USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 621 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 49 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 63 MET CE :methyl 165:sc=-0.00466 (180deg=-0.301) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 178:sc= -2.32! (180deg=-2.54!) USER MOD Single : A 2 MET CE :methyl 142:sc= -8.33! (180deg=-13.9!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -1.58! C(o=-1.6!,f=-2.1!) USER MOD Single : A 7 TYR OH : rot 175:sc= -1.34! USER MOD Single : A 9 THR OG1 : rot 130:sc= -0.331 USER MOD Single : A 11 CYS SG : rot 180:sc= -0.713 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 CYS SG : rot 180:sc= 0.158 USER MOD Single : A 15 GLN : amide:sc= -0.595 X(o=-0.6,f=-0.18) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -0.61 K(o=-0.61,f=-2.6) USER MOD Single : A 26 LYS NZ :NH3+ -169:sc= 0.00822 (180deg=0.0018) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.492) USER MOD Single : A 40 MET CE :methyl 158:sc= -0.0927 (180deg=-0.611) USER MOD Single : A 42 GLN : amide:sc= -0.475 X(o=-0.47,f=-0.44) USER MOD Single : A 61 LYS NZ :NH3+ -163:sc= -0.151 (180deg=-0.568) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0619) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= -0.0624 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.888 -9.232 -7.513 1.00 0.00 N ATOM 2 CA MET A 1 4.718 -9.414 -8.417 1.00 0.00 C ATOM 3 C MET A 1 3.665 -8.332 -8.205 1.00 0.00 C ATOM 4 O MET A 1 3.205 -7.718 -9.169 1.00 0.00 O ATOM 5 CB MET A 1 4.108 -10.801 -8.182 1.00 0.00 C ATOM 6 CG MET A 1 5.110 -11.938 -8.307 1.00 0.00 C ATOM 7 SD MET A 1 4.374 -13.442 -8.977 1.00 0.00 S ATOM 8 CE MET A 1 5.669 -13.985 -10.088 1.00 0.00 C ATOM 0 H1 MET A 1 6.566 -10.006 -7.663 1.00 0.00 H new ATOM 0 H2 MET A 1 6.348 -8.323 -7.720 1.00 0.00 H new ATOM 0 H3 MET A 1 5.567 -9.240 -6.524 1.00 0.00 H new ATOM 0 HA MET A 1 5.065 -9.331 -9.447 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.663 -10.829 -7.188 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.301 -10.959 -8.897 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.932 -11.623 -8.949 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.535 -12.152 -7.326 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.363 -14.908 -10.580 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.850 -13.216 -10.839 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.584 -14.162 -9.522 1.00 0.00 H new ATOM 20 N MET A 2 3.271 -8.096 -6.954 1.00 0.00 N ATOM 21 CA MET A 2 2.262 -7.080 -6.676 1.00 0.00 C ATOM 22 C MET A 2 2.895 -5.697 -6.513 1.00 0.00 C ATOM 23 O MET A 2 3.718 -5.477 -5.626 1.00 0.00 O ATOM 24 CB MET A 2 1.457 -7.456 -5.429 1.00 0.00 C ATOM 25 CG MET A 2 -0.030 -7.643 -5.695 1.00 0.00 C ATOM 26 SD MET A 2 -0.363 -8.802 -7.037 1.00 0.00 S ATOM 27 CE MET A 2 0.845 -10.079 -6.698 1.00 0.00 C ATOM 0 H MET A 2 3.628 -8.585 -6.133 1.00 0.00 H new ATOM 0 HA MET A 2 1.585 -7.036 -7.529 1.00 0.00 H new ATOM 0 HB2 MET A 2 1.861 -8.378 -5.011 1.00 0.00 H new ATOM 0 HB3 MET A 2 1.588 -6.680 -4.675 1.00 0.00 H new ATOM 0 HG2 MET A 2 -0.515 -7.999 -4.786 1.00 0.00 H new ATOM 0 HG3 MET A 2 -0.475 -6.678 -5.937 1.00 0.00 H new ATOM 0 HE1 MET A 2 0.410 -11.056 -6.909 1.00 0.00 H new ATOM 0 HE2 MET A 2 1.721 -9.928 -7.329 1.00 0.00 H new ATOM 0 HE3 MET A 2 1.140 -10.032 -5.650 1.00 0.00 H new ATOM 37 N LYS A 3 2.498 -4.768 -7.378 1.00 0.00 N ATOM 38 CA LYS A 3 3.013 -3.399 -7.335 1.00 0.00 C ATOM 39 C LYS A 3 2.253 -2.572 -6.306 1.00 0.00 C ATOM 40 O LYS A 3 1.071 -2.275 -6.482 1.00 0.00 O ATOM 41 CB LYS A 3 2.902 -2.747 -8.714 1.00 0.00 C ATOM 42 CG LYS A 3 3.513 -3.579 -9.831 1.00 0.00 C ATOM 43 CD LYS A 3 2.513 -3.843 -10.947 1.00 0.00 C ATOM 44 CE LYS A 3 2.767 -2.950 -12.153 1.00 0.00 C ATOM 45 NZ LYS A 3 2.963 -3.741 -13.399 1.00 0.00 N ATOM 0 H LYS A 3 1.819 -4.937 -8.120 1.00 0.00 H new ATOM 0 HA LYS A 3 4.063 -3.437 -7.044 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.850 -2.568 -8.939 1.00 0.00 H new ATOM 0 HB3 LYS A 3 3.392 -1.774 -8.687 1.00 0.00 H new ATOM 0 HG2 LYS A 3 4.383 -3.062 -10.236 1.00 0.00 H new ATOM 0 HG3 LYS A 3 3.866 -4.528 -9.427 1.00 0.00 H new ATOM 0 HD2 LYS A 3 2.573 -4.889 -11.249 1.00 0.00 H new ATOM 0 HD3 LYS A 3 1.502 -3.675 -10.577 1.00 0.00 H new ATOM 0 HE2 LYS A 3 1.926 -2.269 -12.284 1.00 0.00 H new ATOM 0 HE3 LYS A 3 3.649 -2.336 -11.