USER MOD reduce.3.24.130724 H: found=0, std=0, add=483, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 483 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 NoAdj-H: A 1 LEU H2 : A 1 LEU N : A 64 TRP C :(NH2R) USER MOD Set 1.1: A 51 SER OG : rot 180:sc= -0.227 USER MOD Set 1.2: A 55 LYS NZ :NH3+ 170:sc= -0.232 (180deg=-0.127) USER MOD Single : A 1 LEU N :NH3+ -125:sc= 1.42 (180deg=-0.918) USER MOD Single : A 2 THR OG1 : rot 83:sc= 0.29 USER MOD Single : A 4 ASN : amide:sc= 1.11 K(o=1.1,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0.17 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 171:sc=-0.00198 (180deg=-0.0823) USER MOD Single : A 14 LYS NZ :NH3+ 168:sc= -0.0171 (180deg=-0.204) USER MOD Single : A 20 ASN : amide:sc= -0.228 X(o=-0.23,f=0) USER MOD Single : A 21 THR OG1 : rot -82:sc= 1.04 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.281 USER MOD Single : A 33 THR OG1 : rot 76:sc= 1.25 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0418 USER MOD Single : A 48 THR OG1 : rot 101:sc= 1.24 USER MOD Single : A 50 LYS NZ :NH3+ -168:sc= 0.627 (180deg=0.522) USER MOD Single : A 54 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0722) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 5.899 -3.199 1.036 1.00 0.00 N ATOM 2 CA LEU A 1 4.614 -3.874 1.015 1.00 0.00 C ATOM 3 C LEU A 1 4.802 -5.327 0.659 1.00 0.00 C ATOM 4 O LEU A 1 4.355 -6.207 1.376 1.00 0.00 O ATOM 5 CB LEU A 1 3.669 -3.220 -0.005 1.00 0.00 C ATOM 6 CG LEU A 1 3.141 -1.820 0.318 1.00 0.00 C ATOM 7 CD1 LEU A 1 2.421 -1.264 -0.883 1.00 0.00 C ATOM 8 CD2 LEU A 1 2.193 -1.859 1.499 1.00 0.00 C ATOM 0 H1 LEU A 1 6.033 -2.736 1.958 1.00 0.00 H new ATOM 0 H3 LEU A 1 5.928 -2.483 0.282 1.00 0.00 H new ATOM 0 HA LEU A 1 4.171 -3.792 2.008 1.00 0.00 H new ATOM 0 HB2 LEU A 1 4.189 -3.171 -0.962 1.00 0.00 H new ATOM 0 HB3 LEU A 1 2.812 -3.880 -0.141 1.00 0.00 H new ATOM 0 HG LEU A 1 3.988 -1.183 0.573 1.00 0.00 H new ATOM 0 HD11 LEU A 1 2.045 -0.267 -0.653 1.00 0.00 H new ATOM 0 HD12 LEU A 1 3.110 -1.206 -1.726 1.00 0.00 H new ATOM 0 HD13 LEU A 1 1.586 -1.916 -1.141 1.00 0.00 H new ATOM 0 HD21 LEU A 1 1.832 -0.852 1.709 1.00 0.00 H new ATOM 0 HD22 LEU A 1 1.348 -2.507 1.266 1.00 0.00 H new ATOM 0 HD23 LEU A 1 2.717 -2.246 2.373 1.00 0.00 H new ATOM 20 N THR A 2 5.512 -5.567 -0.418 1.00 0.00 N ATOM 21 CA THR A 2 5.777 -6.905 -0.897 1.00 0.00 C ATOM 22 C THR A 2 6.439 -7.763 0.185 1.00 0.00 C ATOM 23 O THR A 2 6.016 -8.906 0.420 1.00 0.00 O ATOM 24 CB THR A 2 6.653 -6.848 -2.179 1.00 0.00 C ATOM 25 OG1 THR A 2 5.918 -6.282 -3.270 1.00 0.00 O ATOM 26 CG2 THR A 2 7.216 -8.201 -2.563 1.00 0.00 C ATOM 0 H THR A 2 5.926 -4.833 -0.992 1.00 0.00 H new ATOM 0 HA THR A 2 4.826 -7.375 -1.146 1.00 0.00 H new ATOM 0 HB THR A 2 7.502 -6.204 -1.950 1.00 0.00 H new ATOM 0 HG1 THR A 2 5.946 -5.304 -3.211 1.00 0.00 H new ATOM 0 HG21 THR A 2 7.819 -8.101 -3.465 1.00 0.00 H new ATOM 0 HG22 THR A 2 7.837 -8.580 -1.751 1.00 0.00 H new ATOM 0 HG23 THR A 2 6.397 -8.896 -2.749 1.00 0.00 H new ATOM 34 N ALA A 3 7.409 -7.188 0.858 1.00 0.00 N ATOM 35 CA ALA A 3 8.165 -7.866 1.896 1.00 0.00 C ATOM 36 C ALA A 3 7.314 -8.172 3.134 1.00 0.00 C ATOM 37 O ALA A 3 7.325 -9.288 3.644 1.00 0.00 O ATOM 38 CB ALA A 3 9.358 -7.019 2.284 1.00 0.00 C ATOM 0 H ALA A 3 7.702 -6.224 0.701 1.00 0.00 H new ATOM 0 HA ALA A 3 8.498 -8.822 1.492 1.00 0.00 H new ATOM 0 HB1 ALA A 3 9.927 -7.527 3.063 1.00 0.00 H new ATOM 0 HB2 ALA A 3 9.994 -6.865 1.412 1.00 0.00 H new ATOM 0 HB3 ALA A 3 9.014 -6.054 2.656 1.00 0.00 H new ATOM 44 N ASN A 4 6.554 -7.201 3.577 1.00 0.00 N ATOM 45 CA ASN A 4 5.806 -7.326 4.832 1.00 0.00 C ATOM 46 C ASN A 4 4.485 -8.028 4.660 1.00 0.00 C ATOM 47 O ASN A 4 4.022 -8.725 5.561 1.00 0.00 O ATOM 48 CB ASN A 4 5.604 -5.959 5.500 1.00 0.00 C ATOM 49 CG ASN A 4 6.884 -5.389 6.093 1.00 0.00 C ATOM 50 OD1 ASN A 4 7.193 -5.599 7.266 1.00 0.00 O ATOM 51 ND2 ASN A 4 7.645 -4.684 5.301 1.00 0.00 N ATOM 0 H ASN A 4 6.428 -6.310 3.097 1.00 0.00 H new ATOM 0 HA ASN A 4 6.416 -7.949 5.486 1.00 0.00 H new ATOM 0 HB2 ASN A 4 5.207 -5.258 4.766 1.00 0.00 H new ATOM 0 HB3 ASN A 4 4.856 -6.053 6.288 1.00 0.00 H new ATOM 0 HD21 ASN A 4 8.520 -4.292 5.650 1.00 0.00 H new ATOM 0 HD22 ASN A 4 7.365 -4.525 4.333 1.00 0.00 H new ATOM 58 N LEU A 5 3.869 -7.848 3.525 1.00 0.00 N ATOM 59 CA LEU A 5 2.581 -8.456 3.270 1.00 0.00 C ATOM 60 C LEU A 5 2.759 -9.791 2.597 1.00 0.00 C ATOM 61 O LEU A 5 1.909 -10.669 2.718 1.00 0.00 O ATOM 62 CB LEU A 5 1.770 -7.563 2.362 1.00 0.00 C ATOM 63 CG LEU A 5 1.592 -6.126 2.822 1.00 0.00 C ATOM 64 CD1 LEU A 5 0.986 -5.323 1.711 1.00 0.00 C ATOM 65 CD2 LEU A 5 0.737 -6.050 4.076 1.00 0.00 C ATOM 0 H LEU A 5 4.234 -7.285 2.757 1.00 0.00 H new ATOM 0 HA LEU A 5 2.067 -8.592 4.221 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.243 -7.553 1.380 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.783 -8.008 2.236 1.00 0.00 H new ATOM 0 HG LEU A 5 2.569 -5.712 3.073 1.00 0.00 H new ATOM 0 HD11 LEU A 5 0.856 -4.291 2.037 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.644 -5.349 0.842 1.00 0.00 H new ATOM 0 HD13 LEU A 5 0.016 -5.744 1.445 1.00 0.00 H new ATOM 0 HD21 LEU A 5 0.628 -5.009 4.380 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -0.247 -6.473 3.872 1.00 0.00 H new ATOM 0 HD23 LEU A 5 1.215 -6.614 4.877 1.00 0.00 H new ATOM 77 N GLY A 6 3.858 -9.943 1.871 1.00 0.00 N ATOM 78 CA GLY A 6 4.114 -11.194 1.198 1.00 0.00 C ATOM 79 C GLY A 6 3.302 -11.276 -0.058 1.00 0.00 C ATOM 80 O GLY A 6 2.694 -12.308 -0.361 1.00 0.00 O ATOM 0 H GLY A 6 4.571 -9.226 1.738 1.00 0.00 H new ATOM 0 HA2 GLY A 6 5.175 -11.279 0.961 1.00 0.00 H new ATOM 0 HA3 GLY A 6 3.867 -12.027 1.856 1.00 0.00 H new ATOM 84 N ILE A 7 3.269 -10.184 -0.773 1.00 0.00 N ATOM 85 CA ILE A 7 2.476 -10.092 -1.983 1.00 0.00 C ATOM 86 C ILE A 7 3.378 -9.869 -3.171 1.00 0.00 C ATOM 87 O ILE A 7 4.573 -9.666 -3.004 1.00 0.00 O ATOM 88 CB ILE A 7 1.432 -8.952 -1.918 1.00 0.00 C ATOM 89 CG1 ILE A 7 2.114 -7.592 -1.679 1.00 0.00 C ATOM 90 CG2 ILE A 7 0.375 -9.243 -0.851 1.00 0.00 C ATOM 91 CD1 ILE A 7 1.170 -6.416 -1.734 1.00 0.00 C ATOM 0 H ILE A 7 3.785 -9.335 -0.541 1.00 0.00 H new ATOM 0 HA ILE A 7 1.937 -11.034 -2.085 1.00 0.00 H new ATOM 0 HB ILE A 7 0.925 -8.900 -2.881 1.00 0.00 H new ATOM 0 HG12 ILE A 7 2.602 -7.608 -0.705 1.00 0.00 H new ATOM 0 HG13 ILE A 7 2.896 -7.453 -2.425 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.348 -8.428 -0.823 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.137 -10.175 -1.091 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.856 -9.334 0.123 1.00 0.00 H new ATOM 0 HD11 ILE A 7 1.725 -5.495 -1.556 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.700 -6.372 -2.716 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.402 -6.530 -0.969 1.00 0.00 H new ATOM 103 N SER A 8 2.819 -9.885 -4.344 1.00 0.00 N ATOM 104 