USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 441 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 52 THR OG1 : rot 180:sc= 0.48 USER MOD Set 1.2: A 62 ASN : amide:sc= 1.73 K(o=2.2,f=-0.061) USER MOD Single : A 1 SER N :NH3+ -127:sc= 0.571 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.22 USER MOD Single : A 3 THR OG1 : rot -170:sc= 0.132 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0411 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.134 USER MOD Single : A 11 SER OG : rot 47:sc= 0.881 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -145:sc= 2.52 (180deg=1.31) USER MOD Single : A 18 TYR OH : rot 30:sc= -0.021 USER MOD Single : A 21 GLN : amide:sc= -0.0428 K(o=-0.043,f=-2.6!) USER MOD Single : A 22 SER OG : rot 39:sc= 0.996 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0.03 USER MOD Single : A 38 SER OG : rot -170:sc= -0.645 USER MOD Single : A 39 GLN : amide:sc= 0.982 K(o=0.98,f=0) USER MOD Single : A 43 SER OG : rot 75:sc= 1.09 USER MOD Single : A 45 LYS NZ :NH3+ -139:sc= 1.56 (180deg=-4.93!) USER MOD Single : A 48 LYS NZ :NH3+ 178:sc= 0.626 (180deg=0.616) USER MOD Single : A 53 ASN : amide:sc= 1.4 K(o=1.4,f=-9.5!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.136 USER MOD Single : A 56 ASN : amide:sc= -0.0775 X(o=-0.077,f=-0.46) USER MOD Single : A 57 SER OG : rot 180:sc= 0.0873 USER MOD Single : A 65 ASN : amide:sc= -0.498 K(o=-0.5,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 14.653 5.950 4.891 1.00 0.00 N ATOM 2 CA SER A 1 14.614 7.050 3.904 1.00 0.00 C ATOM 3 C SER A 1 13.426 6.874 2.966 1.00 0.00 C ATOM 4 O SER A 1 12.574 6.008 3.190 1.00 0.00 O ATOM 5 CB SER A 1 15.922 7.074 3.110 1.00 0.00 C ATOM 6 OG SER A 1 16.624 5.849 3.253 1.00 0.00 O ATOM 0 H1 SER A 1 14.700 6.347 5.851 1.00 0.00 H new ATOM 0 H2 SER A 1 13.795 5.369 4.798 1.00 0.00 H new ATOM 0 H3 SER A 1 15.491 5.359 4.719 1.00 0.00 H new ATOM 0 HA SER A 1 14.500 7.999 4.429 1.00 0.00 H new ATOM 0 HB2 SER A 1 15.709 7.255 2.056 1.00 0.00 H new ATOM 0 HB3 SER A 1 16.546 7.898 3.455 1.00 0.00 H new ATOM 0 HG SER A 1 17.456 5.886 2.736 1.00 0.00 H new ATOM 14 N ALA A 2 13.365 7.690 1.920 1.00 0.00 N ATOM 15 CA ALA A 2 12.299 7.589 0.942 1.00 0.00 C ATOM 16 C ALA A 2 12.574 6.446 -0.029 1.00 0.00 C ATOM 17 O ALA A 2 13.426 6.554 -0.914 1.00 0.00 O ATOM 18 CB ALA A 2 12.137 8.903 0.196 1.00 0.00 C ATOM 0 H ALA A 2 14.044 8.428 1.731 1.00 0.00 H new ATOM 0 HA ALA A 2 11.366 7.376 1.465 1.00 0.00 H new ATOM 0 HB1 ALA A 2 11.333 8.810 -0.534 1.00 0.00 H new ATOM 0 HB2 ALA A 2 11.895 9.696 0.904 1.00 0.00 H new ATOM 0 HB3 ALA A 2 13.067 9.147 -0.317 1.00 0.00 H new ATOM 24 N THR A 3 11.867 5.346 0.164 1.00 0.00 N ATOM 25 CA THR A 3 12.000 4.169 -0.682 1.00 0.00 C ATOM 26 C THR A 3 11.331 4.384 -2.037 1.00 0.00 C ATOM 27 O THR A 3 10.241 4.947 -2.111 1.00 0.00 O ATOM 28 CB THR A 3 11.354 2.962 0.016 1.00 0.00 C ATOM 29 OG1 THR A 3 10.955 3.340 1.344 1.00 0.00 O ATOM 30 CG2 THR A 3 12.311 1.784 0.082 1.00 0.00 C ATOM 0 H THR A 3 11.183 5.242 0.913 1.00 0.00 H new ATOM 0 HA THR A 3 13.062 3.986 -0.847 1.00 0.00 H new ATOM 0 HB THR A 3 10.483 2.654 -0.563 1.00 0.00 H new ATOM 0 HG1 THR A 3 10.689 2.541 1.846 1.00 0.00 H new ATOM 0 HG21 THR A 3 11.824 0.947 0.581 1.00 0.00 H new ATOM 0 HG22 THR A 3 12.595 1.489 -0.928 1.00 0.00 H new ATOM 0 HG23 THR A 3 13.202 2.070 0.640 1.00 0.00 H new ATOM 38 N THR A 4 11.979 3.938 -3.106 1.00 0.00 N ATOM 39 CA THR A 4 11.400 4.040 -4.437 1.00 0.00 C ATOM 40 C THR A 4 10.344 2.957 -4.636 1.00 0.00 C ATOM 41 O THR A 4 10.564 1.792 -4.298 1.00 0.00 O ATOM 42 CB THR A 4 12.479 3.912 -5.530 1.00 0.00 C ATOM 43 OG1 THR A 4 13.780 4.115 -4.958 1.00 0.00 O ATOM 44 CG2 THR A 4 12.246 4.923 -6.643 1.00 0.00 C ATOM 0 H THR A 4 12.902 3.504 -3.077 1.00 0.00 H new ATOM 0 HA THR A 4 10.938 5.023 -4.523 1.00 0.00 H new ATOM 0 HB THR A 4 12.419 2.910 -5.954 1.00 0.00 H new ATOM 0 HG1 THR A 4 14.462 4.031 -5.657 1.00 0.00 H new ATOM 0 HG21 THR A 4 13.020 4.813 -7.402 1.00 0.00 H new ATOM 0 HG22 THR A 4 11.269 4.750 -7.093 1.00 0.00 H new ATOM 0 HG23 THR A 4 12.282 5.932 -6.232 1.00 0.00 H new ATOM 52 N ILE A 5 9.195 3.347 -5.165 1.00 0.00 N ATOM 53 CA ILE A 5 8.067 2.438 -5.272 1.00 0.00 C ATOM 54 C ILE A 5 7.828 1.972 -6.704 1.00 0.00 C ATOM 55 O ILE A 5 7.902 2.753 -7.658 1.00 0.00 O ATOM 56 CB ILE A 5 6.772 3.077 -4.734 1.00 0.00 C ATOM 57 CG1 ILE A 5 7.004 3.667 -3.341 1.00 0.00 C ATOM 58 CG2 ILE A 5 5.649 2.047 -4.704 1.00 0.00 C ATOM 59 CD1 ILE A 5 7.132 2.622 -2.255 1.00 0.00 C ATOM 0 H ILE A 5 9.020 4.285 -5.526 1.00 0.00 H new ATOM 0 HA ILE A 5 8.327 1.572 -4.663 1.00 0.00 H new ATOM 0 HB ILE A 5 6.479 3.887 -5.402 1.00 0.00 H new ATOM 0 HG12 ILE A 5 7.909 4.274 -3.359 1.00 0.00 H new ATOM 0 HG13 ILE A 5 6.178 4.334 -3.096 1.00 0.00 H new ATOM 0 HG21 ILE A 5 4.740 2.511 -4.322 1.00 0.00 H new ATOM 0 HG22 ILE A 5 5.470 1.674 -5.713 1.00 0.00 H new ATOM 0 HG23 ILE A 5 5.933 1.218 -4.056 1.00 0.00 H new ATOM 0 HD11 ILE A 5 7.295 3.113 -1.295 1.00 0.00 H new ATOM 0 HD12 ILE A 5 6.218 2.030 -2.210 1.00 0.00 H new ATOM 0 HD13 ILE A 5 7.976 1.969 -2.476 1.00 0.00 H new ATOM 71 N GLY A 6 7.550 0.686 -6.827 1.00 0.00 N ATOM 72 CA GLY A 6 7.133 0.105 -8.080 1.00 0.00 C ATOM 73 C GLY A 6 6.349 -1.163 -7.824 1.00 0.00 C ATOM 74 O GLY A 6 6.550 -1.798 -6.792 1.00 0.00 O ATOM 0 H GLY A 6 7.609 0.019 -6.057 1.00 0.00 H new ATOM 0 HA2 GLY A 6 6.520 0.816 -8.634 1.00 0.00 H new ATOM 0 HA3 GLY A 6 8.004 -0.114 -8.697 1.00 0.00 H new ATOM 78 N PRO A 7 5.418 -1.535 -8.714 1.00 0.00 N ATOM 79 CA PRO A 7 4.637 -2.780 -8.591 1.00 0.00 C ATOM 80 C PRO A 7 5.494 -4.047 -8.698 1.00 0.00 C ATOM 81 O PRO A 7 5.275 -4.891 -9.567 1.00 0.00 O ATOM 82 CB PRO A 7 3.649 -2.702 -9.757 1.00 0.00 C ATOM 83 CG PRO A 7 4.268 -1.753 -10.722 1.00 0.00 C ATOM 84 CD PRO A 7 5.010 -0.752 -9.888 1.00 0.00 C ATOM 0 HA PRO A 7 4.163 -2.854 -7.612 1.00 0.00 H new ATOM 0 HB2 PRO A 7 3.495 -3.681 -10.210 1.00 0.00 H new ATOM 0 HB3 PRO A 7 2.673 -2.347 -9.425 1.00 0.00 H new ATOM 0 HG2 PRO A 7 4.943 -2.272 -11.403 1.00 0.00 H new ATOM 0 HG3 PRO A 7 3.509 -1.266 -11.334 1.00 0.00 H new ATOM 0 HD2 PRO A 7 5.870 -0.343 -10.419 1.00 0.00 H new ATOM 0 HD3 PRO A 7 4.377 0.091 -9.611 1.00 0.00 H new ATOM 92 N ASN A 8 6.466 -4.159 -7.807 1.00 0.00 N ATOM 93 CA ASN A 8 7.333 -5.325 -7.738 1.00 0.00 C ATOM 94 C ASN A 8 7.597 -5.696 -6.286 1.00 0.00 C ATOM 95 O ASN A 8 7.870 -6.855 -5.972 1.00 0.00 O ATOM 96 CB ASN A 8 8.656 -5.051 -8.455 1.00 0.00 C ATOM 97 CG ASN A 8 9.436 -6.326 -8.727 1.00 0.00 C ATOM 98 OD1 ASN A 8 9.118 -7.073 -9.650 1.00 0.00 O ATOM 99 ND2 ASN A 8 