7.290 1.00 0.00 C ATOM 881 CD LYS A 56 -2.312 -11.807 7.698 1.00 0.00 C ATOM 882 CE LYS A 56 -3.384 -10.961 8.367 1.00 0.00 C ATOM 883 NZ LYS A 56 -3.878 -11.585 9.626 1.00 0.00 N ATOM 0 H LYS A 56 0.176 -10.063 3.610 1.00 0.00 H new ATOM 0 HA LYS A 56 1.070 -11.381 6.038 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -1.076 -9.783 5.499 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -1.816 -11.359 5.301 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -0.200 -11.419 7.688 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -1.193 -9.975 7.735 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -2.730 -12.296 6.818 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -1.992 -12.595 8.379 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -2.982 -9.972 8.586 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -4.218 -10.821 7.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -4.607 -10.978 10.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -4.285 -12.518 9.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -3.087 -11.695 10.292 1.00 0.00 H new