CA SER A 8 3.578 -9.681 -5.548 1.00 0.00 C ATOM 105 C SER A 8 3.869 -8.192 -5.737 1.00 0.00 C ATOM 106 O SER A 8 3.269 -7.336 -5.066 1.00 0.00 O ATOM 107 CB SER A 8 2.797 -10.232 -6.742 1.00 0.00 C ATOM 108 OG SER A 8 1.522 -9.611 -6.839 1.00 0.00 O ATOM 0 H SER A 8 1.822 -10.040 -4.497 1.00 0.00 H new ATOM 0 HA SER A 8 4.528 -10.210 -5.473 1.00 0.00 H new ATOM 0 HB2 SER A 8 3.360 -10.063 -7.660 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.675 -11.310 -6.637 1.00 0.00 H new ATOM 0 HG SER A 8 1.038 -9.975 -7.610 1.00 0.00 H new ATOM 114 N SER A 9 4.772 -7.884 -6.636 1.00 0.00 N ATOM 115 CA SER A 9 5.109 -6.516 -6.939 1.00 0.00 C ATOM 116 C SER A 9 3.947 -5.877 -7.709 1.00 0.00 C ATOM 117 O SER A 9 3.703 -4.678 -7.595 1.00 0.00 O ATOM 118 CB SER A 9 6.419 -6.460 -7.746 1.00 0.00 C ATOM 119 OG SER A 9 6.876 -5.122 -7.924 1.00 0.00 O ATOM 0 H SER A 9 5.293 -8.574 -7.177 1.00 0.00 H new ATOM 0 HA SER A 9 5.268 -5.956 -6.018 1.00 0.00 H new ATOM 0 HB2 SER A 9 7.186 -7.041 -7.234 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.265 -6.924 -8.720 1.00 0.00 H new ATOM 0 HG SER A 9 7.710 -5.127 -8.439 1.00 0.00 H new ATOM 125 N TYR A 10 3.218 -6.710 -8.465 1.00 0.00 N ATOM 126 CA TYR A 10 2.034 -6.280 -9.201 1.00 0.00 C ATOM 127 C TYR A 10 1.021 -5.735 -8.204 1.00 0.00 C ATOM 128 O TYR A 10 0.577 -4.584 -8.311 1.00 0.00 O ATOM 129 CB TYR A 10 1.428 -7.487 -9.952 1.00 0.00 C ATOM 130 CG TYR A 10 0.283 -7.169 -10.914 1.00 0.00 C ATOM 131 CD1 TYR A 10 -1.007 -6.882 -10.456 1.00 0.00 C ATOM 132 CD2 TYR A 10 0.494 -7.189 -12.285 1.00 0.00 C ATOM 133 CE1 TYR A 10 -2.032 -6.621 -11.340 1.00 0.00 C ATOM 134 CE2 TYR A 10 -0.532 -6.924 -13.171 1.00 0.00 C ATOM 135 CZ TYR A 10 -1.792 -6.640 -12.693 1.00 0.00 C ATOM 136 OH TYR A 10 -2.827 -6.377 -13.581 1.00 0.00 O ATOM 0 H TYR A 10 3.437 -7.700 -8.580 1.00 0.00 H new ATOM 0 HA TYR A 10 2.298 -5.509 -9.925 1.00 0.00 H new ATOM 0 HB2 TYR A 10 2.223 -7.977 -10.514 1.00 0.00 H new ATOM 0 HB3 TYR A 10 1.069 -8.205 -9.215 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -1.203 -6.865 -9.394 1.00 0.00 H new ATOM 0 HD2 TYR A 10 1.479 -7.416 -12.667 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -3.023 -6.402 -10.970 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.347 -6.939 -14.235 1.00 0.00 H new ATOM 0 HH TYR A 10 -2.491 -6.429 -14.500 1.00 0.00 H new ATOM 146 N ALA A 11 0.701 -6.562 -7.210 1.00 0.00 N ATOM 147 CA ALA A 11 -0.244 -6.198 -6.176 1.00 0.00 C ATOM 148 C ALA A 11 0.256 -5.014 -5.386 1.00 0.00 C ATOM 149 O ALA A 11 -0.505 -4.113 -5.099 1.00 0.00 O ATOM 150 CB ALA A 11 -0.527 -7.379 -5.262 1.00 0.00 C ATOM 0 H ALA A 11 1.092 -7.498 -7.106 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.179 -5.912 -6.657 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -1.240 -7.081 -4.493 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -0.945 -8.199 -5.846 1.00 0.00 H new ATOM 0 HB3 ALA A 11 0.400 -7.705 -4.791 1.00 0.00 H new ATOM 156 N ALA A 12 1.546 -5.004 -5.078 1.00 0.00 N ATOM 157 CA ALA A 12 2.154 -3.911 -4.328 1.00 0.00 C ATOM 158 C ALA A 12 1.996 -2.587 -5.057 1.00 0.00 C ATOM 159 O ALA A 12 1.579 -1.602 -4.462 1.00 0.00 O ATOM 160 CB ALA A 12 3.617 -4.187 -4.062 1.00 0.00 C ATOM 0 H ALA A 12 2.196 -5.746 -5.338 1.00 0.00 H new ATOM 0 HA ALA A 12 1.633 -3.840 -3.373 1.00 0.00 H new ATOM 0 HB1 ALA A 12 4.048 -3.357 -3.501 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.715 -5.105 -3.483 1.00 0.00 H new ATOM 0 HB3 ALA A 12 4.145 -4.297 -5.009 1.00 0.00 H new ATOM 166 N LYS A 13 2.286 -2.585 -6.355 1.00 0.00 N ATOM 167 CA LYS A 13 2.173 -1.383 -7.174 1.00 0.00 C ATOM 168 C LYS A 13 0.721 -0.934 -7.223 1.00 0.00 C ATOM 169 O LYS A 13 0.417 0.274 -7.221 1.00 0.00 O ATOM 170 CB LYS A 13 2.694 -1.643 -8.586 1.00 0.00 C ATOM 171 CG LYS A 13 2.852 -0.378 -9.435 1.00 0.00 C ATOM 172 CD LYS A 13 3.435 -0.674 -10.819 1.00 0.00 C ATOM 173 CE LYS A 13 2.489 -1.489 -11.690 1.00 0.00 C ATOM 174 NZ LYS A 13 1.261 -0.739 -12.043 1.00 0.00 N ATOM 0 H LYS A 13 2.603 -3.409 -6.865 1.00 0.00 H new ATOM 0 HA LYS A 13 2.778 -0.594 -6.728 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.659 -2.146 -8.519 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.013 -2.326 -9.093 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.881 0.104 -9.548 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.499 0.327 -8.914 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.666 0.266 -11.321 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.375 -1.214 -10.705 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.005 -1.787 -12.603 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.215 -2.405 -11.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 0.722 -1.271 -12.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 0.677 -0.609 -11.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 1.521 0.191 -12.429 1.00 0.00 H new ATOM 188 N LYS A 14 -0.169 -1.906 -7.264 1.00 0.00 N ATOM 189 CA LYS A 14 -1.583 -1.633 -7.212 1.00 0.00 C ATOM 190 C LYS A 14 -1.986 -1.003 -5.893 1.00 0.00 C ATOM 191 O LYS A 14 -2.741 -0.029 -5.884 1.00 0.00 O ATOM 192 CB LYS A 14 -2.429 -2.851 -7.524 1.00 0.00 C ATOM 193 CG LYS A 14 -2.360 -3.236 -8.986 1.00 0.00 C ATOM 194 CD LYS A 14 -3.491 -4.145 -9.392 1.00 0.00 C ATOM 195 CE LYS A 14 -4.848 -3.438 -9.339 1.00 0.00 C ATOM 196 NZ LYS A 14 -4.932 -2.283 -10.264 1.00 0.00 N ATOM 0 H LYS A 14 0.069 -2.895 -7.334 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.780 -0.907 -8.001 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.095 -3.690 -6.913 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.465 -2.651 -7.251 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.384 -2.335 -9.598 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.410 -3.731 -9.185 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.314 -4.513 -10.403 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.510 -5.014 -8.735 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -5.634 -4.152 -9.585 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -5.035 -3.096 -8.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -5.921 -1.970 -10.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.349 -1.503 -9.