10.461 -6.581 -7.928 1.00 0.00 N ATOM 0 H ASN A 8 6.676 -3.444 -7.111 1.00 0.00 H new ATOM 0 HA ASN A 8 6.833 -6.158 -8.233 1.00 0.00 H new ATOM 0 HB2 ASN A 8 8.458 -4.540 -9.397 1.00 0.00 H new ATOM 0 HB3 ASN A 8 9.263 -4.378 -7.849 1.00 0.00 H new ATOM 0 HD21 ASN A 8 11.019 -7.423 -8.068 1.00 0.00 H new ATOM 0 HD22 ASN A 8 10.692 -5.935 -7.173 1.00 0.00 H new ATOM 106 N THR A 9 7.513 -4.701 -5.401 1.00 0.00 N ATOM 107 CA THR A 9 7.709 -4.910 -3.971 1.00 0.00 C ATOM 108 C THR A 9 6.812 -6.031 -3.462 1.00 0.00 C ATOM 109 O THR A 9 7.281 -6.983 -2.836 1.00 0.00 O ATOM 110 CB THR A 9 7.402 -3.618 -3.195 1.00 0.00 C ATOM 111 OG1 THR A 9 7.233 -2.537 -4.123 1.00 0.00 O ATOM 112 CG2 THR A 9 8.519 -3.283 -2.220 1.00 0.00 C ATOM 0 H THR A 9 7.308 -3.735 -5.656 1.00 0.00 H new ATOM 0 HA THR A 9 8.750 -5.189 -3.811 1.00 0.00 H new ATOM 0 HB THR A 9 6.486 -3.768 -2.623 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.035 -1.712 -3.632 1.00 0.00 H new ATOM 0 HG21 THR A 9 8.273 -2.365 -1.687 1.00 0.00 H new ATOM 0 HG22 THR A 9 8.635 -4.098 -1.505 1.00 0.00 H new ATOM 0 HG23 THR A 9 9.451 -3.146 -2.768 1.00 0.00 H new ATOM 120 N CYS A 10 5.528 -5.920 -3.763 1.00 0.00 N ATOM 121 CA CYS A 10 4.563 -6.941 -3.399 1.00 0.00 C ATOM 122 C CYS A 10 3.512 -7.076 -4.493 1.00 0.00 C ATOM 123 O CYS A 10 3.029 -6.075 -5.031 1.00 0.00 O ATOM 124 CB CYS A 10 3.905 -6.610 -2.054 1.00 0.00 C ATOM 125 SG CYS A 10 5.031 -6.755 -0.623 1.00 0.00 S ATOM 0 H CYS A 10 5.129 -5.125 -4.263 1.00 0.00 H new ATOM 0 HA CYS A 10 5.083 -7.893 -3.294 1.00 0.00 H new ATOM 0 HB2 CYS A 10 3.512 -5.594 -2.093 1.00 0.00 H new ATOM 0 HB3 CYS A 10 3.055 -7.275 -1.903 1.00 0.00 H new ATOM 130 N SER A 11 3.190 -8.318 -4.833 1.00 0.00 N ATOM 131 CA SER A 11 2.212 -8.626 -5.863 1.00 0.00 C ATOM 132 C SER A 11 1.941 -10.122 -5.855 1.00 0.00 C ATOM 133 O SER A 11 1.645 -10.730 -6.882 1.00 0.00 O ATOM 134 CB SER A 11 2.705 -8.178 -7.244 1.00 0.00 C ATOM 135 OG SER A 11 2.228 -6.876 -7.550 1.00 0.00 O ATOM 0 H SER A 11 3.604 -9.143 -4.398 1.00 0.00 H new ATOM 0 HA SER A 11 1.290 -8.084 -5.652 1.00 0.00 H new ATOM 0 HB2 SER A 11 3.795 -8.186 -7.267 1.00 0.00 H new ATOM 0 HB3 SER A 11 2.365 -8.883 -8.003 1.00 0.00 H new ATOM 0 HG SER A 11 2.376 -6.285 -6.783 1.00 0.00 H new ATOM 141 N ILE A 12 2.070 -10.706 -4.671 1.00 0.00 N ATOM 142 CA ILE A 12 1.802 -12.121 -4.474 1.00 0.00 C ATOM 143 C ILE A 12 0.309 -12.330 -4.373 1.00 0.00 C ATOM 144 O ILE A 12 -0.335 -12.844 -5.289 1.00 0.00 O ATOM 145 CB ILE A 12 2.460 -12.651 -3.182 1.00 0.00 C ATOM 146 CG1 ILE A 12 3.412 -11.611 -2.583 1.00 0.00 C ATOM 147 CG2 ILE A 12 3.192 -13.945 -3.466 1.00 0.00 C ATOM 148 CD1 ILE A 12 3.275 -11.456 -1.084 1.00 0.00 C ATOM 0 H ILE A 12 2.362 -10.214 -3.826 1.00 0.00 H new ATOM 0 HA ILE A 12 2.219 -12.664 -5.322 1.00 0.00 H new ATOM 0 HB ILE A 12 1.676 -12.844 -2.450 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.438 -11.892 -2.818 1.00 0.00 H new ATOM 0 HG13 ILE A 12 3.229 -10.647 -3.058 1.00 0.00 H new ATOM 0 HG21 ILE A 12 3.653 -14.311 -2.549 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.487 -14.688 -3.839 1.00 0.00 H new ATOM 0 HG23 ILE A 12 3.964 -13.769 -4.215 1.00 0.00 H new ATOM 0 HD11 ILE A 12 3.980 -10.703 -0.730 1.00 0.00 H new ATOM 0 HD12 ILE A 12 2.259 -11.144 -0.842 1.00 0.00 H new ATOM 0 HD13 ILE A 12 3.488 -12.409 -0.599 1.00 0.00 H new ATOM 160 N ASP A 13 -0.227 -11.925 -3.240 1.00 0.00 N ATOM 161 CA ASP A 13 -1.657 -11.818 -3.062 1.00 0.00 C ATOM 162 C ASP A 13 -2.095 -10.471 -3.618 1.00 0.00 C ATOM 163 O ASP A 13 -1.349 -9.836 -4.365 1.00 0.00 O ATOM 164 CB ASP A 13 -1.995 -11.918 -1.569 1.00 0.00 C ATOM 165 CG ASP A 13 -3.392 -12.440 -1.297 1.00 0.00 C ATOM 166 OD1 ASP A 13 -4.298 -12.212 -2.123 1.00 0.00 O ATOM 167 OD2 ASP A 13 -3.597 -13.059 -0.235 1.00 0.00 O ATOM 0 H ASP A 13 0.317 -11.661 -2.419 1.00 0.00 H new ATOM 0 HA ASP A 13 -2.176 -12.622 -3.584 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -1.271 -12.573 -1.084 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -1.889 -10.933 -1.114 1.00 0.00 H new ATOM 172 N ASP A 14 -3.273 -10.013 -3.239 1.00 0.00 N ATOM 173 CA ASP A 14 -3.700 -8.662 -3.581 1.00 0.00 C ATOM 174 C ASP A 14 -3.003 -7.657 -2.662 1.00 0.00 C ATOM 175 O ASP A 14 -3.600 -6.693 -2.189 1.00 0.00 O ATOM 176 CB ASP A 14 -5.225 -8.528 -3.473 1.00 0.00 C ATOM 177 CG ASP A 14 -5.748 -7.232 -4.068 1.00 0.00 C ATOM 178 OD1 ASP A 14 -5.179 -6.756 -5.074 1.00 0.00 O ATOM 179 OD2 ASP A 14 -6.735 -6.682 -3.528 1.00 0.00 O ATOM 0 H ASP A 14 -3.950 -10.550 -2.697 1.00 0.00 H new ATOM 0 HA ASP A 14 -3.420 -8.454 -4.614 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -5.696 -9.371 -3.980 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.516 -8.584 -2.424 1.00 0.00 H new ATOM 184 N TYR A 15 -1.724 -7.910 -2.409 1.00 0.00 N ATOM 185 CA TYR A 15 -0.918 -7.057 -1.557 1.00 0.00 C ATOM 186 C TYR A 15 -0.244 -5.985 -2.393 1.00 0.00 C ATOM 187 O TYR A 15 0.900 -6.144 -2.816 1.00 0.00 O ATOM 188 CB TYR A 15 0.144 -7.885 -0.831 1.00 0.00 C ATOM 189 CG TYR A 15 -0.373 -8.644 0.368 1.00 0.00 C ATOM 190 CD1 TYR A 15 -1.628 -8.379 0.905 1.00 0.00 C ATOM 191 CD2 TYR A 15 0.401 -9.626 0.971 1.00 0.00 C ATOM 192 CE1 TYR A 15 -2.097 -9.078 2.001 1.00 0.00 C ATOM 193 CE2 TYR A 15 -0.061 -10.328 2.064 1.00 0.00 C ATOM 194 CZ TYR A 15 -1.308 -10.050 2.580 1.00 0.00 C ATOM 195 OH TYR A 15 -1.771 -10.750 3.669 1.00 0.00 O ATOM 0 H TYR A 15 -1.221 -8.712 -2.790 1.00 0.00 H new ATOM 0 HA TYR A 15 -1.566 -6.586 -0.818 1.00 0.00 H new ATOM 0 HB2 TYR A 15 0.579 -8.594 -1.535 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.947 -7.222 -0.508 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -2.246 -7.614 0.458 1.00 0.00 H new ATOM 0 HD2 TYR A 15 1.383 -9.844 0.577 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -3.077 -8.864 2.402 1.00 0.00 H new ATOM 0 HE2 TYR A 15 0.553 -11.094 2.515 1.00 0.00 H new ATOM 0 HH TYR A 15 -1.093 -11.398 3.954 1.00 0.00 H new ATOM 205 N LYS A 16 -0.960 -4.905 -2.638 1.00 0.00 N ATOM 206 CA LYS A 16 -0.429 -3.809 -3.426 1.00 0.00 C ATOM 207 C LYS A 16 0.481 -2.949 -2.557 1.00 0.00 C ATOM 208 O LYS A 16 0.296 -2.884 -1.339 1.00 0.00 O ATOM 209 CB LYS A 16 -1.568 -2.971 -4.020 1.00 0.00 C ATOM 210 CG LYS A 16 -2.791 -2.872 -3.121 1.00 0.00 C ATOM 211 CD LYS A 16 -4.000 -3.574 -3.722 1.00 0.00 C ATOM 212 CE LYS A 16 -5.163 -3.613 -2.741 1.00 0.00 C ATOM 213 NZ LYS A 16 -6.436 -4.022 -3.395 1.00 0.00 N ATOM 0 H LYS A 16 -1.913 -4.763 -2.302 1.00 0.00 H new ATOM 0 HA LYS A 16 0.154 -4.214 -4.253 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.198 -1.967 -4.226 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.865 -3.404 -4.975 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.563 -3.311 -2.150 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.030 -1.823 -2.949 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.307 -3.059 -4.632 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.728 -4.590 -4.007 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.932 -4.308 -1.933 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.288 -2.629 -2.