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 3.133 -3.096 -14.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.781 -4.373 -13.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 2.112 -4.308 -13.588 1.00 0.00 H new ATOM 59 N ILE A 4 2.937 -2.206 -5.227 1.00 0.00 N ATOM 60 CA ILE A 4 2.326 -1.418 -4.164 1.00 0.00 C ATOM 61 C ILE A 4 3.005 -0.060 -4.024 1.00 0.00 C ATOM 62 O ILE A 4 4.215 0.026 -3.813 1.00 0.00 O ATOM 63 CB ILE A 4 2.388 -2.167 -2.818 1.00 0.00 C ATOM 64 CG1 ILE A 4 1.593 -3.465 -2.906 1.00 0.00 C ATOM 65 CG2 ILE A 4 1.871 -1.298 -1.682 1.00 0.00 C ATOM 66 CD1 ILE A 4 2.467 -4.678 -3.085 1.00 0.00 C ATOM 0 H ILE A 4 3.916 -2.443 -5.066 1.00 0.00 H new ATOM 0 HA ILE A 4 1.282 -1.261 -4.436 1.00 0.00 H new ATOM 0 HB ILE A 4 3.430 -2.405 -2.605 1.00 0.00 H new ATOM 0 HG12 ILE A 4 0.998 -3.583 -2.000 1.00 0.00 H new ATOM 0 HG13 ILE A 4 0.894 -3.401 -3.740 1.00 0.00 H new ATOM 0 HG21 ILE A 4 1.927 -1.853 -0.745 1.00 0.00 H new ATOM 0 HG22 ILE A 4 2.480 -0.397 -1.607 1.00 0.00 H new ATOM 0 HG23 ILE A 4 0.835 -1.021 -1.878 1.00 0.00 H new ATOM 0 HD11 ILE A 4 1.844 -5.570 -3.141 1.00 0.00 H new ATOM 0 HD12 ILE A 4 3.043 -4.579 -4.005 1.00 0.00 H new ATOM 0 HD13 ILE A 4 3.148 -4.764 -2.238 1.00 0.00 H new ATOM 78 N GLN A 5 2.213 0.997 -4.143 1.00 0.00 N ATOM 79 CA GLN A 5 2.726 2.359 -4.030 1.00 0.00 C ATOM 80 C GLN A 5 2.223 3.018 -2.747 1.00 0.00 C ATOM 81 O GLN A 5 1.020 3.033 -2.486 1.00 0.00 O ATOM 82 CB GLN A 5 2.311 3.195 -5.253 1.00 0.00 C ATOM 83 CG GLN A 5 1.432 2.457 -6.252 1.00 0.00 C ATOM 84 CD GLN A 5 2.164 1.329 -6.954 1.00 0.00 C ATOM 85 OE1 GLN A 5 3.385 1.364 -7.106 1.00 0.00 O ATOM 86 NE2 GLN A 5 1.418 0.318 -7.386 1.00 0.00 N ATOM 0 H GLN A 5 1.210 0.939 -4.318 1.00 0.00 H new ATOM 0 HA GLN A 5 3.814 2.311 -3.993 1.00 0.00 H new ATOM 0 HB2 GLN A 5 1.781 4.083 -4.908 1.00 0.00 H new ATOM 0 HB3 GLN A 5 3.210 3.539 -5.764 1.00 0.00 H new ATOM 0 HG2 GLN A 5 0.561 2.053 -5.735 1.00 0.00 H new ATOM 0 HG3 GLN A 5 1.062 3.163 -6.996 1.00 0.00 H new ATOM 0 HE21 GLN A 5 0.409 0.330 -7.239 1.00 0.00 H new ATOM 0 HE22 GLN A 5 1.855 -0.470 -7.865 1.00 0.00 H new ATOM 95 N ILE A 6 3.141 3.568 -1.947 1.00 0.00 N ATOM 96 CA ILE A 6 2.760 4.227 -0.699 1.00 0.00 C ATOM 97 C ILE A 6 2.967 5.734 -0.794 1.00 0.00 C ATOM 98 O ILE A 6 4.097 6.211 -0.897 1.00 0.00 O ATOM 99 CB ILE A 6 3.543 3.680 0.519 1.00 0.00 C ATOM 100 CG1 ILE A 6 4.894 3.100 0.093 1.00 0.00 C ATOM 101 CG2 ILE A 6 2.719 2.628 1.246 1.00 0.00 C ATOM 102 CD1 ILE A 6 5.918 3.069 1.207 1.00 0.00 C ATOM 0 H ILE A 6 4.143 3.570 -2.140 1.00 0.00 H new ATOM 0 HA ILE A 6 1.702 4.011 -0.548 1.00 0.00 H new ATOM 0 HB ILE A 6 3.734 4.510 1.199 1.00 0.00 H new ATOM 0 HG12 ILE A 6 4.744 2.087 -0.280 1.00 0.00 H new ATOM 0 HG13 ILE A 6 5.288 3.689 -0.735 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.282 2.252 2.100 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.786 3.072 1.593 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.498 1.805 0.566 1.00 0.00 H new ATOM 0 HD11 ILE A 6 6.850 2.646 0.833 1.00 0.00 H new ATOM 0 HD12 ILE A 6 6.097 4.083 1.565 1.00 0.00 H new ATOM 0 HD13 ILE A 6 5.545 2.456 2.027 1.00 0.00 H new ATOM 114 N TYR A 7 1.865 6.479 -0.768 1.00 0.00 N ATOM 115 CA TYR A 7 1.921 7.933 -0.861 1.00 0.00 C ATOM 116 C TYR