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -4.586 -2.565 -11.203 1.00 0.00 H new ATOM 210 N VAL A 15 -1.473 -1.545 -4.789 1.00 0.00 N ATOM 211 CA VAL A 15 -1.696 -0.970 -3.453 1.00 0.00 C ATOM 212 C VAL A 15 -1.191 0.471 -3.426 1.00 0.00 C ATOM 213 O VAL A 15 -1.873 1.363 -2.910 1.00 0.00 O ATOM 214 CB VAL A 15 -0.971 -1.773 -2.330 1.00 0.00 C ATOM 215 CG1 VAL A 15 -1.213 -1.150 -0.957 1.00 0.00 C ATOM 216 CG2 VAL A 15 -1.403 -3.222 -2.322 1.00 0.00 C ATOM 0 H VAL A 15 -0.896 -2.386 -4.789 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.768 -1.013 -3.261 1.00 0.00 H new ATOM 0 HB VAL A 15 0.097 -1.731 -2.546 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.694 -1.733 -0.196 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.836 -0.127 -0.950 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.282 -1.144 -0.743 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.879 -3.754 -1.528 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.478 -3.280 -2.150 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.164 -3.678 -3.283 1.00 0.00 H new ATOM 226 N ILE A 16 -0.005 0.687 -4.012 1.00 0.00 N ATOM 227 CA ILE A 16 0.613 2.007 -4.108 1.00 0.00 C ATOM 228 C ILE A 16 -0.330 3.008 -4.736 1.00 0.00 C ATOM 229 O ILE A 16 -0.515 4.092 -4.206 1.00 0.00 O ATOM 230 CB ILE A 16 1.937 1.980 -4.921 1.00 0.00 C ATOM 231 CG1 ILE A 16 2.992 1.124 -4.223 1.00 0.00 C ATOM 232 CG2 ILE A 16 2.470 3.391 -5.169 1.00 0.00 C ATOM 233 CD1 ILE A 16 3.362 1.602 -2.839 1.00 0.00 C ATOM 0 H ILE A 16 0.552 -0.057 -4.434 1.00 0.00 H new ATOM 0 HA ILE A 16 0.841 2.310 -3.086 1.00 0.00 H new ATOM 0 HB ILE A 16 1.715 1.530 -5.889 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.626 0.100 -4.155 1.00 0.00 H new ATOM 0 HG13 ILE A 16 3.891 1.101 -4.839 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.397 3.335 -5.740 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.732 3.965 -5.730 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.661 3.881 -4.214 1.00 0.00 H new ATOM 0 HD11 ILE A 16 4.116 0.939 -2.415 1.00 0.00 H new ATOM 0 HD12 ILE A 16 3.761 2.615 -2.898 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.476 1.598 -2.204 1.00 0.00 H new ATOM 245 N ASP A 17 -0.942 2.633 -5.844 1.00 0.00 N ATOM 246 CA ASP A 17 -1.873 3.525 -6.532 1.00 0.00 C ATOM 247 C ASP A 17 -3.035 3.885 -5.633 1.00 0.00 C ATOM 248 O ASP A 17 -3.428 5.033 -5.543 1.00 0.00 O ATOM 249 CB ASP A 17 -2.397 2.909 -7.832 1.00 0.00 C ATOM 250 CG ASP A 17 -3.453 3.777 -8.504 1.00 0.00 C ATOM 251 OD1 ASP A 17 -3.091 4.779 -9.171 1.00 0.00 O ATOM 252 OD2 ASP A 17 -4.667 3.466 -8.386 1.00 0.00 O ATOM 0 H ASP A 17 -0.816 1.724 -6.289 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.320 4.430 -6.784 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -1.565 2.757 -8.520 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.819 1.927 -7.621 1.00 0.00 H new ATOM 257 N ILE A 18 -3.524 2.921 -4.910 1.00 0.00 N ATOM 258 CA ILE A 18 -4.684 3.120 -4.063 1.00 0.00 C ATOM 259 C ILE A 18 -4.339 4.007 -2.862 1.00 0.00 C ATOM 260 O ILE A 18 -5.012 4.999 -2.614 1.00 0.00 O ATOM 261 CB ILE A 18 -5.248 1.786 -3.556 1.00 0.00 C ATOM 262 CG1 ILE A 18 -5.498 0.837 -4.722 1.00 0.00 C ATOM 263 CG2 ILE A 18 -6.537 2.027 -2.783 1.00 0.00 C ATOM 264 CD1 ILE A 18 -5.814 -0.573 -4.296 1.00 0.00 C ATOM 0 H ILE A 18 -3.140 1.977 -4.884 1.00 0.00 H new ATOM 0 HA ILE A 18 -5.441 3.612 -4.673 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.518 1.327 -2.889 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -6.324 1.220 -5.321 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.618 0.825 -5.365 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -6.931 1.075 -2.427 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -6.335 2.678 -1.932 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -7.270 2.501 -3.436 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -5.980 -1.191 -5.178 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.979 -0.976 -3.723 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -6.712 -0.574 -3.678 1.00 0.00 H new ATOM 276 N ILE A 19 -3.284 3.655 -2.136 1.00 0.00 N ATOM 277 CA ILE A 19 -2.858 4.446 -0.964 1.00 0.00 C ATOM 278 C ILE A 19 -2.436 5.866 -1.373 1.00 0.00 C ATOM 279 O ILE A 19 -2.445 6.785 -0.559 1.00 0.00 O ATOM 280 CB ILE A 19 -1.687 3.783 -0.170 1.00 0.00 C ATOM 281 CG1 ILE A 19 -0.432 3.671 -1.048 1.00 0.00 C ATOM 282 CG2 ILE A 19 -2.103 2.416 0.371 1.00 0.00 C ATOM 283 CD1 ILE A 19 0.784 3.119 -0.348 1.00 0.00 C ATOM 0 H ILE A 19 -2.706 2.837 -2.327 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.729 4.489 -0.311 1.00 0.00 H new ATOM 0 HB ILE A 19 -1.447 4.420 0.681 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.660 3.036 -1.904 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.191 4.659 -1.440 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.272 1.974 0.920 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.957 2.533 1.038 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.377 1.764 -0.459 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.619 3.077 -1.047 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.045 3.764 0.491 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.568 2.116 0.019 1.00 0.00 H new ATOM 295 N ASN A 20 -2.063 6.021 -2.628 1.00 0.00 N ATOM 296 CA ASN A 20 -1.629 7.300 -3.160 1.00 0.00 C ATOM 297 C ASN A 20 -2.852 8.138 -3.546 1.00 0.00 C ATOM 298 O ASN A 20 -2.885 9.348 -3.325 1.00 0.00 O ATOM 299 CB ASN A 20 -0.775 7.062 -4.411 1.00 0.00 C ATOM 300 CG ASN A 20 0.092 8.225 -4.814 1.00 0.00 C ATOM 301 OD1 ASN A 20 -0.350 9.158 -5.464 1.00 0.00 O ATOM 302 ND2 ASN A 20 1.356 8.116 -4.515 1.00 0.00 N ATOM 0 H ASN A 20 -2.052 5.263 -3.310 1.00 0.00 H new ATOM 0 HA ASN A 20 -1.047 7.827 -2.404 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -0.138 6.194 -4.239 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.435 6.813 -5.242 1.00 0.00 H new ATOM 0 HD21 ASN A 20 2.017 8.827 -4.827 1.00 0.00 H new ATOM 0 HD22 ASN A 20 1.684 7.319 -3.969 1.00 0.00 H new ATOM 309 N THR A 21 -3.866 7.482 -4.086 1.00 0.00 N ATOM 310 CA THR A 21 -5.056 8.159 -4.569 1.00 0.00 C ATOM 311 C THR A 21 -6.062 8.436 -3.454 1.00 0.00 C ATOM 312 O THR A 21 -6.648 9.525 -3.384 1.00 0.00 O ATOM 313 CB THR A 21 -5.743 7.351 -5.696 1.00 0.00 C ATOM 314 OG1 THR A 21 -5.958 5.996 -5.264 1.00 0.00 O ATOM 315 CG2 THR A 21 -4.891 7.319 -6.939 1.00 0.00 C ATOM 0 H THR A 21 -3.887 6.469 -4.201 1.00 0.00 H new ATOM 0 HA THR A 21 -4.720 9.117 -4.966 1.00 0.00 H new ATOM 0 HB THR A 21 -6.692 7.838 -5.921 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.134 5.480 -5.384 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.399 6.745 -7.714 1.00 0.00 H new ATOM 0 HG22 THR A 21 -4.724 8.337 -7.292 1.00 0.00 H new ATOM 0 HG23 THR A 21 -3.932 6.853 -6.711 1.00 0.00 H new ATOM 323 N GLY A 22 -6.275 7.456 -2.613 1.00 0.00 N ATOM 324 CA GLY A 22 -7.216 7.585 -1.533 1.00 0.00 C ATOM 325 C GLY A 22 -6.715 8.505 -0.448 1.00 0.00 C ATOM 326 O GLY A 22 -5.509 8.625 -0.224 1.00 0.00 O ATOM 0 H GLY A 22 -5.804 6.552 -2.658 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -8.162 7.964 -1.921 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.417 6.601 -1.109 1.00 0.00 H new ATOM 330 N SER A 23 -7.617 9.145 0.214 1.00 0.00 N ATOM 331 CA SER A 23 -7.286 10.065 1.259 1.00 0.00 C ATOM 332 C SER A 23 -7.510 9.441 2.629 1.00 0.00 C ATOM 333 O SER A 23 -6.546 9.094 3.342 1.00 0.00 O ATOM 334 CB SER A 23 -8.137 11.313 1.104 1.00 0.00 C ATOM 335 OG SER A 23 -7.818 12.005 -0.103 1.00 0.00 O ATOM 0 H SER A 23 -8.618 9.046 0.046 1.00 0.00 H new ATOM 0 HA SER A 23 -6.230 10.325 1.183 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.192 11.040 1.102 1.00 0.00 H new ATOM 0 HB3 SER A 23 -7.980 11.973 1.958 1.00 0.00 H new ATOM 0 HG SER A 23 -8.380 12.804 -0.181 1.00 0.00 H new ATOM 341 N ALA A 24 -8.774 9.276 2.969 1.00 0.00 N ATOM 342 CA ALA A 24 -9.187 8.724 4.243 1.00 0.00 C ATOM 343 C ALA A 24 -8.723 7.293 4.388 1.00 0.00 C ATOM 344 O ALA A 24 -8.898 6.483 3.472 1.00 0.00 O ATOM 345 CB ALA A 24 -10.694 8.801 4.395 1.00 0.00 C ATOM 0 H ALA A 24 -9.553 9.525 2.359 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.724 9.318 5.031 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -10.984 8.381 5.358 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -11.012 9.842 4.342 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -11.170 8.235 3.594 1.00 0.00 H new ATOM 351 N VAL A 25 -8.162 6.986 5.538 1.00 0.00 N ATOM 352 CA VAL A 25 -7.599 5.670 5.822 1.00 0.00 C ATOM 353 C VAL A 25 -8.631 4.567 5.615 1.00 0.00 C ATOM 354 O VAL A 25 -8.367 3.602 4.900 1.00 0.00 O ATOM 355 CB VAL A 25 -7.001 5.598 7.255 1.00 0.00 C ATOM 356 CG1 VAL A 25 -6.375 4.238 7.530 1.00 0.00 C ATOM 357 CG2 VAL A 25 -5.974 6.698 7.459 1.00 0.00 C ATOM 0 H VAL A 25 -8.080 7.644 6.313 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.786 5.512 5.113 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.819 5.741 7.961 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.967 4.223 8.541 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.134 3.462 7.434 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.575 4.054 6.813 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.566 6.632 8.468 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.169 6.583 6.733 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.449 7.669 7.323 1.00 0.00 H new ATOM 367 N ALA A 26 -9.819 4.759 6.170 1.00 0.00 N ATOM 368 CA ALA A 26 -10.900 3.783 6.055 1.00 0.00 C ATOM 369 C ALA A 26 -11.285 3.557 4.598 1.00 0.00 C ATOM 370 O ALA A 26 -11.593 2.422 4.189 1.00 0.00 O ATOM 371 CB ALA A 26 -12.111 4.219 6.862 1.00 0.00 C ATOM 0 H ALA A 26 -10.063 5.589 6.710 1.00 0.00 H new ATOM 0 HA ALA A 26 -10.537 2.838 6.460 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -12.902 3.476 6.761 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.834 4.313 7.912 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -12.467 5.181 6.493 1.00 0.00 H new ATOM 377 N THR A 27 -11.199 4.614 3.810 1.00 0.00 N ATOM 378 CA THR A 27 -11.545 4.552 2.418 1.00 0.00 C ATOM 379 C THR A 27 -10.500 3.730 1.656 1.00 0.00 C ATOM 380 O THR A 27 -10.842 2.866 0.844 1.00 0.00 O ATOM 381 CB THR A 27 -11.673 5.986 1.846 1.00 0.00 C ATOM 382 OG1 THR A 27 -12.696 6.686 2.593 1.00 0.00 O ATOM 383 CG2 THR A 27 -12.055 5.970 0.376 1.00 0.00 C ATOM 0 H THR A 27 -10.887 5.533 4.124 1.00 0.00 H new ATOM 0 HA THR A 27 -12.508 4.056 2.300 1.00 0.00 H new ATOM 0 HB THR A 27 -10.708 6.485 1.937 1.00 0.00 H new ATOM 0 HG1 THR A 27 -12.789 7.597 2.245 1.00 0.00 H new ATOM 0 HG21 THR A 27 -12.135 6.993 0.010 1.00 0.00 H new ATOM 0 HG22 THR A 27 -11.291 5.440 -0.193 1.00 0.00 H new ATOM 0 HG23 THR A 27 -13.013 5.465 0.255 1.00 0.00 H new ATOM 391 N ILE A 28 -9.243 3.952 1.986 1.00 0.00 N ATOM 392 CA ILE A 28 -8.153 3.254 1.358 1.00 0.00 C ATOM 393 C ILE A 28 -8.204 1.778 1.706 1.00 0.00 C ATOM 394 O ILE A 28 -8.140 0.946 0.814 1.00 0.00 O ATOM 395 CB ILE A 28 -6.802 3.856 1.783 1.00 0.00 C ATOM 396 CG1 ILE A 28 -6.763 5.333 1.427 1.00 0.00 C ATOM 397 CG2 ILE A 28 -5.651 3.128 1.109 1.00 0.00 C ATOM 398 CD1 ILE A 28 -5.599 6.069 2.026 1.00 0.00 C ATOM 0 H ILE A 28 -8.955 4.623 2.698 1.00 0.00 H new ATOM 0 HA ILE A 28 -8.252 3.364 0.278 1.00 0.00 H new ATOM 0 HB ILE A 28 -6.695 3.741 2.862 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -6.727 5.435 0.342 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -7.689 5.802 1.760 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.706 3.571 1.424 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.671 2.075 1.392 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.749 3.215 0.027 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.639 7.117 1.728 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.645 5.999 3.113 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -4.668 5.626 1.673 1.00 0.00 H new ATOM 410 N ILE A 29 -8.377 1.465 2.998 1.00 0.00 N ATOM 411 CA ILE A 29 -8.437 0.073 3.468 1.00 0.00 C ATOM 412 C ILE A 29 -9.453 -0.731 2.658 1.00 0.00 C ATOM 413 O ILE A 29 -9.146 -1.826 2.171 1.00 0.00 O ATOM 414 CB ILE A 29 -8.842 0.004 4.961 1.00 0.00 C ATOM 415 CG1 ILE A 29 -7.841 0.742 5.827 1.00 0.00 C ATOM 416 CG2 ILE A 29 -8.964 -1.444 5.431 1.00 0.00 C ATOM 417 CD1 ILE A 29 -8.320 0.939 7.234 1.00 0.00 C ATOM 0 H ILE A 29 -8.478 2.159 3.738 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.441 -0.350 3.339 1.00 0.00 H new ATOM 0 HB ILE A 29 -9.815 0.485 5.059 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.903 0.187 5.842 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -7.629 1.714 5.381 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -9.249 -1.462 6.483 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -9.724 -1.956 4.840 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -8.006 -1.949 5.306 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -7.561 1.473 7.805 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -9.243 1.519 7.226 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -8.505 -0.031 7.695 1.00 0.00 H new ATOM 429 N ALA A 30 -10.627 -0.150 2.461 1.00 0.00 N ATOM 430 CA ALA A 30 -11.702 -0.818 1.758 1.00 0.00 C ATOM 431 C ALA A 30 -11.322 -1.077 0.308 1.00 0.00 C ATOM 432 O ALA A 30 -11.578 -2.167 -0.226 1.00 0.00 O ATOM 433 CB ALA A 30 -12.985 -0.002 1.845 1.00 0.00 C ATOM 0 H ALA A 30 -10.856 0.790 2.783 1.00 0.00 H new ATOM 0 HA ALA A 30 -11.877 -1.782 2.236 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -13.782 -0.519 1.311 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -13.268 0.120 2.890 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -12.824 0.978 1.396 1.00 0.00 H new ATOM 439 N LEU A 31 -10.661 -0.113 -0.300 1.00 0.00 N ATOM 440 CA LEU A 31 -10.280 -0.227 -1.691 1.00 0.00 C ATOM 441 C LEU A 31 -9.146 -1.231 -1.873 1.00 0.00 C ATOM 442 O LEU A 31 -9.190 -2.066 -2.773 1.00 0.00 O ATOM 443 CB LEU A 31 -9.883 1.136 -2.257 1.00 0.00 C ATOM 444 CG LEU A 31 -10.970 2.215 -2.282 1.00 0.00 C ATOM 445 CD1 LEU A 31 -10.413 3.516 -2.835 1.00 0.00 C ATOM 446 CD2 LEU A 31 -12.168 1.761 -3.102 1.00 0.00 C ATOM 0 H LEU A 31 -10.377 0.758 0.148 1.00 0.00 H new ATOM 0 HA LEU A 31 -11.146 -0.593 -2.243 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.042 1.514 -1.675 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -9.525 0.990 -3.276 