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -7.230 -3.511 -2.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -6.394 -3.796 -4.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -6.575 -5.046 -3.274 1.00 0.00 H new ATOM 227 N PRO A 17 1.495 -2.308 -3.157 1.00 0.00 N ATOM 228 CA PRO A 17 2.435 -1.464 -2.417 1.00 0.00 C ATOM 229 C PRO A 17 1.742 -0.266 -1.782 1.00 0.00 C ATOM 230 O PRO A 17 1.011 0.474 -2.447 1.00 0.00 O ATOM 231 CB PRO A 17 3.442 -1.010 -3.481 1.00 0.00 C ATOM 232 CG PRO A 17 2.735 -1.187 -4.782 1.00 0.00 C ATOM 233 CD PRO A 17 1.811 -2.358 -4.594 1.00 0.00 C ATOM 0 HA PRO A 17 2.901 -1.999 -1.590 1.00 0.00 H new ATOM 0 HB2 PRO A 17 3.735 0.029 -3.329 1.00 0.00 H new ATOM 0 HB3 PRO A 17 4.353 -1.607 -3.442 1.00 0.00 H new ATOM 0 HG2 PRO A 17 2.178 -0.289 -5.049 1.00 0.00 H new ATOM 0 HG3 PRO A 17 3.443 -1.374 -5.589 1.00 0.00 H new ATOM 0 HD2 PRO A 17 0.914 -2.266 -5.207 1.00 0.00 H new ATOM 0 HD3 PRO A 17 2.290 -3.298 -4.869 1.00 0.00 H new ATOM 241 N TYR A 18 1.968 -0.086 -0.495 1.00 0.00 N ATOM 242 CA TYR A 18 1.293 0.957 0.251 1.00 0.00 C ATOM 243 C TYR A 18 2.271 1.758 1.093 1.00 0.00 C ATOM 244 O TYR A 18 3.293 1.243 1.539 1.00 0.00 O ATOM 245 CB TYR A 18 0.227 0.333 1.145 1.00 0.00 C ATOM 246 CG TYR A 18 -1.118 0.211 0.478 1.00 0.00 C ATOM 247 CD1 TYR A 18 -1.811 1.339 0.068 1.00 0.00 C ATOM 248 CD2 TYR A 18 -1.690 -1.030 0.254 1.00 0.00 C ATOM 249 CE1 TYR A 18 -3.038 1.232 -0.548 1.00 0.00 C ATOM 250 CE2 TYR A 18 -2.915 -1.147 -0.362 1.00 0.00 C ATOM 251 CZ TYR A 18 -3.589 -0.014 -0.763 1.00 0.00 C ATOM 252 OH TYR A 18 -4.814 -0.128 -1.387 1.00 0.00 O ATOM 0 H TYR A 18 2.615 -0.650 0.056 1.00 0.00 H new ATOM 0 HA TYR A 18 0.827 1.640 -0.459 1.00 0.00 H new ATOM 0 HB2 TYR A 18 0.560 -0.657 1.458 1.00 0.00 H new ATOM 0 HB3 TYR A 18 0.123 0.935 2.048 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -1.382 2.316 0.234 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -1.166 -1.921 0.568 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -3.567 2.120 -0.861 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -3.346 -2.123 -0.530 1.00 0.00 H new ATOM 0 HH TYR A 18 -4.935 0.619 -2.009 1.00 0.00 H new ATOM 262 N CYS A 19 1.951 3.021 1.306 1.00 0.00 N ATOM 263 CA CYS A 19 2.753 3.889 2.150 1.00 0.00 C ATOM 264 C CYS A 19 1.997 4.198 3.437 1.00 0.00 C ATOM 265 O CYS A 19 1.357 5.238 3.556 1.00 0.00 O ATOM 266 CB CYS A 19 3.087 5.186 1.407 1.00 0.00 C ATOM 267 SG CYS A 19 4.811 5.738 1.600 1.00 0.00 S ATOM 0 H CYS A 19 1.131 3.473 0.901 1.00 0.00 H new ATOM 0 HA CYS A 19 3.685 3.382 2.399 1.00 0.00 H new ATOM 0 HB2 CYS A 19 2.879 5.047 0.346 1.00 0.00 H new ATOM 0 HB3 CYS A 19 2.423 5.975 1.761 1.00 0.00 H new ATOM 272 N CYS A 20 2.048 3.272 4.381 1.00 0.00 N ATOM 273 CA CYS A 20 1.335 3.423 5.637 1.00 0.00 C ATOM 274 C CYS A 20 2.085 4.349 6.579 1.00 0.00 C ATOM 275 O CYS A 20 3.085 3.970 7.193 1.00 0.00 O ATOM 276 CB CYS A 20 1.105 2.063 6.290 1.00 0.00 C ATOM 277 SG CYS A 20 -0.434 1.258 5.747 1.00 0.00 S ATOM 0 H CYS A 20 2.578 2.405 4.299 1.00 0.00 H new ATOM 0 HA CYS A 20 0.365 3.872 5.424 1.00 0.00 H new ATOM 0 HB2 CYS A 20 1.948 1.411 6.063 1.00 0.00 H new ATOM 0 HB3 CYS A 20 1.080 2.187 7.373 1.00 0.00 H new ATOM 282 N GLN A 21 1.589 5.570 6.671 1.00 0.00 N ATOM 283 CA GLN A 21 2.199 6.591 7.499 1.00 0.00 C ATOM 284 C GLN A 21 1.886 6.354 8.977 1.00 0.00 C ATOM 285 O GLN A 21 0.746 6.522 9.421 1.00 0.00 O ATOM 286 CB GLN A 21 1.710 7.969 7.045 1.00 0.00 C ATOM 287 CG GLN A 21 2.189 9.119 7.907 1.00 0.00 C ATOM 288 CD GLN A 21 3.702 9.165 8.060 1.00 0.00 C ATOM 289 OE1 GLN A 21 4.276 8.453 8.882 1.00 0.00 O ATOM 290 NE2 GLN A 21 4.355 10.001 7.269 1.00 0.00 N ATOM 0 H GLN A 21 0.754 5.880 6.174 1.00 0.00 H new ATOM 0 HA GLN A 21 3.282 6.545 7.386 1.00 0.00 H new ATOM 0 HB2 GLN A 21 2.039 8.138 6.020 1.00 0.00 H new ATOM 0 HB3 GLN A 21 0.620 7.969 7.034 1.00 0.00 H new ATOM 0 HG2 GLN A 21 1.846 10.058 7.472 1.00 0.00 H new ATOM 0 HG3 GLN A 21 1.733 9.039 8.894 1.00 0.00 H new ATOM 0 HE21 GLN A 21 3.843 10.575 6.600 1.00 0.00 H new ATOM 0 HE22 GLN A 21 5.371 10.071 7.329 1.00 0.00 H new ATOM 299 N SER A 22 2.910 5.935 9.714 1.00 0.00 N ATOM 300 CA SER A 22 2.820 5.719 11.151 1.00 0.00 C ATOM 301 C SER A 22 4.221 5.531 11.725 1.00 0.00 C ATOM 302 O SER A 22 5.111 5.013 11.047 1.00 0.00 O ATOM 303 CB SER A 22 1.955 4.493 11.469 1.00 0.00 C ATOM 304 OG SER A 22 0.580 4.839 11.543 1.00 0.00 O ATOM 0 H SER A 22 3.832 5.735 9.326 1.00 0.00 H new ATOM 0 HA SER A 22 2.351 6.592 11.606 1.00 0.00 H new ATOM 0 HB2 SER A 22 2.101 3.733 10.701 1.00 0.00 H new ATOM 0 HB3 SER A 22 2.274 4.055 12.415 1.00 0.00 H new ATOM 0 HG SER A 22 0.370 5.494 10.845 1.00 0.00 H new ATOM 310 N MET A 23 4.424 5.966 12.960 1.00 0.00 N ATOM 311 CA MET A 23 5.726 5.851 13.601 1.00 0.00 C ATOM 312 C MET A 23 5.710 4.737 14.639 1.00 0.00 C ATOM 313 O MET A 23 6.643 3.938 14.726 1.00 0.00 O ATOM 314 CB MET A 23 6.117 7.174 14.261 1.00 0.00 C ATOM 315 CG MET A 23 6.816 8.144 13.319 1.00 0.00 C ATOM 316 SD MET A 23 6.064 9.783 13.324 1.00 0.00 S ATOM 317 CE MET A 23 5.438 9.875 11.648 1.00 0.00 C ATOM 0 H MET A 23 3.705 6.401 13.538 1.00 0.00 H new ATOM 0 HA MET A 23 6.464 5.609 12.836 1.00 0.00 H new ATOM 0 HB2 MET A 23 5.221 7.650 14.659 1.00 0.00 H new ATOM 0 HB3 MET A 23 6.772 6.968 15.108 1.00 0.00 H new ATOM 0 HG2 MET A 23 7.865 8.229 13.604 1.00 0.00 H new ATOM 0 HG3 MET A 23 6.793 7.741 12.306 1.00 0.00 H new ATOM 0 HE1 MET A 23 4.944 10.835 11.496 1.00 0.00 H new ATOM 0 HE2 MET A 23 6.265 9.778 10.945 1.00 0.00 H new ATOM 0 HE3 MET A 23 4.724 9.069 11.482 1.00 0.00 H new ATOM 327 N SER A 24 4.648 4.695 15.427 1.00 0.00 N ATOM 328 CA SER A 24 4.479 3.650 16.422 1.00 0.00 C ATOM 329 C SER A 24 3.004 3.267 16.545 1.00 0.00 C ATOM 330 O SER A 24 2.573 2.249 16.000 1.00 0.00 O ATOM 331 CB SER A 24 5.032 4.110 17.775 1.00 0.00 C ATOM 332 OG SER A 24 5.353 5.496 17.758 1.00 0.00 O ATOM 0 H SER A 24 3.888 5.375 15.396 1.00 0.00 H new ATOM 0 HA SER A 24 5.037 2.770 16.103 1.00 0.00 H new ATOM 0 HB2 SER A 24 4.297 3.914 18.556 1.00 0.00 H new ATOM 0 HB3 