A 7 1.987 8.572 0.521 1.00 0.00 C ATOM 117 O TYR A 7 1.029 8.518 1.292 1.00 0.00 O ATOM 118 CB TYR A 7 0.711 8.451 -1.638 1.00 0.00 C ATOM 119 CG TYR A 7 0.612 7.872 -3.037 1.00 0.00 C ATOM 120 CD1 TYR A 7 1.324 8.415 -4.106 1.00 0.00 C ATOM 121 CD2 TYR A 7 -0.185 6.763 -3.283 1.00 0.00 C ATOM 122 CE1 TYR A 7 1.231 7.864 -5.372 1.00 0.00 C ATOM 123 CE2 TYR A 7 -0.277 6.208 -4.542 1.00 0.00 C ATOM 124 CZ TYR A 7 0.433 6.761 -5.583 1.00 0.00 C ATOM 125 OH TYR A 7 0.344 6.211 -6.842 1.00 0.00 O ATOM 0 H TYR A 7 0.922 6.098 -0.683 1.00 0.00 H new ATOM 0 HA TYR A 7 2.830 8.209 -1.395 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -0.198 8.211 -1.086 1.00 0.00 H new ATOM 0 HB3 TYR A 7 0.766 9.538 -1.704 1.00 0.00 H new ATOM 0 HD1 TYR A 7 1.956 9.276 -3.944 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -0.746 6.325 -2.470 1.00 0.00 H new ATOM 0 HE1 TYR A 7 1.783 8.298 -6.193 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -0.903 5.344 -4.710 1.00 0.00 H new ATOM 0 HH TYR A 7 -0.196 5.394 -6.805 1.00 0.00 H new ATOM 135 N GLY A 8 3.133 9.175 0.825 1.00 0.00 N ATOM 136 CA GLY A 8 3.321 9.816 2.111 1.00 0.00 C ATOM 137 C GLY A 8 4.680 9.512 2.709 1.00 0.00 C ATOM 138 O GLY A 8 5.673 10.155 2.370 1.00 0.00 O ATOM 0 H GLY A 8 3.937 9.230 0.199 1.00 0.00 H new ATOM 0 HA2 GLY A 8 3.209 10.894 1.997 1.00 0.00 H new ATOM 0 HA3 GLY A 8 2.542 9.485 2.797 1.00 0.00 H new ATOM 142 N THR A 9 4.725 8.522 3.596 1.00 0.00 N ATOM 143 CA THR A 9 5.973 8.125 4.242 1.00 0.00 C ATOM 144 C THR A 9 6.469 9.199 5.206 1.00 0.00 C ATOM 145 O THR A 9 6.528 8.982 6.415 1.00 0.00 O ATOM 146 CB THR A 9 7.076 7.834 3.206 1.00 0.00 C ATOM 147 OG1 THR A 9 6.487 7.469 1.952 1.00 0.00 O ATOM 148 CG2 THR A 9 7.988 6.715 3.687 1.00 0.00 C ATOM 0 H THR A 9 3.911 7.979 3.884 1.00 0.00 H new ATOM 0 HA THR A 9 5.758 7.214 4.801 1.00 0.00 H new ATOM 0 HB THR A 9 7.671 8.738 3.078 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.888 8.003 1.235 1.00 0.00 H new ATOM 0 HG21 THR A 9 8.759 6.527 2.940 1.00 0.00 H new ATOM 0 HG22 THR A 9 8.457 7.007 4.627 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.402 5.809 3.840 1.00 0.00 H new ATOM 156 N GLY A 10 6.827 10.358 4.660 1.00 0.00 N ATOM 157 CA GLY A 10 7.318 11.450 5.485 1.00 0.00 C ATOM 158 C GLY A 10 6.419 11.741 6.672 1.00 0.00 C ATOM 159 O GLY A 10 6.861 11.696 7.820 1.00 0.00 O ATOM 0 H GLY A 10 6.786 10.561 3.661 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.318 11.207 5.844 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.408 12.348 4.874 1.00 0.00 H new ATOM 163 N CYS A 11 5.154 12.039 6.396 1.00 0.00 N ATOM 164 CA CYS A 11 4.192 12.338 7.450 1.00 0.00 C ATOM 165 C CYS A 11 3.136 11.243 7.552 1.00 0.00 C ATOM 166 O CYS A 11 2.669 10.915 8.643 1.00 0.00 O ATOM 167 CB CYS A 11 3.520 13.687 7.189 1.00 0.00 C ATOM 168 SG CYS A 11 2.684 13.797 5.590 1.00 0.00 S ATOM 0 H CYS A 11 4.771 12.080 5.451 1.00 0.00 H new ATOM 0 HA CYS A 11 4.732 12.385 8.396 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.795 13.879 7.980 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.272 14.473 7.249 1.00 0.00 H new ATOM 0 HG CYS A 11 2.145 14.973 5.462 1.00 0.00 H new ATOM 174 N ALA A 12 2.763 10.679 6.408 1.00 0.00 N ATOM 175 CA ALA A 12 1.762 9.619 6.366 1.00 0.00 C ATOM 176 C ALA A 12 2.265 8.362 7.067 1.00 0.00 C ATOM 177 O ALA A 12 3.328 7.835 6.737 1.00 0.00 O ATOM 178 CB ALA A 12 1.382 9.312 4.926 1.00 0.00 C ATOM 0 H ALA A 12 3.139 10.939 5.496 1.00 0.00 H new ATOM 0 HA ALA A 12 0.875 9.966 6.896 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.634 8.519 4.908 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.972 10.208 4.459 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.267 8.989 4.377 1.00 0.00 H new ATOM 184 N ASN A 13 1.495 7.886 8.043 1.00 0.00 N ATOM 185 CA ASN A 13 1.855 6.690 8.803 