1.00 0.00 H new ATOM 0 HG LEU A 31 -11.303 2.384 -1.258 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.198 4.272 -2.846 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.590 3.856 -2.206 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.051 3.354 -3.850 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -12.926 2.545 -3.104 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -11.853 1.558 -4.126 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -12.586 0.854 -2.665 1.00 0.00 H new ATOM 458 N VAL A 32 -8.156 -1.183 -0.990 1.00 0.00 N ATOM 459 CA VAL A 32 -7.007 -2.072 -1.104 1.00 0.00 C ATOM 460 C VAL A 32 -7.436 -3.514 -0.874 1.00 0.00 C ATOM 461 O VAL A 32 -7.041 -4.414 -1.619 1.00 0.00 O ATOM 462 CB VAL A 32 -5.854 -1.726 -0.121 1.00 0.00 C ATOM 463 CG1 VAL A 32 -4.617 -2.506 -0.473 1.00 0.00 C ATOM 464 CG2 VAL A 32 -5.529 -0.258 -0.121 1.00 0.00 C ATOM 0 H VAL A 32 -8.125 -0.545 -0.195 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.622 -1.937 -2.115 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.196 -1.997 0.878 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.817 -2.254 0.224 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.830 -3.573 -0.410 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.306 -2.257 -1.488 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.718 -0.065 0.581 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.223 0.047 -1.122 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -6.410 0.310 0.178 1.00 0.00 H new ATOM 474 N THR A 33 -8.287 -3.718 0.121 1.00 0.00 N ATOM 475 CA THR A 33 -8.785 -5.043 0.455 1.00 0.00 C ATOM 476 C THR A 33 -9.580 -5.629 -0.723 1.00 0.00 C ATOM 477 O THR A 33 -9.500 -6.828 -1.005 1.00 0.00 O ATOM 478 CB THR A 33 -9.661 -4.986 1.733 1.00 0.00 C ATOM 479 OG1 THR A 33 -8.907 -4.378 2.793 1.00 0.00 O ATOM 480 CG2 THR A 33 -10.095 -6.374 2.176 1.00 0.00 C ATOM 0 H THR A 33 -8.650 -2.973 0.716 1.00 0.00 H new ATOM 0 HA THR A 33 -7.934 -5.695 0.653 1.00 0.00 H new ATOM 0 HB THR A 33 -10.553 -4.402 1.505 1.00 0.00 H new ATOM 0 HG1 THR A 33 -8.872 -3.408 2.655 1.00 0.00 H new ATOM 0 HG21 THR A 33 -10.707 -6.294 3.074 1.00 0.00 H new ATOM 0 HG22 THR A 33 -10.675 -6.844 1.382 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.214 -6.980 2.390 1.00 0.00 H new ATOM 488 N ALA A 34 -10.271 -4.761 -1.450 1.00 0.00 N ATOM 489 CA ALA A 34 -11.058 -5.179 -2.596 1.00 0.00 C ATOM 490 C ALA A 34 -10.155 -5.582 -3.759 1.00 0.00 C ATOM 491 O ALA A 34 -10.491 -6.461 -4.543 1.00 0.00 O ATOM 492 CB ALA A 34 -12.002 -4.068 -3.024 1.00 0.00 C ATOM 0 H ALA A 34 -10.300 -3.759 -1.263 1.00 0.00 H new ATOM 0 HA ALA A 34 -11.648 -6.048 -2.304 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -12.585 -4.397 -3.884 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.675 -3.825 -2.201 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -11.425 -3.184 -3.294 1.00 0.00 H new ATOM 498 N VAL A 35 -9.007 -4.962 -3.844 1.00 0.00 N ATOM 499 CA VAL A 35 -8.082 -5.222 -4.920 1.00 0.00 C ATOM 500 C VAL A 35 -7.209 -6.429 -4.637 1.00 0.00 C ATOM 501 O VAL A 35 -7.075 -7.310 -5.485 1.00 0.00 O ATOM 502 CB VAL A 35 -7.212 -3.983 -5.225 1.00 0.00 C ATOM 503 CG1 VAL A 35 -6.083 -4.311 -6.202 1.00 0.00 C ATOM 504 CG2 VAL A 35 -8.085 -2.879 -5.794 1.00 0.00 C ATOM 0 H VAL A 35 -8.686 -4.265 -3.173 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.680 -5.446 -5.803 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.755 -3.652 -4.292 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.494 -3.414 -6.391 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.443 -5.082 -5.773 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.506 -4.671 -7.139 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.471 -2.004 -6.009 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.557 -3.226 -6.713 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -8.854 -2.613 -5.069 1.00 0.00 H new ATOM 514 N VAL A 36 -6.686 -6.524 -3.436 1.00 0.00 N ATOM 515 CA VAL A 36 -5.757 -7.609 -3.145 1.00 0.00 C ATOM 516 C VAL A 36 -6.500 -8.869 -2.750 1.00 0.00 C ATOM 517 O VAL A 36 -5.980 -9.984 -2.907 1.00 0.00 O ATOM 518 CB VAL A 36 -4.700 -7.247 -2.055 1.00 0.00 C ATOM 519 CG1 VAL A 36 -3.865 -6.056 -2.494 1.00 0.00 C ATOM 520 CG2 VAL A 36 -5.349 -6.981 -0.696 1.00 0.00 C ATOM 0 H VAL A 36 -6.875 -5.888 -2.661 1.00 0.00 H new ATOM 0 HA VAL A 36 -5.208 -7.785 -4.070 1.00 0.00 H new ATOM 0 HB VAL A 36 -4.044 -8.110 -1.938 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.134 -5.819 -1.721 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.346 -6.297 -3.422 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -4.515 -5.196 -2.655 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.578 -6.733 0.033 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -6.047 -6.149 -0.783 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.885 -7.872 -0.368 1.00 0.00 H new ATOM 551 N LEU A 40 -5.135 -7.952 4.510 1.00 0.00 N ATOM 552 CA LEU A 40 -3.748 -7.796 4.876 1.00 0.00 C ATOM 553 C LEU A 40 -3.415 -6.324 5.069 1.00 0.00 C ATOM 554 O LEU A 40 -2.785 -5.932 6.063 1.00 0.00 O ATOM 555 CB LEU A 40 -2.856 -8.421 3.802 1.00 0.00 C ATOM 556 CG LEU A 40 -2.998 -9.936 3.586 1.00 0.00 C ATOM 557 CD1 LEU A 40 -2.068 -10.401 2.479 1.00 0.00 C ATOM 558 CD2 LEU A 40 -2.717 -10.703 4.872 1.00 0.00 C ATOM 0 HA LEU A 40 -3.567 -8.309 5.820 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.061 -7.921 2.855 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.817 -8.209 4.056 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.027 -10.140 3.290 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.180 -11.476 2.338 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.319 -9.885 1.552 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.037 -10.176 2.752 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.825 -11.772 4.689 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.701 -10.493 5.206 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.424 -10.394 5.642 1.00 0.00 H new ATOM 570 N ILE A 41 -3.836 -5.505 4.139 1.00 0.00 N ATOM 571 CA ILE A 41 -3.595 -4.106 4.264 1.00 0.00 C ATOM 572 C ILE A 41 -4.636 -3.503 5.189 1.00 0.00 C ATOM 573 O ILE A 41 -5.784 -3.254 4.802 1.00 0.00 O ATOM 574 CB ILE A 41 -3.535 -3.335 2.902 1.00 0.00 C ATOM 575 CG1 ILE A 41 -2.420 -3.885 1.981 1.00 0.00 C ATOM 576 CG2 ILE A 41 -3.308 -1.847 3.143 1.00 0.00 C ATOM 577 CD1 ILE A 41 -2.737 -5.199 1.288 1.00 0.00 C ATOM 0 H ILE A 41 -4.341 -5.787 3.299 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.597 -3.994 4.689 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.493 -3.483 2.404 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.198 -3.137 1.220 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.514 -4.015 2.573 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.269 -1.325 2.187 