SER A 24 5.922 3.531 18.022 1.00 0.00 H new ATOM 0 HG SER A 24 5.702 5.762 18.634 1.00 0.00 H new ATOM 338 N GLY A 25 2.231 4.090 17.246 1.00 0.00 N ATOM 339 CA GLY A 25 0.821 3.805 17.420 1.00 0.00 C ATOM 340 C GLY A 25 0.038 5.013 17.893 1.00 0.00 C ATOM 341 O GLY A 25 -0.360 5.089 19.057 1.00 0.00 O ATOM 0 H GLY A 25 2.556 4.946 17.695 1.00 0.00 H new ATOM 0 HA2 GLY A 25 0.405 3.454 16.475 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.704 2.995 18.140 1.00 0.00 H new ATOM 345 N SER A 26 -0.184 5.957 16.994 1.00 0.00 N ATOM 346 CA SER A 26 -0.948 7.152 17.317 1.00 0.00 C ATOM 347 C SER A 26 -2.406 6.971 16.911 1.00 0.00 C ATOM 348 O SER A 26 -3.316 7.445 17.592 1.00 0.00 O ATOM 349 CB SER A 26 -0.338 8.363 16.612 1.00 0.00 C ATOM 350 OG SER A 26 1.079 8.285 16.617 1.00 0.00 O ATOM 0 H SER A 26 0.154 5.920 16.033 1.00 0.00 H new ATOM 0 HA SER A 26 -0.912 7.320 18.393 1.00 0.00 H new ATOM 0 HB2 SER A 26 -0.701 8.413 15.585 1.00 0.00 H new ATOM 0 HB3 SER A 26 -0.659 9.279 17.109 1.00 0.00 H new ATOM 0 HG SER A 26 1.451 9.068 16.160 1.00 0.00 H new ATOM 356 N ALA A 27 -2.610 6.286 15.795 1.00 0.00 N ATOM 357 CA ALA A 27 -3.931 5.939 15.317 1.00 0.00 C ATOM 358 C ALA A 27 -3.802 4.787 14.334 1.00 0.00 C ATOM 359 O ALA A 27 -2.898 3.958 14.459 1.00 0.00 O ATOM 360 CB ALA A 27 -4.604 7.141 14.666 1.00 0.00 C ATOM 0 H ALA A 27 -1.855 5.955 15.195 1.00 0.00 H new ATOM 0 HA ALA A 27 -4.558 5.634 16.155 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -5.596 6.856 14.314 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -4.695 7.946 15.395 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.004 7.481 13.822 1.00 0.00 H new ATOM 366 N SER A 28 -4.677 4.752 13.354 1.00 0.00 N ATOM 367 CA SER A 28 -4.588 3.769 12.291 1.00 0.00 C ATOM 368 C SER A 28 -3.508 4.193 11.300 1.00 0.00 C ATOM 369 O SER A 28 -3.111 5.361 11.274 1.00 0.00 O ATOM 370 CB SER A 28 -5.936 3.631 11.584 1.00 0.00 C ATOM 371 OG SER A 28 -6.991 4.128 12.395 1.00 0.00 O ATOM 0 H SER A 28 -5.464 5.396 13.269 1.00 0.00 H new ATOM 0 HA SER A 28 -4.324 2.800 12.716 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.912 4.174 10.639 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.119 2.584 11.345 1.00 0.00 H new ATOM 0 HG SER A 28 -7.843 4.030 11.920 1.00 0.00 H new ATOM 377 N LEU A 29 -3.039 3.263 10.486 1.00 0.00 N ATOM 378 CA LEU A 29 -1.963 3.566 9.555 1.00 0.00 C ATOM 379 C LEU A 29 -2.513 4.291 8.337 1.00 0.00 C ATOM 380 O LEU A 29 -3.299 3.733 7.570 1.00 0.00 O ATOM 381 CB LEU A 29 -1.215 2.301 9.112 1.00 0.00 C ATOM 382 CG LEU A 29 -1.666 0.982 9.743 1.00 0.00 C ATOM 383 CD1 LEU A 29 -1.869 -0.063 8.666 1.00 0.00 C ATOM 384 CD2 LEU A 29 -0.646 0.508 10.767 1.00 0.00 C ATOM 0 H LEU A 29 -3.381 2.303 10.449 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.253 4.209 10.075 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.309 2.211 8.030 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.156 2.438 9.329 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.614 1.141 10.257 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.190 -0.999 9.123 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -2.631 0.279 7.966 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.932 -0.222 8.132 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.981 -0.431 11.207 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.317 0.357 10.279 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.541 1.258 11.551 1.00 0.00 H new ATOM 396 N GLY A 30 -2.103 5.543 8.173 1.00 0.00 N ATOM 397 CA GLY A 30 -2.548 6.322 7.040 1.00 0.00 C ATOM 398 C GLY A 30 -1.794 5.955 5.785 1.00 0.00 C ATOM 399 O GLY A 30 -0.778 6.565 5.456 1.00 0.00 O ATOM 0 H GLY A 30 -1.470 6.030 8.807 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.615 6.163 6.884 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -2.412 7.383 7.250 1.00 0.00 H new ATOM 403 N CYS A 31 -2.274 4.932 5.110 1.00 0.00 N ATOM 404 CA CYS A 31 -1.632 4.421 3.921 1.00 0.00 C ATOM 405 C CYS A 31 -2.059 5.192 2.676 1.00 0.00 C ATOM 406 O CYS A 31 -3.200 5.634 2.558 1.00 0.00 O ATOM 407 CB CYS A 31 -1.992 2.944 3.749 1.00 0.00 C ATOM 408 SG CYS A 31 -0.579 1.801 3.800 1.00 0.00 S ATOM 0 H CYS A 31 -3.123 4.431 5.372 1.00 0.00 H new ATOM 0 HA CYS A 31 -0.555 4.540 4.039 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -2.696 2.663 4.532 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -2.508 2.819 2.797 1.00 0.00 H new ATOM 413 N VAL A 32 -1.118 5.370 1.769 1.00 0.00 N ATOM 414 CA VAL A 32 -1.411 5.855 0.430 1.00 0.00 C ATOM 415 C VAL A 32 -0.879 4.843 -0.568 1.00 0.00 C ATOM 416 O VAL A 32 -0.013 4.041 -0.218 1.00 0.00 O ATOM 417 CB VAL A 32 -0.774 7.234 0.140 1.00 0.00 C ATOM 418 CG1 VAL A 32 -1.855 8.282 -0.074 1.00 0.00 C ATOM 419 CG2 VAL A 32 0.173 7.658 1.257 1.00 0.00 C ATOM 0 H VAL A 32 -0.129 5.183 1.937 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.491 5.977 0.345 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.186 7.145 -0.774 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.391 9.247 -0.277 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.479 7.994 -0.920 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.471 8.357 0.822 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.603 8.631 1.020 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.377 7.723 2.196 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.972 6.923 1.355 1.00 0.00 H new ATOM 429 N VAL A 33 -1.393 4.854 -1.788 1.00 0.00 N ATOM 430 CA VAL A 33 -0.928 3.919 -2.802 1.00 0.00 C ATOM 431 C VAL A 33 0.534 4.186 -3.121 1.00 0.00 C ATOM 432 O VAL A 33 0.936 5.339 -3.291 1.00 0.00 O ATOM 433 CB VAL A 33 -1.758 4.007 -4.105 1.00 0.00 C ATOM 434 CG1 VAL A 33 -1.157 3.130 -5.201 1.00 0.00 C ATOM 435 CG2 VAL A 33 -3.204 3.615 -3.844 1.00 0.00 C ATOM 0 H VAL A 33 -2.125 5.493 -2.099 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.050 2.915 -2.394 1.00 0.00 H new ATOM 0 HB VAL A 33 -1.734 5.041 -4.449 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.761 3.212 -6.105 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.140 3.459 -5.413 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.141 2.092 -4.868 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.772 3.683 -4.772 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.242 2.592 -3.469 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.636 4.289 -3.104 1.00 0.00 H new ATOM 445 N GLY A 34 1.329 3.125 -3.166 1.00 0.00 N ATOM 446 CA GLY A 34 2.714 3.258 -3.548 1.00 0.00 C ATOM 447 C GLY A 34 2.846 3.921 -4.899 1.00 0.00 C ATOM 448 O GLY A 34 2.329 3.416 -5.897 1.00 0.00 