1.00 0.00 C ATOM 186 C ASN A 13 1.602 5.402 8.014 1.00 0.00 C ATOM 187 O ASN A 13 1.554 4.317 8.593 1.00 0.00 O ATOM 188 CB ASN A 13 1.075 6.651 10.118 1.00 0.00 C ATOM 189 CG ASN A 13 1.136 7.968 10.866 1.00 0.00 C ATOM 190 OD1 ASN A 13 0.110 8.603 11.113 1.00 0.00 O ATOM 191 ND2 ASN A 13 2.343 8.388 11.228 1.00 0.00 N ATOM 0 H ASN A 13 0.613 8.312 8.328 1.00 0.00 H new ATOM 0 HA ASN A 13 2.924 6.746 9.006 1.00 0.00 H new ATOM 0 HB2 ASN A 13 0.034 6.401 9.912 1.00 0.00 H new ATOM 0 HB3 ASN A 13 1.474 5.858 10.751 1.00 0.00 H new ATOM 0 HD21 ASN A 13 2.447 9.269 11.732 1.00 0.00 H new ATOM 0 HD22 ASN A 13 3.166 7.830 11.002 1.00 0.00 H new ATOM 198 N CYS A 14 1.438 5.517 6.698 1.00 0.00 N ATOM 199 CA CYS A 14 1.190 4.343 5.857 1.00 0.00 C ATOM 200 C CYS A 14 2.331 3.331 5.964 1.00 0.00 C ATOM 201 O CYS A 14 2.166 2.157 5.629 1.00 0.00 O ATOM 202 CB CYS A 14 1.001 4.757 4.394 1.00 0.00 C ATOM 203 SG CYS A 14 2.226 5.945 3.794 1.00 0.00 S ATOM 0 H CYS A 14 1.471 6.402 6.192 1.00 0.00 H new ATOM 0 HA CYS A 14 0.276 3.870 6.216 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.039 3.865 3.768 1.00 0.00 H new ATOM 0 HB3 CYS A 14 0.006 5.187 4.276 1.00 0.00 H new ATOM 0 HG CYS A 14 1.982 6.229 2.549 1.00 0.00 H new ATOM 209 N GLN A 15 3.489 3.794 6.425 1.00 0.00 N ATOM 210 CA GLN A 15 4.665 2.955 6.575 1.00 0.00 C ATOM 211 C GLN A 15 4.358 1.678 7.362 1.00 0.00 C ATOM 212 O GLN A 15 5.043 0.664 7.210 1.00 0.00 O ATOM 213 CB GLN A 15 5.763 3.783 7.250 1.00 0.00 C ATOM 214 CG GLN A 15 5.748 3.754 8.776 1.00 0.00 C ATOM 215 CD GLN A 15 5.433 5.108 9.382 1.00 0.00 C ATOM 216 OE1 GLN A 15 4.643 5.212 10.320 1.00 0.00 O ATOM 217 NE2 GLN A 15 6.052 6.155 8.849 1.00 0.00 N ATOM 0 H GLN A 15 3.635 4.764 6.705 1.00 0.00 H new ATOM 0 HA GLN A 15 5.004 2.627 5.592 1.00 0.00 H new ATOM 0 HB2 GLN A 15 6.732 3.424 6.904 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.671 4.818 6.921 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.009 3.028 9.115 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.718 3.415 9.139 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.700 6.023 8.072 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.880 7.091 9.217 1.00 0.00 H new ATOM 226 N MET A 16 3.325 1.730 8.198 1.00 0.00 N ATOM 227 CA MET A 16 2.936 0.576 8.998 1.00 0.00 C ATOM 228 C MET A 16 2.498 -0.572 8.099 1.00 0.00 C ATOM 229 O MET A 16 3.118 -1.636 8.088 1.00 0.00 O ATOM 230 CB MET A 16 1.808 0.949 9.962 1.00 0.00 C ATOM 231 CG MET A 16 2.298 1.390 11.332 1.00 0.00 C ATOM 232 SD MET A 16 1.151 0.954 12.653 1.00 0.00 S ATOM 233 CE MET A 16 1.691 -0.711 13.033 1.00 0.00 C ATOM 0 H MET A 16 2.745 2.557 8.338 1.00 0.00 H new ATOM 0 HA MET A 16 3.800 0.255 9.579 1.00 0.00 H new ATOM 0 HB2 MET A 16 1.216 1.751 9.522 1.00 0.00 H new ATOM 0 HB3 MET A 16 1.145 0.092 10.081 1.00 0.00 H new ATOM 0 HG2 MET A 16 3.267 0.932 11.532 1.00 0.00 H new ATOM 0 HG3 MET A 16 2.450 2.469 11.329 1.00 0.00 H new ATOM 0 HE1 MET A 16 1.076 -1.119 13.835 1.00 0.00 H new ATOM 0 HE2 MET A 16 1.593 -1.337 12.146 1.00 0.00 H new ATOM 0 HE3 MET A 16 2.734 -0.692 13.350 1.00 0.00 H new ATOM 243 N LEU A 17 1.436 -0.348 7.333 1.00 0.00 N ATOM 244 CA LEU A 17 0.934 -1.365 6.418 1.00 0.00 C ATOM 245 C LEU A 17 1.952 -1.642 5.316 1.00 0.00 C ATOM 246 O LEU A 17 1.912 -2.689 4.675 1.00 0.00 O ATOM 247 CB LEU A 17 -0.393 -0.928 5.799 1.00 0.00 C ATOM 248 CG LEU A 17 -0.926 -1.850 4.698 1.00 0.00 C ATOM 249 CD1 LEU A 17 -2.439 -1.964 4.780 1.00 0.00 C ATOM 250 CD2 LEU A 17 -0.501 -1.344 3.328 1.00 0.00 C ATOM 0 H LEU A 17 0.908 0.525 7.328 1.00 0.00 H new ATOM 0 HA LEU A 17 0.771 -2.280 6.988 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.141 -0.860 6.589 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.272 0.074 5.387 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.501 -2.843 