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.126 -1.446 3.742 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -2.367 -1.704 3.673 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.892 -5.496 0.667 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.926 -5.969 2.036 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.621 -5.076 0.662 1.00 0.00 H new ATOM 589 N THR A 42 -4.251 -3.373 6.418 1.00 0.00 N ATOM 590 CA THR A 42 -5.079 -2.804 7.435 1.00 0.00 C ATOM 591 C THR A 42 -4.719 -1.333 7.613 1.00 0.00 C ATOM 592 O THR A 42 -3.855 -0.816 6.885 1.00 0.00 O ATOM 593 CB THR A 42 -4.837 -3.559 8.746 1.00 0.00 C ATOM 594 OG1 THR A 42 -3.418 -3.668 8.963 1.00 0.00 O ATOM 595 CG2 THR A 42 -5.462 -4.946 8.707 1.00 0.00 C ATOM 0 H THR A 42 -3.332 -3.666 6.751 1.00 0.00 H new ATOM 0 HA THR A 42 -6.129 -2.884 7.153 1.00 0.00 H new ATOM 0 HB THR A 42 -5.303 -3.007 9.562 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.251 -4.148 9.801 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.273 -5.457 9.651 1.00 0.00 H new ATOM 0 HG22 THR A 42 -6.537 -4.856 8.552 1.00 0.00 H new ATOM 0 HG23 THR A 42 -5.024 -5.520 7.890 1.00 0.00 H new ATOM 603 N ALA A 43 -5.348 -0.672 8.584 1.00 0.00 N ATOM 604 CA ALA A 43 -5.102 0.743 8.872 1.00 0.00 C ATOM 605 C ALA A 43 -3.641 0.991 9.159 1.00 0.00 C ATOM 606 O ALA A 43 -3.079 2.002 8.729 1.00 0.00 O ATOM 607 CB ALA A 43 -5.948 1.206 10.048 1.00 0.00 C ATOM 0 H ALA A 43 -6.043 -1.102 9.194 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.383 1.316 7.988 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.751 2.260 10.246 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.004 1.073 9.812 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.697 0.618 10.931 1.00 0.00 H new ATOM 613 N GLY A 44 -3.018 0.037 9.839 1.00 0.00 N ATOM 614 CA GLY A 44 -1.629 0.153 10.171 1.00 0.00 C ATOM 615 C GLY A 44 -0.774 0.106 8.941 1.00 0.00 C ATOM 616 O GLY A 44 0.174 0.884 8.811 1.00 0.00 O ATOM 0 H GLY A 44 -3.464 -0.820 10.165 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -1.456 1.089 10.702 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -1.345 -0.654 10.846 1.00 0.00 H new ATOM 620 N ILE A 45 -1.134 -0.752 7.996 1.00 0.00 N ATOM 621 CA ILE A 45 -0.373 -0.869 6.785 1.00 0.00 C ATOM 622 C ILE A 45 -0.568 0.386 5.938 1.00 0.00 C ATOM 623 O ILE A 45 0.401 0.962 5.466 1.00 0.00 O ATOM 624 CB ILE A 45 -0.743 -2.151 5.986 1.00 0.00 C ATOM 625 CG1 ILE A 45 -0.474 -3.412 6.834 1.00 0.00 C ATOM 626 CG2 ILE A 45 0.033 -2.223 4.671 1.00 0.00 C ATOM 627 CD1 ILE A 45 0.971 -3.579 7.280 1.00 0.00 C ATOM 0 H ILE A 45 -1.945 -1.368 8.055 1.00 0.00 H new ATOM 0 HA ILE A 45 0.680 -0.962 7.049 1.00 0.00 H new ATOM 0 HB ILE A 45 -1.806 -2.105 5.751 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.112 -3.383 7.717 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.767 -4.290 6.258 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.246 -3.129 4.133 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.204 -1.352 4.061 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.103 -2.240 4.880 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.067 -4.491 7.870 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.617 -3.644 6.404 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.266 -2.722 7.886 1.00 0.00 H new ATOM 639 N VAL A 46 -1.819 0.834 5.821 1.00 0.00 N ATOM 640 CA VAL A 46 -2.164 2.042 5.055 1.00 0.00 C ATOM 641 C VAL A 46 -1.396 3.268 5.566 1.00 0.00 C ATOM 642 O VAL A 46 -0.726 3.967 4.785 1.00 0.00 O ATOM 643 CB VAL A 46 -3.695 2.349 5.111 1.00 0.00 C ATOM 644 CG1 VAL A 46 -4.020 3.670 4.424 1.00 0.00 C ATOM 645 CG2 VAL A 46 -4.491 1.233 4.467 1.00 0.00 C ATOM 0 H VAL A 46 -2.622 0.375 6.251 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.880 1.839 4.022 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.973 2.426 6.162 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.093 3.855 4.480 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.486 4.480 4.921 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.714 3.621 3.379 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.554 1.468 4.518 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.192 1.128 3.424 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.301 0.299 4.995 1.00 0.00 H new ATOM 655 N ALA A 47 -1.484 3.509 6.871 1.00 0.00 N ATOM 656 CA ALA A 47 -0.848 4.658 7.502 1.00 0.00 C ATOM 657 C ALA A 47 0.658 4.636 7.295 1.00 0.00 C ATOM 658 O ALA A 47 1.260 5.660 6.915 1.00 0.00 O ATOM 659 CB ALA A 47 -1.186 4.710 8.983 1.00 0.00 C ATOM 0 H ALA A 47 -1.998 2.913 7.519 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.237 5.559 7.027 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.702 5.575 9.437 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.266 4.792 9.107 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.833 3.800 9.469 1.00 0.00 H new ATOM 665 N THR A 48 1.246 3.472 7.489 1.00 0.00 N ATOM 666 CA THR A 48 2.666 3.305 7.332 1.00 0.00 C ATOM 667 C THR A 48 3.071 3.501 5.865 1.00 0.00 C ATOM 668 O THR A 48 3.948 4.304 5.560 1.00 0.00 O ATOM 669 CB THR A 48 3.096 1.909 7.813 1.00 0.00 C ATOM 670 OG1 THR A 48 2.637 1.705 9.165 1.00 0.00 O ATOM 671 CG2 THR A 48 4.605 1.762 7.758 1.00 0.00 C ATOM 0 H THR A 48 0.750 2.622 7.759 1.00 0.00 H new ATOM 0 HA THR A 48 3.169 4.058 7.938 1.00 0.00 H new ATOM 0 HB THR A 48 2.653 1.161 7.156 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.830 1.149 9.156 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.886 0.767 8.103 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.947 1.901 6.732 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.067 2.512 8.399 1.00 0.00 H new ATOM 679 N ALA A 49 2.377 2.812 4.972 1.00 0.00 N ATOM 680 CA ALA A 49 2.668 2.847 3.551 1.00 0.00 C ATOM 681 C ALA A 49 2.594 4.257 2.980 1.00 0.00 C ATOM 682 O ALA A 49 3.494 4.669 2.248 1.00 0.00 O ATOM 683 CB ALA A 49 1.757 1.902 2.791 1.00 0.00 C ATOM 0 H ALA A 49 1.591 2.209 5.217 1.00 0.00 H new ATOM 0 HA ALA A 49 3.697 2.510 3.426 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.993 1.945 1.728 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.903 0.885 3.154 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.719 2.196 2.944 1.00 0.00 H new ATOM 689 N LYS A 50 1.559 5.026 3.345 1.00 0.00 N ATOM 690 CA LYS A 50 1.457 6.379 2.827 1.00 0.00 C ATOM 691 C LYS A 50 2.558 7.280 3.406 1.00 0.00 C ATOM 692 O LYS A 50 3.013 8.238 2.754 1.00 0.00 O ATOM 693 CB LYS A 50 0.067 7.021 3.033 1.00 0.00 C ATOM 694 CG LYS A 50 -0.322 7.320 4.478 1.00 0.00 C ATOM 695 CD LYS A 50 -1.482 8.319 4.545 1.00 0.00 C ATOM 696 CE LYS A 50 -2.773 7.784 3.932 1.00 0.00 C ATOM 697 NZ LYS A 50 -3.795 8.854 3.818 1.00 0.00 N ATOM 0 H LYS A 50 0.809 4.740 3.975 1.00 0.00 H new ATOM 0 HA LYS A 50 1.597 6.291 1.750 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.031 7.952 2.467 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.685 6.358 2.604 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.606 6.395 4.980 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.538 7.722 5.013 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.665 8.584 5.586 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.194 9.235 4.028 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.566 7.368 2.946 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.161 6.971 4.