O ATOM 0 H GLY A 34 1.035 2.174 -2.943 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.246 3.844 -2.799 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.183 2.274 -3.575 1.00 0.00 H new ATOM 452 N VAL A 35 3.522 5.057 -4.927 1.00 0.00 N ATOM 453 CA VAL A 35 3.623 5.843 -6.140 1.00 0.00 C ATOM 454 C VAL A 35 4.660 5.253 -7.081 1.00 0.00 C ATOM 455 O VAL A 35 5.866 5.326 -6.831 1.00 0.00 O ATOM 456 CB VAL A 35 3.969 7.319 -5.844 1.00 0.00 C ATOM 457 CG1 VAL A 35 2.780 8.216 -6.155 1.00 0.00 C ATOM 458 CG2 VAL A 35 4.416 7.504 -4.400 1.00 0.00 C ATOM 0 H VAL A 35 4.008 5.454 -4.123 1.00 0.00 H new ATOM 0 HA VAL A 35 2.644 5.814 -6.619 1.00 0.00 H new ATOM 0 HB VAL A 35 4.800 7.605 -6.489 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.040 9.253 -5.941 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.516 8.118 -7.208 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.931 7.921 -5.539 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.652 8.553 -4.224 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.615 7.195 -3.729 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.301 6.896 -4.213 1.00 0.00 H new ATOM 468 N ILE A 36 4.172 4.669 -8.165 1.00 0.00 N ATOM 469 CA ILE A 36 5.015 3.977 -9.124 1.00 0.00 C ATOM 470 C ILE A 36 5.965 4.950 -9.809 1.00 0.00 C ATOM 471 O ILE A 36 5.537 5.878 -10.496 1.00 0.00 O ATOM 472 CB ILE A 36 4.163 3.234 -10.178 1.00 0.00 C ATOM 473 CG1 ILE A 36 3.312 2.159 -9.496 1.00 0.00 C ATOM 474 CG2 ILE A 36 5.048 2.609 -11.250 1.00 0.00 C ATOM 475 CD1 ILE A 36 1.838 2.491 -9.435 1.00 0.00 C ATOM 0 H ILE A 36 3.180 4.662 -8.403 1.00 0.00 H new ATOM 0 HA ILE A 36 5.604 3.241 -8.577 1.00 0.00 H new ATOM 0 HB ILE A 36 3.505 3.955 -10.662 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.440 1.216 -10.028 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.682 2.006 -8.482 1.00 0.00 H new ATOM 0 HG21 ILE A 36 4.425 2.092 -11.980 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.621 3.390 -11.750 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.732 1.897 -10.788 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.303 1.682 -8.938 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.696 3.416 -8.877 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.451 2.615 -10.446 1.00 0.00 H new ATOM 487 N GLY A 37 7.255 4.748 -9.588 1.00 0.00 N ATOM 488 CA GLY A 37 8.254 5.615 -10.172 1.00 0.00 C ATOM 489 C GLY A 37 8.592 6.775 -9.261 1.00 0.00 C ATOM 490 O GLY A 37 9.406 7.634 -9.602 1.00 0.00 O ATOM 0 H GLY A 37 7.628 3.994 -9.011 1.00 0.00 H new ATOM 0 HA2 GLY A 37 9.157 5.041 -10.380 1.00 0.00 H new ATOM 0 HA3 GLY A 37 7.892 5.996 -11.127 1.00 0.00 H new ATOM 494 N SER A 38 7.960 6.804 -8.102 1.00 0.00 N ATOM 495 CA SER A 38 8.196 7.856 -7.131 1.00 0.00 C ATOM 496 C SER A 38 8.706 7.257 -5.824 1.00 0.00 C ATOM 497 O SER A 38 8.971 6.054 -5.751 1.00 0.00 O ATOM 498 CB SER A 38 6.907 8.647 -6.909 1.00 0.00 C ATOM 499 OG SER A 38 6.071 8.581 -8.057 1.00 0.00 O ATOM 0 H SER A 38 7.276 6.107 -7.809 1.00 0.00 H new ATOM 0 HA SER A 38 8.958 8.537 -7.509 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.376 8.251 -6.044 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.147 9.687 -6.687 1.00 0.00 H new ATOM 0 HG SER A 38 5.331 9.216 -7.959 1.00 0.00 H new ATOM 505 N GLN A 39 8.849 8.083 -4.800 1.00 0.00 N ATOM 506 CA GLN A 39 9.390 7.625 -3.531 1.00 0.00 C ATOM 507 C GLN A 39 8.350 7.708 -2.422 1.00 0.00 C ATOM 508 O GLN A 39 7.535 8.631 -2.384 1.00 0.00 O ATOM 509 CB GLN A 39 10.623 8.445 -3.152 1.00 0.00 C ATOM 510 CG GLN A 39 11.932 7.786 -3.546 1.00 0.00 C ATOM 511 CD GLN A 39 13.079 8.771 -3.627 1.00 0.00 C ATOM 512 OE1 GLN A 39 13.115 9.630 -4.506 1.00 0.00 O ATOM 513 NE2 GLN A 39 14.024 8.652 -2.714 1.00 0.00 N ATOM 0 H GLN A 39 8.599 9.072 -4.823 1.00 0.00 H new ATOM 0 HA GLN A 39 9.677 6.580 -3.650 1.00 0.00 H new ATOM 0 HB2 GLN A 39 10.560 9.423 -3.629 1.00 0.00 H new ATOM 0 HB3 GLN A 39 10.620 8.614 -2.075 1.00 0.00 H new ATOM 0 HG2 GLN A 39 12.176 7.009 -2.821 1.00 0.00 H new ATOM 0 HG3 GLN A 39 11.811 7.295 -4.512 1.00 0.00 H new ATOM 0 HE21 GLN A 39 13.956 7.925 -2.001 1.00 0.00 H new ATOM 0 HE22 GLN A 39 14.822 9.287 -2.721 1.00 0.00 H new ATOM 522 N CYS A 40 8.386 6.737 -1.525 1.00 0.00 N ATOM 523 CA CYS A 40 7.475 6.693 -0.391 1.00 0.00 C ATOM 524 C CYS A 40 7.858 7.737 0.650 1.00 0.00 C ATOM 525 O CYS A 40 9.019 8.130 0.752 1.00 0.00 O ATOM 526 CB CYS A 40 7.489 5.301 0.243 1.00 0.00 C ATOM 527 SG CYS A 40 5.848 4.518 0.353 1.00 0.00 S ATOM 0 H CYS A 40 9.045 5.959 -1.561 1.00 0.00 H new ATOM 0 HA CYS A 40 6.470 6.913 -0.752 1.00 0.00 H new ATOM 0 HB2 CYS A 40 8.149 4.656 -0.337 1.00 0.00 H new ATOM 0 HB3 CYS A 40 7.913 5.374 1.245 1.00 0.00 H new ATOM 532 N GLY A 41 6.874 8.197 1.410 1.00 0.00 N ATOM 533 CA GLY A 41 7.136 9.174 2.447 1.00 0.00 C ATOM 534 C GLY A 41 7.023 8.573 3.827 1.00 0.00 C ATOM 535 O GLY A 41 7.247 9.247 4.833 1.00 0.00 O ATOM 0 H GLY A 41 5.899 7.911 1.327 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.135 9.588 2.312 1.00 0.00 H new ATOM 0 HA3 GLY A 41 6.433 10.001 2.353 1.00 0.00 H new ATOM 539 N ALA A 42 6.686 7.291 3.867 1.00 0.00 N ATOM 540 CA ALA A 42 6.508 6.578 5.118 1.00 0.00 C ATOM 541 C ALA A 42 6.896 5.111 4.959 1.00 0.00 C ATOM 542 O ALA A 42 7.588 4.745 4.009 1.00 0.00 O ATOM 543 CB ALA A 42 5.068 6.702 5.588 1.00 0.00 C ATOM 0 H ALA A 42 6.530 6.721 3.036 1.00 0.00 H new ATOM 0 HA ALA A 42 7.160 7.022 5.870 1.00 0.00 H new ATOM 0 HB1 ALA A 42 4.944 6.164 6.528 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.823 7.754 5.737 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.402 6.278 4.836 1.00 0.00 H new ATOM 549 N SER A 43 6.441 4.284 5.888 1.00 0.00 N ATOM 550 CA SER A 43 6.745 2.863 5.879 1.00 0.00 C ATOM 551 C SER A 43 6.028 2.153 4.733 1.00 0.00 C ATOM 552 O SER A 43 4.814 2.291 4.566 1.00 0.00 O ATOM 553 CB SER A 43 6.332 2.260 7.222 1.00 0.00 C ATOM 554 OG SER A 43 5.706 3.241 8.037 1.00 0.00 O ATOM 0 H SER A 43 5.852 4.579 6.667 1.00 0.00 H new ATOM 0 HA SER A 43 7.816 2.729 5.728 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.650 1.426 7.058 1.00 0.00 H new ATOM 0 HB3 SER A 43 7.208 1.860 7.732 1.00 0.00 H new ATOM 0 HG SER A 43 4.796 3.404 7.712 1.00 0.00 H new ATOM 560 N VAL A 44 6.783 1.391 3.949 1.00 0.00 N ATOM 561 CA VAL A 44 6.216 0.644 2.836 1.00 0.00 C ATOM 562 C VAL A 44 5.545 -0.625 3.339 1.00 0.00 C ATOM 563 O VAL A 44 6.173 -1.453 4.006 1.00 0.00 O ATOM 564 CB VAL A 44 7.287 0.266 1.791 1.00 0.00 C ATOM 565 CG1 VAL A 44 6.642 -0.339 0.553 1.00 0.00 C ATOM 566 CG2 VAL A 44 8.124 1.478 1.419 1.00 0.00 