4.846 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.798 -2.623 3.989 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.721 -2.374 5.750 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.885 -0.977 4.660 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.888 -2.011 2.558 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.897 -0.341 3.172 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.587 -1.317 3.271 1.00 0.00 H new ATOM 262 N GLU A 18 2.864 -0.698 5.101 1.00 0.00 N ATOM 263 CA GLU A 18 3.894 -0.865 4.064 1.00 0.00 C ATOM 264 C GLU A 18 4.701 -2.133 4.325 1.00 0.00 C ATOM 265 O GLU A 18 4.860 -2.972 3.438 1.00 0.00 O ATOM 266 CB GLU A 18 4.849 0.344 3.977 1.00 0.00 C ATOM 267 CG GLU A 18 5.908 0.193 2.896 1.00 0.00 C ATOM 268 CD GLU A 18 7.260 0.727 3.325 1.00 0.00 C ATOM 269 OE1 GLU A 18 7.295 1.640 4.177 1.00 0.00 O ATOM 270 OE2 GLU A 18 8.285 0.232 2.810 1.00 0.00 O ATOM 0 H GLU A 18 2.917 0.179 5.618 1.00 0.00 H new ATOM 0 HA GLU A 18 3.373 -0.942 3.110 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.267 1.245 3.784 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.339 0.482 4.941 1.00 0.00 H new ATOM 0 HG2 GLU A 18 6.005 -0.860 2.632 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.583 0.718 1.998 1.00 0.00 H new ATOM 277 N LYS A 19 5.203 -2.268 5.549 1.00 0.00 N ATOM 278 CA LYS A 19 5.990 -3.440 5.927 1.00 0.00 C ATOM 279 C LYS A 19 5.107 -4.684 5.986 1.00 0.00 C ATOM 280 O LYS A 19 5.421 -5.714 5.385 1.00 0.00 O ATOM 281 CB LYS A 19 6.663 -3.213 7.281 1.00 0.00 C ATOM 282 CG LYS A 19 7.930 -4.031 7.475 1.00 0.00 C ATOM 283 CD LYS A 19 7.989 -4.650 8.863 1.00 0.00 C ATOM 284 CE LYS A 19 8.853 -5.900 8.880 1.00 0.00 C ATOM 285 NZ LYS A 19 9.414 -6.169 10.233 1.00 0.00 N ATOM 0 H LYS A 19 5.080 -1.583 6.295 1.00 0.00 H new ATOM 0 HA LYS A 19 6.759 -3.594 5.170 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.904 -2.155 7.385 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.957 -3.458 8.074 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.974 -4.818 6.723 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.802 -3.395 7.322 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.387 -3.922 9.570 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.981 -4.899 9.195 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.260 -6.755 8.556 1.00 0.00 H new ATOM 0 HE3 LYS A 19 9.668 -5.788 8.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.997 -7.030 10.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 10.001 -5.364 10.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.637 -6.302 10.911 1.00 0.00 H new ATOM 299 N ASN A 20 3.999 -4.579 6.712 1.00 0.00 N ATOM 300 CA ASN A 20 3.064 -5.693 6.852 1.00 0.00 C ATOM 301 C ASN A 20 2.622 -6.198 5.482 1.00 0.00 C ATOM 302 O ASN A 20 2.500 -7.403 5.261 1.00 0.00 O ATOM 303 CB ASN A 20 1.837 -5.265 7.665 1.00 0.00 C ATOM 304 CG ASN A 20 2.208 -4.475 8.906 1.00 0.00 C ATOM 305 OD1 ASN A 20 3.369 -4.449 9.315 1.00 0.00 O ATOM 306 ND2 ASN A 20 1.221 -3.825 9.510 1.00 0.00 N ATOM 0 H ASN A 20 3.725 -3.734 7.213 1.00 0.00 H new ATOM 0 HA ASN A 20 3.575 -6.499 7.378 1.00 0.00 H new ATOM 0 HB2 ASN A 20 1.182 -4.662 7.037 1.00 0.00 H new ATOM 0 HB3 ASN A 20 1.272 -6.150 7.957 1.00 0.00 H new ATOM 0 HD21 ASN A 20 1.410 -3.276 10.348 1.00 0.00 H new ATOM 0 HD22 ASN A 20 0.273 -3.875 9.136 1.00 0.00 H new ATOM 313 N ALA A 21 2.386 -5.264 4.570 1.00 0.00 N ATOM 314 CA ALA A 21 1.959 -5.601 3.218 1.00 0.00 C ATOM 315 C ALA A 21 2.987 -6.478 2.511 1.00 0.00 C ATOM 316 O ALA A 21 2.634 -7.471 1.882 1.00 0.00 O ATOM 317 CB ALA A 21 1.705 -4.333 2.416 1.00 0.00 C ATOM 0 H ALA A 21 2.483 -4.263 4.743 1.00 0.00 H new ATOM 0 HA ALA A 21 1.031 -6.169 3.291 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.387 -4.598 1.408 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.925 -3.746 2.901 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.622 -3.745 2.364 1.00 0.00 H new ATOM 323 N ARG A 22 4.260 -6.103 2.611 1.00 0.00 N ATOM 324 CA ARG A 22 5.333 -6.860 1.973 1.00 0.00 C ATOM 325 C ARG A 22 5.306 -8.325 2.399 1.00 0.00 C ATOM 326 O ARG A 22 5.558 -9.220 1.591 1.00 0.00 O ATOM 327 CB ARG A 22 6.694 -6.240 2.315 1.00 0.00 C ATOM 328 CG ARG A 22 7.506 -5.842 1.094 1.00 0.00 C ATOM 329 CD ARG A 22 8.986 -6.130 1.287 1.00 0.00 C ATOM 330 NE ARG A 22 9.828 -5.211 0.525 1.00 0.00 N ATOM 331 CZ ARG A 22 11.136 -5.379 0.347 1.00 0.00 C ATOM 332 NH1 ARG A 22 11.755 -6.428 0.875 1.00 0.00 N ATOM 333 NH2 ARG A 22 11.827 -4.496 -0.361 1.00 0.00 N ATOM 0 H ARG A 22 4.573 -5.281 3.127 1.00 0.00 H new ATOM 0 HA ARG A 22 5.179 -6.817 0.895 1.00 0.00 H new ATOM 0 HB2 ARG A 22 6.536 -5.360 2.939 1.00 0.00 H new ATOM 0 HB3 ARG A 22 7.269 -6.952 2.907 1.00 0.00 H new ATOM 0 HG2 ARG A 22 7.140 -6.383 0.221 1.00 0.00 H new ATOM 0 HG3 ARG A 22 7.365 -4.780 0.893 1.00 0.00 H new ATOM 0 HD2 ARG A 22 9.234 -6.056 2.346 1.00 0.00 H new ATOM 0 HD3 ARG A 22 9.199 -7.154 0.981 1.00 0.00 H new ATOM 0 HE ARG A 22 9.387 -4.393 0.105 1.00 0.00 H new ATOM 0 HH11 ARG A 22 11.228 -7.110 1.420 1.00 0.00 H new ATOM 0 HH12 ARG A 22 12.758 -6.552 0.735 1.00 0.00 H new ATOM 0 HH21 ARG A 22 11.356 -3.688 -0.769 1.00 0.00 H new ATOM 0 HH22 ARG A 22 12.830 -4.624 -0.498 1.00 0.00 H new ATOM 347 N GLU A 23 5.003 -8.565 3.669 1.00 0.00 N ATOM 348 CA GLU A 23 4.952 -9.928 4.186 1.00 0.00 C ATOM 349 C GLU A 23 3.709 -10.659 3.682 1.00 0.00 C ATOM 350 O GLU A 23 3.802 -11.774 3.173 1.00 0.00 O ATOM 351 CB GLU A 23 4.977 -9.921 5.720 1.00 0.00 C ATOM 352 CG GLU A 23 4.712 -11.283 6.345 1.00 0.00 C ATOM 353 CD GLU A 23 5.672 -12.347 5.852 1.00 0.00 C ATOM 354 OE1 GLU A 23 6.780 -11.985 5.400 1.00 0.00 O ATOM 355 OE2 GLU A 23 5.318 -13.543 5.918 1.00 0.00 O ATOM 0 H GLU A 23 4.790 -7.841 4.355 1.00 0.00 H new ATOM 0 HA GLU A 23 5.832 -10.459 3.822 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.949 -9.560 6.057 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.231 -9.214 6.083 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.790 -11.203 7.429 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.690 -11.589 6.121 1.00 0.00 H new ATOM 362 N ALA A 24 2.548 -10.030 3.832 1.00 0.00 N ATOM 363 CA ALA A 24 1.289 -10.631 3.399 1.00 0.00 C ATOM 364 C ALA A 24 1.268 -10.881 1.894 1.00 0.00 C ATOM 365 O ALA A 24 0.911 -11.971 1.445 1.00 0.00 O ATOM 366 CB ALA A 24 0.118 -9.750 3.804 1.00 0.00 C ATOM 0 H ALA A 24 2.451 -9.105 4.250 1.00 0.00 H new ATOM 0 HA ALA A 24 1.198 -11.598 3.894 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.814 -10.210 3.475 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.105 -9.638 4.888 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.223 -8.770 3.339 1.00 0.00 H new ATOM 372 N VAL A 25 1.641 -9.871 1.116 1.00 0.00 N ATOM 373 CA VAL A 25 1.651 -9.997 -0.338 1.00 0.00 C ATOM 374 C VAL A 25 2.470 -11.217 -0.768 1.00 0.00 C ATOM 375 O VAL A 25 1.959 -12.100 -1.456 1.00 0.00 O ATOM 376 CB VAL A 25 2.209 -8.710 -1.017 1.00 0.00 C ATOM 377 CG1 VAL A 25 3.660 -8.472 -0.627 1.00 0.00 C ATOM 378 CG2 VAL A 25 2.063 -8.804 -2.528 1.00 0.00 C ATOM 0 H VAL A 25 1.939 -8.960 1.465 1.00 0.00 H new ATOM 0 HA VAL A 25 0.619 -10.131 -0.664 1.00 0.00 H new ATOM 0 HB VAL A 25 1.627 -7.858 -0.666 1.00 0.00 H new ATOM 0 HG11 VAL A 25 4.024 -7.568 -1.115 1.00 0.00 H new ATOM 0 HG12 VAL A 25 3.732 -8.355 0.454 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.265 -9.322 -0.941 1.00 0.00 H new ATOM 0 HG21 VAL A 25 2.457 -7.898 -2.989 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.618 -9.668 -2.894 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.010 -8.913 -2.786 1.00 0.00 H new ATOM 388 N LYS A 26 3.729 -11.276 -0.345 1.00 0.00 N ATOM 389 CA LYS A 26 4.593 -12.403 -0.676 1.00 0.00 C ATOM 390 C LYS A 26 4.117 -13.676 0.028 1.00 0.00 C ATOM 391 O LYS A 26 4.130 -14.759 -0.556 1.00 0.00 O ATOM 392 CB LYS A 26 6.042 -12.098 -0.280 1.00 0.00 C ATOM 393 CG LYS A 26 7.059 -12.493 -1.341 1.00 0.00 C ATOM 394 CD LYS A 26 7.980 -13.600 -0.851 1.00 0.00 C ATOM 395 CE LYS A 26 9.327 -13.051 -0.406 1.00 0.00 C ATOM 396 NZ LYS A 26 10.458 -13.708 -1.118 1.00 0.00 N ATOM 0 H LYS A 26 4.173 -10.557 0.227 1.00 0.00 H new ATOM 0 HA LYS A 26 4.545 -12.563 -1.753 1.00 0.00 H new ATOM 0 HB2 LYS A 26 6.137 -11.031 -0.076 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.275 -12.622 0.647 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.538 -12.824 -2.240 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.652 -11.622 -1.619 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.508 -14.126 -0.021 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.129 -14.330 -1.647 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.359 -11.977 -0.588 1.00 0.00 H new ATOM 0 HE3 LYS A 26 9.441 -13.196 0.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 11.355 -13.446 -0.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 10.339 -14.740 -1.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 10.471 -13.397 -2.110 1.00 0.00 H new ATOM 410 N GLU A 27 3.698 -13.537 1.288 1.00 0.00 N ATOM 411 CA GLU A 27 3.220 -14.678 2.067 1.00 0.00 C ATOM 412 C GLU A 27 2.025 -15.339 1.389 1.00 0.00 C ATOM 413 O GLU A 27 1.981 -16.560 1.241 1.00 0.00 O ATOM 414 CB GLU A 27 2.837 -14.238 3.483 1.00 0.00 C ATOM 415 CG GLU A 27 2.277 -15.360 4.342 1.00 0.00 C ATOM 416 CD GLU A 27 3.299 -16.444 4.626 1.00 0.00 C ATOM 417 OE1 GLU A 27 3.708 -17.138 3.672 1.00 0.00 O ATOM 418 OE2 GLU A 27 3.689 -16.599 5.803 1.00 0.00 O ATOM 0 H GLU A 27 3.681 -12.648 1.788 1.00 0.00 H new ATOM 0 HA GLU A 27 4.030 -15.405 2.128 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.716 -13.821 3.974 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.098 -13.439 3.418 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.920 -14.947 5.285 1.00 0.00 H new ATOM 0 HG3 GLU A 27 1.415 -15.801 3.841 1.00 0.00 H new ATOM 425 N LEU A 28 1.059 -14.524 0.971 1.00 0.00 N ATOM 426 CA LEU A 28 -0.133 -15.033 0.300 1.00 0.00 C ATOM 427 C LEU A 28 0.244 -15.900 -0.900 1.00 0.00 C ATOM 428 O LEU A 28 -0.556 -16.708 -1.370 1.00 0.00 O ATOM 429 CB LEU A 28 -1.025 -13.872 -0.149 1.00 0.00 C ATOM 430 CG LEU A 28 -2.282 -13.656 0.696 1.00 0.00 C ATOM 431 CD1 LEU A 28 -3.202 -14.863 0.600 1.00 0.00 C ATOM 432 CD2 LEU A 28 -1.908 -13.383 2.145 1.00 0.00 C ATOM 0 H LEU A 28 1.079 -13.511 1.085 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.684 -15.651 1.009 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.436 -12.955 -0.137 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.326 -14.044 -1.183 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.814 -12.787 0.308 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.091 -14.692 1.207 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.496 -15.015 -0.439 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.680 -15.748 0.963 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.814 -13.232 2.732 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.354 -14.233 2.544 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.287 -12.489 2.198 1.00 0.00 H new ATOM 444 N GLY A 29 1.469 -15.725 -1.390 1.00 0.00 N ATOM 445 CA GLY A 29 1.931 -16.498 -2.528 1.00 0.00 C ATOM 446 C GLY A 29 2.166 -15.639 -3.753 1.00 0.00 C ATOM 447 O GLY A 29 1.801 -16.019 -4.866 1.00 0.00 O ATOM 0 H GLY A 29 2.149 -15.062 -1.019 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.856 -17.010 -2.264 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.196 -17.268 -2.763 1.00 0.00 H new ATOM 451 N