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.718 8.430 3.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.861 9.369 4.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.524 9.514 3.062 1.00 0.00 H new ATOM 711 N SER A 51 3.010 6.961 4.607 1.00 0.00 N ATOM 712 CA SER A 51 4.045 7.735 5.229 1.00 0.00 C ATOM 713 C SER A 51 5.395 7.397 4.567 1.00 0.00 C ATOM 714 O SER A 51 6.235 8.283 4.355 1.00 0.00 O ATOM 715 CB SER A 51 4.068 7.475 6.743 1.00 0.00 C ATOM 716 OG SER A 51 4.909 8.397 7.424 1.00 0.00 O ATOM 0 H SER A 51 2.672 6.174 5.160 1.00 0.00 H new ATOM 0 HA SER A 51 3.851 8.798 5.089 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.055 7.546 7.139 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.414 6.459 6.932 1.00 0.00 H new ATOM 0 HG SER A 51 4.898 8.202 8.384 1.00 0.00 H new ATOM 722 N LEU A 52 5.574 6.127 4.198 1.00 0.00 N ATOM 723 CA LEU A 52 6.780 5.670 3.522 1.00 0.00 C ATOM 724 C LEU A 52 6.874 6.284 2.135 1.00 0.00 C ATOM 725 O LEU A 52 7.952 6.682 1.711 1.00 0.00 O ATOM 726 CB LEU A 52 6.800 4.148 3.401 1.00 0.00 C ATOM 727 CG LEU A 52 6.731 3.360 4.702 1.00 0.00 C ATOM 728 CD1 LEU A 52 6.542 1.907 4.396 1.00 0.00 C ATOM 729 CD2 LEU A 52 7.989 3.546 5.528 1.00 0.00 C ATOM 0 H LEU A 52 4.886 5.392 4.361 1.00 0.00 H new ATOM 0 HA LEU A 52 7.634 5.986 4.120 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.961 3.845 2.774 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.711 3.860 2.876 1.00 0.00 H new ATOM 0 HG LEU A 52 5.887 3.733 5.282 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.493 1.343 5.327 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.615 1.770 3.839 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.381 1.549 3.799 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.907 2.970 6.450 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.852 3.200 4.959 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.113 4.602 5.769 1.00 0.00 H new ATOM 741 N ILE A 53 5.739 6.393 1.431 1.00 0.00 N ATOM 742 CA ILE A 53 5.749 6.986 0.092 1.00 0.00 C ATOM 743 C ILE A 53 5.990 8.489 0.170 1.00 0.00 C ATOM 744 O ILE A 53 6.447 9.105 -0.793 1.00 0.00 O ATOM 745 CB ILE A 53 4.474 6.688 -0.770 1.00 0.00 C ATOM 746 CG1 ILE A 53 3.246 7.388 -0.208 1.00 0.00 C ATOM 747 CG2 ILE A 53 4.231 5.195 -0.856 1.00 0.00 C ATOM 748 CD1 ILE A 53 1.973 7.186 -1.013 1.00 0.00 C ATOM 0 H ILE A 53 4.823 6.085 1.759 1.00 0.00 H new ATOM 0 HA ILE A 53 6.575 6.498 -0.426 1.00 0.00 H new ATOM 0 HB ILE A 53 4.653 7.077 -1.772 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.076 7.033 0.809 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.452 8.456 -0.143 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.342 5.005 -1.458 1.00 0.00 H new ATOM 0 HG22 ILE A 53 5.092 4.712 -1.318 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.084 4.792 0.146 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.152 7.722 -0.536 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.117 7.568 -2.024 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.735 6.123 -1.057 1.00 0.00 H new ATOM 760 N LYS A 54 5.672 9.073 1.314 1.00 0.00 N ATOM 761 CA LYS A 54 5.913 10.476 1.531 1.00 0.00 C ATOM 762 C LYS A 54 7.420 10.729 1.689 1.00 0.00 C ATOM 763 O LYS A 54 7.983 11.598 1.025 1.00 0.00 O ATOM 764 CB LYS A 54 5.129 10.981 2.764 1.00 0.00 C ATOM 765 CG LYS A 54 5.335 12.463 3.099 1.00 0.00 C ATOM 766 CD LYS A 54 4.907 13.394 1.963 1.00 0.00 C ATOM 767 CE LYS A 54 3.404 13.371 1.709 1.00 0.00 C ATOM 768 NZ LYS A 54 2.632 13.919 2.837 1.00 0.00 N ATOM 0 H LYS A 54 5.245 8.589 2.104 1.00 0.00 H new ATOM 0 HA LYS A 54 5.559 11.034 0.664 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.066 10.806 2.597 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.418 10.385 3.629 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.769 12.710 3.997 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.387 12.636 3.328 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.214 14.413 2.200 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.429 13.108 1.050 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.182 13.944 0.809 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.087 12.346 1.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.636 14.023 2.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.699 13.273 3.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.016 14.849 3.101 1.00 0.00 H new ATOM 782 N LYS A 55 8.071 9.936 2.520 1.00 0.00 N ATOM 783 CA LYS A 55 9.503 10.128 2.777 1.00 0.00 C ATOM 784 C LYS A 55 10.392 9.473 1.737 1.00 0.00 C ATOM 785 O LYS A 55 11.214 10.131 1.105 1.00 0.00 O ATOM 786 CB LYS A 55 9.910 9.683 4.205 1.00 0.00 C ATOM 787 CG LYS A 55 9.259 8.403 4.702 1.00 0.00 C ATOM 788 CD LYS A 55 9.647 8.077 6.142 1.00 0.00 C ATOM 789 CE LYS A 55 9.093 9.075 7.156 1.00 0.00 C ATOM 790 NZ LYS A 55 7.614 9.097 7.183 1.00 0.00 N ATOM 0 H LYS A 55 7.646 9.160 3.027 1.00 0.00 H new ATOM 0 HA LYS A 55 9.664 11.203 2.700 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.992 9.554 4.232 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.668 10.487 4.900 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.175 8.499 4.633 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.548 7.576 4.054 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.287 7.079 6.391 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.734 8.053 6.222 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.467 8.824 8.149 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.463 10.072 6.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.290 9.659 7.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.257 9.523 6.