C ATOM 0 H VAL A 44 7.790 1.275 4.065 1.00 0.00 H new ATOM 0 HA VAL A 44 5.481 1.291 2.357 1.00 0.00 H new ATOM 0 HB VAL A 44 7.945 -0.482 2.234 1.00 0.00 H new ATOM 0 HG11 VAL A 44 7.415 -0.598 -0.170 1.00 0.00 H new ATOM 0 HG12 VAL A 44 6.091 -1.237 0.832 1.00 0.00 H new ATOM 0 HG13 VAL A 44 5.957 0.384 0.109 1.00 0.00 H new ATOM 0 HG21 VAL A 44 8.873 1.190 0.681 1.00 0.00 H new ATOM 0 HG22 VAL A 44 7.479 2.250 0.999 1.00 0.00 H new ATOM 0 HG23 VAL A 44 8.621 1.864 2.309 1.00 0.00 H new ATOM 576 N LYS A 45 4.267 -0.764 3.039 1.00 0.00 N ATOM 577 CA LYS A 45 3.501 -1.923 3.458 1.00 0.00 C ATOM 578 C LYS A 45 2.920 -2.636 2.248 1.00 0.00 C ATOM 579 O LYS A 45 2.930 -2.103 1.139 1.00 0.00 O ATOM 580 CB LYS A 45 2.374 -1.510 4.409 1.00 0.00 C ATOM 581 CG LYS A 45 2.865 -0.994 5.749 1.00 0.00 C ATOM 582 CD LYS A 45 3.272 -2.130 6.674 1.00 0.00 C ATOM 583 CE LYS A 45 4.776 -2.166 6.881 1.00 0.00 C ATOM 584 NZ LYS A 45 5.430 -3.183 6.015 1.00 0.00 N ATOM 0 H LYS A 45 3.733 -0.081 2.501 1.00 0.00 H new ATOM 0 HA LYS A 45 4.171 -2.603 3.984 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.772 -0.738 3.931 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.720 -2.366 4.577 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.715 -0.329 5.594 1.00 0.00 H new ATOM 0 HG3 LYS A 45 2.080 -0.403 6.221 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.774 -2.014 7.636 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.938 -3.079 6.255 1.00 0.00 H new ATOM 0 HE2 LYS A 45 5.196 -1.183 6.667 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.994 -2.385 7.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.167 -3.678 6.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.720 -3.870 5.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.860 -2.714 5.193 1.00 0.00 H new ATOM 598 N CYS A 46 2.432 -3.845 2.468 1.00 0.00 N ATOM 599 CA CYS A 46 1.772 -4.613 1.430 1.00 0.00 C ATOM 600 C CYS A 46 0.457 -5.143 1.969 1.00 0.00 C ATOM 601 O CYS A 46 0.422 -6.166 2.656 1.00 0.00 O ATOM 602 CB CYS A 46 2.654 -5.772 0.967 1.00 0.00 C ATOM 603 SG CYS A 46 4.388 -5.315 0.651 1.00 0.00 S ATOM 0 H CYS A 46 2.483 -4.320 3.369 1.00 0.00 H new ATOM 0 HA CYS A 46 1.587 -3.967 0.572 1.00 0.00 H new ATOM 0 HB2 CYS A 46 2.629 -6.556 1.723 1.00 0.00 H new ATOM 0 HB3 CYS A 46 2.230 -6.194 0.056 1.00 0.00 H new ATOM 608 N CYS A 47 -0.616 -4.437 1.680 1.00 0.00 N ATOM 609 CA CYS A 47 -1.911 -4.780 2.232 1.00 0.00 C ATOM 610 C CYS A 47 -2.930 -5.005 1.130 1.00 0.00 C ATOM 611 O CYS A 47 -2.694 -4.657 -0.029 1.00 0.00 O ATOM 612 CB CYS A 47 -2.398 -3.667 3.165 1.00 0.00 C ATOM 613 SG CYS A 47 -1.059 -2.687 3.923 1.00 0.00 S ATOM 0 H CYS A 47 -0.618 -3.622 1.066 1.00 0.00 H new ATOM 0 HA CYS A 47 -1.802 -5.706 2.797 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -3.050 -2.998 2.604 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -3.002 -4.110 3.957 1.00 0.00 H new ATOM 618 N LYS A 48 -4.046 -5.614 1.497 1.00 0.00 N ATOM 619 CA LYS A 48 -5.177 -5.743 0.599 1.00 0.00 C ATOM 620 C LYS A 48 -5.973 -4.442 0.615 1.00 0.00 C ATOM 621 O LYS A 48 -5.408 -3.373 0.838 1.00 0.00 O ATOM 622 CB LYS A 48 -6.057 -6.923 1.023 1.00 0.00 C ATOM 623 CG LYS A 48 -6.040 -8.077 0.038 1.00 0.00 C ATOM 624 CD LYS A 48 -5.629 -9.379 0.703 1.00 0.00 C ATOM 625 CE LYS A 48 -6.286 -10.572 0.029 1.00 0.00 C ATOM 626 NZ LYS A 48 -5.866 -11.860 0.635 1.00 0.00 N ATOM 0 H LYS A 48 -4.191 -6.029 2.418 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.824 -5.935 -0.414 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.724 -7.282 1.997 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.083 -6.575 1.145 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.029 -8.191 -0.405 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.351 -7.851 -0.775 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.545 -9.486 0.661 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.906 -9.355 1.757 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.369 -10.476 0.099 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.034 -10.572 -1.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.365 -12.643 0.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.840 -11.982 0.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.099 -11.859 1.649 1.00 0.00 H new ATOM 640 N ASP A 49 -7.270 -4.518 0.372 1.00 0.00 N ATOM 641 CA ASP A 49 -8.108 -3.334 0.478 1.00 0.00 C ATOM 642 C ASP A 49 -8.190 -2.893 1.935 1.00 0.00 C ATOM 643 O ASP A 49 -7.679 -1.830 2.286 1.00 0.00 O ATOM 644 CB ASP A 49 -9.498 -3.593 -0.098 1.00 0.00 C ATOM 645 CG ASP A 49 -9.653 -3.006 -1.488 1.00 0.00 C ATOM 646 OD1 ASP A 49 -8.666 -3.007 -2.259 1.00 0.00 O ATOM 647 OD2 ASP A 49 -10.761 -2.540 -1.822 1.00 0.00 O ATOM 0 H ASP A 49 -7.760 -5.371 0.104 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.659 -2.531 -0.107 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -9.681 -4.667 -0.135 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -10.251 -3.164 0.563 1.00 0.00 H new ATOM 652 N ASP A 50 -8.819 -3.730 2.770 1.00 0.00 N ATOM 653 CA ASP A 50 -8.867 -3.545 4.237 1.00 0.00 C ATOM 654 C ASP A 50 -9.701 -2.332 4.669 1.00 0.00 C ATOM 655 O ASP A 50 -10.594 -2.455 5.511 1.00 0.00 O ATOM 656 CB ASP A 50 -7.444 -3.432 4.809 1.00 0.00 C ATOM 657 CG ASP A 50 -7.412 -3.378 6.327 1.00 0.00 C ATOM 658 OD1 ASP A 50 -7.838 -2.357 6.904 1.00 0.00 O ATOM 659 OD2 ASP A 50 -6.935 -4.351 6.949 1.00 0.00 O ATOM 0 H ASP A 50 -9.314 -4.562 2.450 1.00 0.00 H new ATOM 0 HA ASP A 50 -9.362 -4.428 4.641 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -6.854 -4.284 4.470 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -6.969 -2.536 4.410 1.00 0.00 H new ATOM 664 N VAL A 51 -9.398 -1.183 4.084 1.00 0.00 N ATOM 665 CA VAL A 51 -9.955 0.105 4.484 1.00 0.00 C ATOM 666 C VAL A 51 -11.463 0.087 4.697 1.00 0.00 C ATOM 667 O VAL A 51 -12.237 -0.300 3.819 1.00 0.00 O ATOM 668 CB VAL A 51 -9.627 1.199 3.448 1.00 0.00 C ATOM 669 CG1 VAL A 51 -8.182 1.643 3.589 1.00 0.00 C ATOM 670 CG2 VAL A 51 -9.907 0.719 2.027 1.00 0.00 C ATOM 0 H VAL A 51 -8.746 -1.116 3.303 1.00 0.00 H new ATOM 0 HA VAL A 51 -9.485 0.325 5.442 1.00 0.00 H new ATOM 0 HB VAL A 51 -10.276 2.053 3.642 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -7.965 2.415 2.851 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -8.020 2.042 4.590 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -7.522 0.791 3.427 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.666 1.513 1.321 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -9.295 -0.157 1.812 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -10.961 0.457 1.932 1.00 0.00 H new ATOM 680 N THR A 52 -11.867 0.535 5.873 1.00 0.00 N ATOM 681 CA THR A 52 -13.268 0.767 6.169 1.00 0.00 C ATOM 682 C THR A 52 -13.646 2.181 5.729 1.00 0.00 C ATOM 683 O THR A 52 -14.349 2.910 6.431 1.00 0.00 O ATOM 684 CB THR A 52 -13.542 0.583 7.674 1.00 0.00 C ATOM 685 OG1 THR A 52 -12.630 -0.388 8.212 1.00 0.00 O ATOM 686 CG2 THR A 52 -14.973 0.133 7.922 1.00 0.00 C ATOM 0 H THR A 52 -11.236 0.747 6.646 1.00 0.00 H new ATOM 0 HA THR A 52 -13.874 0.043 5.625 1.00 0.00 H new ATOM 0 HB THR A 52 -13.397 1.543 8.169 1.00 0.00 H new ATOM 0 HG1 THR A 52 -12.803 -0.504 9.170 1.00 0.00 H new ATOM 0 HG21 THR A 52 -15.136 0.012 8.993 1.00 0.00 H new ATOM 0 HG22 THR A 52 -15.663 0.882 7.533 1.00 0.00 H new ATOM 0 HG23 THR A 52 -15.148 -0.818 7.419 1.00 0.00 H new ATOM 694 N ASN A 53 -13.163 2.558 4.552 1.00 0.00 N ATOM 695 CA ASN A 53 -13.346 3.902 4.032 1.00 0.00 C ATOM 696 C ASN A 53 -13.487 3.859 2.518 1.00 0.00 C ATOM 697 O ASN A 53 -12.990 2.938 1.867 1.00 0.00 O ATOM 698 CB ASN A 53 -12.158 4.792 4.426 1.00 0.00 C ATOM 699 CG ASN A 53 -12.444 6.273 4.248 1.00 0.00 C ATOM 700 OD1 ASN A 53 -12.311 6.820 3.153 1.00 0.00 O ATOM 701 ND2 ASN A 53 -12.832 6.937 5.324 1.00 0.00 N ATOM 0 H ASN A 53 -12.635 1.941 3.935 1.00 0.00 H new ATOM 0 HA ASN A 53 -14.255 4.323 4.461 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -11.896 4.600 5.467 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -11.291 4.520 3.824 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -13.032 7.935 5.263 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -12.931 6.451 6.215 1.00 0.00 H new ATOM 708 N THR A 54 -14.160 4.856 1.964 1.00 0.00 N ATOM 709 CA THR A 54 -14.384 4.940 0.530 1.00 0.00 C ATOM 710 C THR A 54 -13.124 5.398 -0.208 1.00 0.00 C ATOM 711 O THR A 54 -13.074 5.395 -1.438 1.00 0.00 O ATOM 712 CB THR A 54 -15.534 5.916 0.243 1.00 0.00 C ATOM 713 OG1 THR A 54 -16.091 6.367 1.488 1.00 0.00 O ATOM 714 CG2 THR A 54 -16.617 5.253 -0.593 1.00 0.00 C ATOM 0 H THR A 54 -14.565 5.627 2.495 1.00 0.00 H new ATOM 0 HA THR A 54 -14.643 3.944 0.170 1.00 0.00 H new ATOM 0 HB THR A 54 -15.142 6.763 -0.320 1.00 0.00 H new ATOM 0 HG1 THR A 54 -16.825 6.992 1.311 1.00 0.00 H new ATOM 0 HG21 THR A 54 -17.419 5.967 -0.781 1.00 0.00 H new ATOM 0 HG22 THR A 54 -16.194 4.924 -1.542 1.00 0.00 H new ATOM 0 HG23 THR A 54 -17.016 4.392 -0.056 1.00 0.00 H new ATOM 722 N GLY A 55 -12.111 5.795 0.554 1.00 0.00 N ATOM 723 CA GLY A 55 -10.871 6.257 -0.036 1.00 0.00 C ATOM 724 C GLY A 55 -10.800 7.768 -0.069 1.00 0.00 C ATOM 725 O GLY A 55 -10.153 8.350 -0.937 1.00 0.00 O ATOM 0 H GLY A 55 -12.128 5.805 1.574 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -10.028 5.865 0.533 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -10.781 5.866 -1.049 1.00 0.00 H new ATOM 729 N ASN A 56 -11.475 8.402 0.879 1.00 0.00 N ATOM 730 CA ASN A 56 -11.532 9.857 0.940 1.00 0.00 C ATOM 731 C ASN A 56 -10.280 10.413 1.601 1.00 0.00 C ATOM 732 O ASN A 56 -9.455 11.063 0.955 1.00 0.00 O ATOM 733 CB ASN A 56 -12.774 10.310 1.713 1.00 0.00 C ATOM 734 CG ASN A 56 -13.935 10.652 0.801 1.00 0.00 C ATOM 735 OD1 ASN A 56 -13.771 11.336 -0.209 1.00 0.00 O ATOM 736 ND2 ASN A 56 -15.120 10.177 1.155 1.00 0.00 N ATOM 0 H ASN A 56 -11.993 7.930 1.620 1.00 0.00 H new ATOM 0 HA ASN A 56 -11.590 10.240 -0.079 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -13.077 9.521 2.401 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -12.523 11.181 2.318 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -15.940 10.374 0.582 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -15.212 9.614 2.000 1.00 0.00 H new ATOM 743 N SER A 57 -10.131 10.134 2.887 1.00 0.00 N ATOM 744 CA SER A 57 -8.986 10.595 3.654 1.00 0.00 C ATOM 745 C SER A 57 -7.808 9.629 3.499 1.00 0.00 C ATOM 746 O SER A 57 -7.201 9.200 4.484 1.00 0.00 O ATOM 747 CB SER A 57 -9.389 10.719 5.124 1.00 0.00 C ATOM 748 OG SER A 57 -10.770 10.409 5.294 1.00 0.00 O ATOM 0 H SER A 57 -10.799 9.583 3.426 1.00 0.00 H new ATOM 0 HA SER A 57 -8.669 11.569 3.281 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.783 10.047 5.731 1.00 0.00 H new ATOM 0 HB3 SER A 57 -9.192 11.731 5.476 1.00 0.00 H new ATOM 0 HG SER A 57 -11.010 10.492 6.241 1.00 0.00 H new ATOM 754 N GLY A 58 -7.492 9.294 2.254 1.00 0.00 N ATOM 755 CA GLY A 58 -6.453 8.324 1.983 1.00 0.00 C ATOM 756 C GLY A 58 -6.932 6.914 2.247 1.00 0.00 C ATOM 757 O GLY A 58 -8.137 6.643 2.219 1.00 0.00 O ATOM 0 H GLY A 58 -7.941 9.681 1.424 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.132 8.413 0.945 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.583 8.537 2.605 1.00 0.00 H new ATOM 761 N LEU A 59 -6.001 6.014 2.508 1.00 0.00 N ATOM 762 CA LEU A 59 -6.345 4.642 2.815 1.00 0.00 C ATOM 763 C LEU A 59 -6.025 4.342 4.271 1.00 0.00 C ATOM 764 O LEU A 59 -4.913 3.941 4.608 1.00 0.00 O ATOM 765 CB LEU A 59 -5.608 3.672 1.887 1.00 0.00 C ATOM 766 CG LEU A 59 -6.282 3.446 0.533 1.00 0.00 C ATOM 767 CD1 LEU A 59 -5.377 3.912 -0.598 1.00 0.00 C ATOM 768 CD2 LEU A 59 -6.651 1.981 0.363 1.00 0.00 C ATOM 0 H LEU A 59 -5.000 6.211 2.513 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.415 4.507 2.655 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.599 4.049 1.717 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.508 2.712 2.393 1.00 0.00 H new ATOM 0 HG LEU A 59 -7.198 4.035 0.498 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.873 3.743 -1.554 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.166 4.975 -0.481 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.442 3.352 -0.570 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.130 1.836 -0.605 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.750 1.370 0.417 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.338 1.685 1.155 1.00 0.00 H new ATOM 780 N ILE A 60 -7.006 4.560 5.131 1.00 0.00 N ATOM 781 CA ILE A 60 -6.847 4.294 6.549 1.00 0.00 C ATOM 782 C ILE A 60 -6.995 2.802 6.812 1.00 0.00 C ATOM 783 O ILE A 60 -8.103 2.290 6.971 1.00 0.00 O ATOM 784 CB ILE A 60 -7.881 5.077 7.390 1.00 0.00 C ATOM 785 CG1 ILE A 60 -7.925 6.544 6.954 1.00 0.00 C ATOM 786 CG2 ILE A 60 -7.551 4.981 8.870 1.00 0.00 C ATOM 787 CD1 ILE A 60 -9.298 7.003 6.511 1.00 0.00 C ATOM 0 H ILE A 60 -7.923 4.922 4.870 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.851 4.624 6.845 1.00 0.00 H new ATOM 0 HB ILE A 60 -8.862 4.632 7.224 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -7.591 7.170 7.781 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -7.220 6.693 6.136 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -8.291 