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.254 8.125 7.268 1.00 0.00 H new ATOM 804 N TYR A 56 10.211 8.205 1.556 1.00 0.00 N ATOM 805 CA TYR A 56 11.072 7.423 0.705 1.00 0.00 C ATOM 806 C TYR A 56 10.533 7.360 -0.704 1.00 0.00 C ATOM 807 O TYR A 56 11.283 7.458 -1.665 1.00 0.00 O ATOM 808 CB TYR A 56 11.204 6.031 1.281 1.00 0.00 C ATOM 809 CG TYR A 56 11.544 6.021 2.747 1.00 0.00 C ATOM 810 CD1 TYR A 56 12.564 6.807 3.261 1.00 0.00 C ATOM 811 CD2 TYR A 56 10.858 5.206 3.607 1.00 0.00 C ATOM 812 CE1 TYR A 56 12.886 6.764 4.590 1.00 0.00 C ATOM 813 CE2 TYR A 56 11.162 5.157 4.937 1.00 0.00 C ATOM 814 CZ TYR A 56 12.181 5.933 5.428 1.00 0.00 C ATOM 815 OH TYR A 56 12.500 5.867 6.752 1.00 0.00 O ATOM 0 H TYR A 56 9.459 7.672 1.993 1.00 0.00 H new ATOM 0 HA TYR A 56 12.052 7.897 0.662 1.00 0.00 H new ATOM 0 HB2 TYR A 56 10.269 5.493 1.129 1.00 0.00 H new ATOM 0 HB3 TYR A 56 11.976 5.491 0.733 1.00 0.00 H new ATOM 0 HD1 TYR A 56 13.113 7.463 2.602 1.00 0.00 H new ATOM 0 HD2 TYR A 56 10.059 4.588 3.225 1.00 0.00 H new ATOM 0 HE1 TYR A 56 13.686 7.377 4.977 1.00 0.00 H new ATOM 0 HE2 TYR A 56 10.604 4.511 5.599 1.00 0.00 H new ATOM 0 HH TYR A 56 11.903 5.233 7.201 1.00 0.00 H new ATOM 825 N GLY A 57 9.249 7.183 -0.831 1.00 0.00 N ATOM 826 CA GLY A 57 8.654 7.175 -2.136 1.00 0.00 C ATOM 827 C GLY A 57 7.809 5.958 -2.398 1.00 0.00 C ATOM 828 O GLY A 57 7.867 4.963 -1.654 1.00 0.00 O ATOM 0 H GLY A 57 8.600 7.044 -0.056 1.00 0.00 H new ATOM 0 HA2 GLY A 57 8.039 8.067 -2.253 1.00 0.00 H new ATOM 0 HA3 GLY A 57 9.442 7.230 -2.887 1.00 0.00 H new ATOM 832 N ALA A 58 7.026 6.050 -3.449 1.00 0.00 N ATOM 833 CA ALA A 58 6.103 5.018 -3.886 1.00 0.00 C ATOM 834 C ALA A 58 6.796 3.684 -4.143 1.00 0.00 C ATOM 835 O ALA A 58 6.349 2.637 -3.676 1.00 0.00 O ATOM 836 CB ALA A 58 5.376 5.500 -5.128 1.00 0.00 C ATOM 0 H ALA A 58 7.011 6.876 -4.048 1.00 0.00 H new ATOM 0 HA ALA A 58 5.388 4.838 -3.083 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.680 4.731 -5.464 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.825 6.412 -4.896 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.100 5.704 -5.917 1.00 0.00 H new ATOM 842 N LYS A 59 7.912 3.737 -4.829 1.00 0.00 N ATOM 843 CA LYS A 59 8.663 2.543 -5.189 1.00 0.00 C ATOM 844 C LYS A 59 9.257 1.869 -3.940 1.00 0.00 C ATOM 845 O LYS A 59 9.428 0.631 -3.887 1.00 0.00 O ATOM 846 CB LYS A 59 9.754 2.897 -6.207 1.00 0.00 C ATOM 847 CG LYS A 59 10.513 1.699 -6.754 1.00 0.00 C ATOM 848 CD LYS A 59 11.487 2.093 -7.856 1.00 0.00 C ATOM 849 CE LYS A 59 12.616 2.986 -7.357 1.00 0.00 C ATOM 850 NZ LYS A 59 13.596 3.291 -8.429 1.00 0.00 N ATOM 0 H LYS A 59 8.332 4.607 -5.157 1.00 0.00 H new ATOM 0 HA LYS A 59 7.983 1.827 -5.651 1.00 0.00 H new ATOM 0 HB2 LYS A 59 9.298 3.434 -7.039 1.00 0.00 H new ATOM 0 HB3 LYS A 59 10.464 3.579 -5.739 1.00 0.00 H new ATOM 0 HG2 LYS A 59 11.059 1.216 -5.944 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.804 0.967 -7.142 1.00 0.00 H new ATOM 0 HD2 LYS A 59 11.912 1.192 -8.298 1.00 0.00 H new ATOM 0 HD3 LYS A 59 10.944 2.610 -8.647 1.00 0.00 H new ATOM 0 HE2 LYS A 59 12.199 3.916 -6.971 1.00 0.00 H new ATOM 0 HE3 LYS A 59 13.126 2.497 -6.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 14.348 3.901 -8.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 14.013 2.405 -8.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 13.115 3.781 -9.210 1.00 0.00 H new ATOM 864 N TYR A 60 9.519 2.665 -2.918 1.00 0.00 N ATOM 865 CA TYR A 60 10.053 2.138 -1.691 1.00 0.00 C ATOM 866 C TYR A 60 9.001 1.300 -1.019 1.00 0.00 C ATOM 867 O TYR A 60 9.249 0.155 -0.625 1.00 0.00 O ATOM 868 CB TYR A 60 10.498 3.260 -0.741 1.00 0.00 C ATOM 869 CG TYR A 60 10.899 2.742 0.630 1.00 0.00 C ATOM 870 CD1 TYR A 60 9.945 2.537 1.623 1.00 0.00 C ATOM 871 CD2 TYR A 60 12.201 2.419 0.908 1.00 0.00 C ATOM 872 CE1 TYR A 60 10.283 2.029 2.845 1.00 0.00 C ATOM 873 CE2 TYR A 60 12.555 1.901 2.134 1.00 0.00 C ATOM 874 CZ TYR A 60 11.594 1.707 3.097 1.00 0.00 C ATOM 875 OH TYR A 60 11.953 1.190 4.320 1.00 0.00 O ATOM 0 H TYR A 60 9.369 3.674 -2.921 1.00 0.00 H new ATOM 0 HA TYR A 60 10.928 1.534 -1.929 1.00 0.00 H new ATOM 0 HB2 TYR A 60 11.339 3.793 -1.184 1.00 0.00 H new ATOM 0 HB3 TYR A 60 9.687 3.980 -0.630 1.00 0.00 H new ATOM 0 HD1 TYR A 60 8.913 2.786 1.422 1.00 0.00 H new ATOM 0 HD2 TYR A 60 12.960 2.573 0.155 1.00 0.00 H new ATOM 0 HE1 TYR A 60 9.529 1.882 3.604 1.00 0.00 H new ATOM 0 HE2 TYR A 60 13.585 1.648 2.338 1.00 0.00 H new ATOM 0 HH TYR A 60 12.917 1.017 4.331 1.00 0.00 H new ATOM 885 N ALA A 61 7.822 1.871 -0.905 1.00 0.00 N ATOM 886 CA ALA A 61 6.735 1.221 -0.240 1.00 0.00 C ATOM 887 C ALA A 61 6.314 -0.005 -0.983 1.00 0.00 C ATOM 888 O ALA A 61 5.902 -0.948 -0.377 1.00 0.00 O ATOM 889 CB ALA A 61 5.583 2.150 -0.048 1.00 0.00 C ATOM 0 H ALA A 61 7.599 2.796 -1.272 1.00 0.00 H new ATOM 0 HA ALA A 61 7.083 0.917 0.747 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.774 1.626 0.460 1.00 0.00 H new ATOM 0 HB2 ALA A 61 5.899 3.001 0.555 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.234 2.502 -1.019 1.00 0.00 H new ATOM 895 N ALA A 62 6.447 0.012 -2.305 1.00 0.00 N ATOM 896 CA ALA A 62 6.151 -1.160 -3.119 1.00 0.00 C ATOM 897 C ALA A 62 6.989 -2.350 -2.647 1.00 0.00 C ATOM 898 O ALA A 62 6.462 -3.444 -2.416 1.00 0.00 O ATOM 899 CB ALA A 62 6.408 -0.871 -4.592 1.00 0.00 C ATOM 0 H ALA A 62 6.758 0.826 -2.836 1.00 0.00 H new ATOM 0 HA ALA A 62 5.096 -1.408 -3.004 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.181 -1.759 -5.182 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.773 -0.047 -4.917 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.454 -0.600 -4.732 1.00 0.00 H new ATOM 905 N ALA A 63 8.280 -2.113 -2.443 1.00 0.00 N ATOM 906 CA ALA A 63 9.173 -3.162 -1.964 1.00 0.00 C ATOM 907 C ALA A 63 8.832 -3.539 -0.516 1.00 0.00 C ATOM 908 O ALA A 63 8.804 -4.725 -0.156 1.00 0.00 O ATOM 909 CB ALA A 63 10.623 -2.726 -2.080 1.00 0.00 C ATOM 0 H ALA A 63 8.729 -1.211 -2.600 1.00 0.00 H new ATOM 0 HA ALA A 63 9.033 -4.044 -2.589 1.00 0.00 H new ATOM 0 HB1 ALA A 63 11.273 -3.523 -1.717 1.00 0.00 H new ATOM 0 HB2 ALA A 63 10.857 -2.514 -3.123 1.00 0.00 H new ATOM 0 HB3 ALA A 63 10.782 -1.828 -1.483 1.00 0.00 H new ATOM 915 N TRP A 64 8.546 -2.532 0.294 1.00 0.00 N ATOM 916 CA TRP A 64 8.185 -2.731 1.696 1.00 0.00 C ATOM 917 C TRP A 64 6.903 -3.565 1.818 1.00 0.00 C ATOM 918 O TRP A 64 6.842 -4.524 2.608 1.00 0.00 O ATOM 919 CB TRP A 64 8.017 -1.372 2.405 1.00 0.00 C ATOM 920 CG TRP A 64 7.602 -1.478 3.847 1.00 0.00 C ATOM 921 CD1 TRP A 64 8.421 -1.566 4.926 1.00 0.00 C ATOM 922 CD2 TRP A 64 6.255 -1.500 4.360 1.00 0.00 C ATOM 923 NE1 TRP A 64 7.674 -1.641 6.080 1.00 0.00 N ATOM 924 CE2 TRP A 64 6.344 -1.602 5.757 1.00 0.00 C ATOM 925 CE3 TRP A 64 4.991 -1.440 3.771 1.00 0.00 C ATOM 926 CZ2 TRP A 64 5.213 -1.651 6.575 1.00 0.00 C ATOM 927 CZ3 TRP A 64 3.876 -1.485 4.584 1.00 0.00 C ATOM 928 CH2 TRP A 64 3.993 -1.588 5.965 1.00 0.00 C ATOM 0 H TRP A 64 8.556 -1.555 0.003 1.00 0.00 H new ATOM 0 HA TRP A 64 8.992 -3.279 2.182 1.00 0.00 H new ATOM 0 HB2 TRP A 64 8.959 -0.826 2.348 1.00 0.00 H new ATOM 0 HB3 TRP A 64 7.274 -0.783 1.867 1.00 0.00 H new ATOM 0 HD1 TRP A 64 9.500 -1.576 4.885 1.00 0.00 H new ATOM 0 HE1 TRP A 64 8.051 -1.714 7.025 1.00 0.00 H new ATOM 0 HE3 TRP A 64 4.887 -1.360 2.699 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 5.300 -1.735 7.648 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 2.893 -1.439 4.138 1.00 0.00 H new ATOM 0 HH2 TRP A 64 3.099 -1.619 6.570 1.00 0.00 H new