5.539 9.445 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -7.565 3.936 9.179 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -6.561 5.400 9.050 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -9.254 8.052 6.216 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -9.627 6.402 5.663 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -10.004 6.887 7.334 1.00 0.00 H new ATOM 799 N ILE A 61 -5.864 2.114 6.829 1.00 0.00 N ATOM 800 CA ILE A 61 -5.841 0.670 7.005 1.00 0.00 C ATOM 801 C ILE A 61 -6.021 0.306 8.476 1.00 0.00 C ATOM 802 O ILE A 61 -5.460 0.959 9.361 1.00 0.00 O ATOM 803 CB ILE A 61 -4.515 0.065 6.481 1.00 0.00 C ATOM 804 CG1 ILE A 61 -4.186 0.607 5.084 1.00 0.00 C ATOM 805 CG2 ILE A 61 -4.572 -1.459 6.464 1.00 0.00 C ATOM 806 CD1 ILE A 61 -5.001 -0.016 3.969 1.00 0.00 C ATOM 0 H ILE A 61 -4.942 2.537 6.722 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.667 0.254 6.428 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.720 0.364 7.164 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -4.347 1.685 5.078 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.128 0.441 4.882 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.627 -1.854 6.091 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -4.746 -1.828 7.475 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.383 -1.786 5.814 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.707 0.422 3.015 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.823 -1.091 3.945 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -6.060 0.172 4.144 1.00 0.00 H new ATOM 818 N ASN A 62 -6.800 -0.740 8.725 1.00 0.00 N ATOM 819 CA ASN A 62 -7.066 -1.215 10.082 1.00 0.00 C ATOM 820 C ASN A 62 -5.915 -2.077 10.575 1.00 0.00 C ATOM 821 O ASN A 62 -5.946 -2.591 11.698 1.00 0.00 O ATOM 822 CB ASN A 62 -8.358 -2.037 10.124 1.00 0.00 C ATOM 823 CG ASN A 62 -9.578 -1.259 9.678 1.00 0.00 C ATOM 824 OD1 ASN A 62 -10.270 -0.646 10.489 1.00 0.00 O ATOM 825 ND2 ASN A 62 -9.856 -1.280 8.386 1.00 0.00 N ATOM 0 H ASN A 62 -7.264 -1.282 7.997 1.00 0.00 H new ATOM 0 HA ASN A 62 -7.173 -0.343 10.727 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -8.243 -2.915 9.488 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -8.518 -2.398 11.140 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -10.669 -0.776 8.031 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -9.258 -1.800 7.744 1.00 0.00 H new ATOM 832 N ALA A 63 -4.915 -2.243 9.710 1.00 0.00 N ATOM 833 CA ALA A 63 -3.735 -3.055 9.994 1.00 0.00 C ATOM 834 C ALA A 63 -4.110 -4.527 10.161 1.00 0.00 C ATOM 835 O ALA A 63 -3.439 -5.271 10.874 1.00 0.00 O ATOM 836 CB ALA A 63 -3.002 -2.544 11.228 1.00 0.00 C ATOM 0 H ALA A 63 -4.902 -1.814 8.785 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.061 -2.971 9.141 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.128 -3.167 11.416 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.685 -1.514 11.062 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -3.668 -2.584 12.090 1.00 0.00 H new ATOM 842 N ALA A 64 -5.179 -4.941 9.492 1.00 0.00 N ATOM 843 CA ALA A 64 -5.653 -6.314 9.592 1.00 0.00 C ATOM 844 C ALA A 64 -5.248 -7.120 8.363 1.00 0.00 C ATOM 845 O ALA A 64 -4.592 -8.154 8.470 1.00 0.00 O ATOM 846 CB ALA A 64 -7.163 -6.332 9.770 1.00 0.00 C ATOM 0 H ALA A 64 -5.733 -4.346 8.876 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.191 -6.777 10.464 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -7.508 -7.363 9.844 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -7.428 -5.794 10.680 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.636 -5.851 8.914 1.00 0.00 H new ATOM 852 N ASN A 65 -5.635 -6.633 7.194 1.00 0.00 N ATOM 853 CA ASN A 65 -5.340 -7.318 5.942 1.00 0.00 C ATOM 854 C ASN A 65 -4.039 -6.798 5.337 1.00 0.00 C ATOM 855 O ASN A 65 -3.997 -6.378 4.180 1.00 0.00 O ATOM 856 CB ASN A 65 -6.496 -7.134 4.952 1.00 0.00 C ATOM 857 CG ASN A 65 -6.993 -8.454 4.393 1.00 0.00 C ATOM 858 OD1 ASN A 65 -6.205 -9.340 4.078 1.00 0.00 O ATOM 859 ND2 ASN A 65 -8.305 -8.598 4.267 1.00 0.00 N ATOM 0 H ASN A 65 -6.156 -5.763 7.085 1.00 0.00 H new ATOM 0 HA ASN A 65 -5.221 -8.381 6.151 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -7.319 -6.620 5.449 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -6.170 -6.495 4.132 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -8.689 -9.468 3.898 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -8.930 -7.839 4.539 1.00 0.00 H new ATOM 866 N CYS A 66 -2.979 -6.835 6.130 1.00 0.00 N ATOM 867 CA CYS A 66 -1.684 -6.315 5.714 1.00 0.00 C ATOM 868 C CYS A 66 -0.556 -7.074 6.410 1.00 0.00 C ATOM 869 O CYS A 66 -0.789 -7.781 7.391 1.00 0.00 O ATOM 870 CB CYS A 66 -1.593 -4.817 6.032 1.00 0.00 C ATOM 871 SG CYS A 66 -0.187 -3.967 5.236 1.00 0.00 S ATOM 0 H CYS A 66 -2.991 -7.223 7.073 1.00 0.00 H new ATOM 0 HA CYS A 66 -1.580 -6.454 4.638 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -2.519 -4.334 5.720 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -1.516 -4.690 7.112 1.00 0.00 H new ATOM 876 N VAL A 67 0.658 -6.934 5.893 1.00 0.00 N ATOM 877 CA VAL A 67 1.823 -7.576 6.484 1.00 0.00 C ATOM 878 C VAL A 67 2.840 -6.537 6.942 1.00 0.00 C ATOM 879 O VAL A 67 2.916 -5.438 6.382 1.00 0.00 O ATOM 880 CB VAL A 67 2.507 -8.551 5.501 1.00 0.00 C ATOM 881 CG1 VAL A 67 1.651 -9.788 5.293 1.00 0.00 C ATOM 882 CG2 VAL A 67 2.805 -7.868 4.172 1.00 0.00 C ATOM 0 H VAL A 67 0.861 -6.379 5.062 1.00 0.00 H new ATOM 0 HA VAL A 67 1.465 -8.144 7.342 1.00 0.00 H new ATOM 0 HB VAL A 67 3.456 -8.861 5.937 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.150 -10.463 4.597 1.00 0.00 H new ATOM 0 HG12 VAL A 67 1.505 -10.294 6.247 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.683 -9.496 4.885 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.287 -8.577 3.498 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.874 -7.518 3.726 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.468 -7.019 4.340 1.00 0.00 H new ATOM 892 N ALA A 68 3.609 -6.888 7.963 1.00 0.00 N ATOM 893 CA ALA A 68 4.647 -6.014 8.482 1.00 0.00 C ATOM 894 C ALA A 68 5.800 -5.918 7.494 1.00 0.00 C ATOM 895 O ALA A 68 6.575 -4.944 7.575 1.00 0.00 O ATOM 896 CB ALA A 68 5.141 -6.519 9.830 1.00 0.00 C ATOM 897 OXT ALA A 68 5.905 -6.804 6.621 1.00 0.00 O ATOM 0 H ALA A 68 3.531 -7.780 8.451 1.00 0.00 H new ATOM 0 HA ALA A 68 4.226 -5.018 8.620 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.918 -5.853 10.205 1.00 0.00 H new ATOM 0 HB2 ALA A 68 4.311 -6.542 10.536 1.00 0.00 H new ATOM 0 HB3 ALA A 68 5.548 -7.524 9.715 1.00 0.00 H new TER 903 ALA A 68