ILE A 30 2.779 -14.478 -3.547 1.00 0.00 N ATOM 452 CA ILE A 30 3.067 -13.558 -4.641 1.00 0.00 C ATOM 453 C ILE A 30 3.874 -12.359 -4.151 1.00 0.00 C ATOM 454 O ILE A 30 3.383 -11.543 -3.373 1.00 0.00 O ATOM 455 CB ILE A 30 1.774 -13.048 -5.319 1.00 0.00 C ATOM 456 CG1 ILE A 30 0.609 -13.028 -4.325 1.00 0.00 C ATOM 457 CG2 ILE A 30 1.432 -13.910 -6.525 1.00 0.00 C ATOM 458 CD1 ILE A 30 -0.496 -12.068 -4.707 1.00 0.00 C ATOM 0 H ILE A 30 3.086 -14.152 -2.631 1.00 0.00 H new ATOM 0 HA ILE A 30 3.650 -14.118 -5.372 1.00 0.00 H new ATOM 0 HB ILE A 30 1.947 -12.027 -5.660 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.194 -14.033 -4.244 1.00 0.00 H new ATOM 0 HG13 ILE A 30 0.988 -12.759 -3.339 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.520 -13.538 -6.991 1.00 0.00 H new ATOM 0 HG22 ILE A 30 2.250 -13.870 -7.245 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.281 -14.941 -6.204 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.287 -12.107 -3.958 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.096 -11.055 -4.760 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.902 -12.349 -5.679 1.00 0.00 H new ATOM 470 N ASP A 31 5.113 -12.257 -4.620 1.00 0.00 N ATOM 471 CA ASP A 31 5.987 -11.159 -4.242 1.00 0.00 C ATOM 472 C ASP A 31 5.389 -9.834 -4.685 1.00 0.00 C ATOM 473 O ASP A 31 4.479 -9.800 -5.509 1.00 0.00 O ATOM 474 CB ASP A 31 7.376 -11.344 -4.859 1.00 0.00 C ATOM 475 CG ASP A 31 8.489 -11.044 -3.875 1.00 0.00 C ATOM 476 OD1 ASP A 31 8.611 -9.875 -3.455 1.00 0.00 O ATOM 477 OD2 ASP A 31 9.239 -11.979 -3.524 1.00 0.00 O ATOM 0 H ASP A 31 5.533 -12.926 -5.265 1.00 0.00 H new ATOM 0 HA ASP A 31 6.087 -11.154 -3.157 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.478 -12.368 -5.218 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.475 -10.691 -5.726 1.00 0.00 H new ATOM 482 N ALA A 32 5.899 -8.747 -4.133 1.00 0.00 N ATOM 483 CA ALA A 32 5.421 -7.431 -4.469 1.00 0.00 C ATOM 484 C ALA A 32 6.571 -6.455 -4.421 1.00 0.00 C ATOM 485 O ALA A 32 7.633 -6.757 -3.877 1.00 0.00 O ATOM 486 CB ALA A 32 4.324 -7.009 -3.510 1.00 0.00 C ATOM 0 H ALA A 32 6.651 -8.758 -3.444 1.00 0.00 H new ATOM 0 HA ALA A 32 5.005 -7.443 -5.476 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.972 -6.012 -3.776 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.496 -7.715 -3.571 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.715 -6.996 -2.493 1.00 0.00 H new ATOM 492 N GLU A 33 6.360 -5.283 -4.975 1.00 0.00 N ATOM 493 CA GLU A 33 7.389 -4.269 -4.971 1.00 0.00 C ATOM 494 C GLU A 33 6.828 -2.987 -4.387 1.00 0.00 C ATOM 495 O GLU A 33 5.976 -2.337 -4.995 1.00 0.00 O ATOM 496 CB GLU A 33 7.925 -4.020 -6.379 1.00 0.00 C ATOM 497 CG GLU A 33 8.091 -5.285 -7.206 1.00 0.00 C ATOM 498 CD GLU A 33 6.839 -5.640 -7.984 1.00 0.00 C ATOM 499 OE1 GLU A 33 6.548 -4.953 -8.986 1.00 0.00 O ATOM 500 OE2 GLU A 33 6.150 -6.605 -7.592 1.00 0.00 O ATOM 0 H GLU A 33 5.490 -5.009 -5.432 1.00 0.00 H new ATOM 0 HA GLU A 33 8.220 -4.617 -4.358 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.249 -3.343 -6.900 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.888 -3.515 -6.307 1.00 0.00 H new ATOM 0 HG2 GLU A 33 8.921 -5.155 -7.900 1.00 0.00 H new ATOM 0 HG3 GLU A 33 8.353 -6.113 -6.548 1.00 0.00 H new ATOM 507 N PHE A 34 7.283 -2.639 -3.197 1.00 0.00 N ATOM 508 CA PHE A 34 6.792 -1.447 -2.530 1.00 0.00 C ATOM 509 C PHE A 34 7.732 -0.266 -2.706 1.00 0.00 C ATOM 510 O PHE A 34 8.813 -0.214 -2.119 1.00 0.00 O ATOM 511 CB PHE A 34 6.560 -1.738 -1.050 1.00 0.00 C ATOM 512 CG PHE A 34 5.627 -2.896 -0.823 1.00 0.00 C ATOM 513 CD1 PHE A 34 6.032 -4.195 -1.092 1.00 0.00 C ATOM 514 CD2 PHE A 34 4.339 -2.683 -0.356 1.00 0.00 C ATOM 515 CE1 PHE A 34 5.171 -5.256 -0.898 1.00 0.00 C ATOM 516 CE2 PHE A 34 3.477 -3.742 -0.161 1.00 0.00 C ATOM 517 CZ PHE A 34 3.891 -5.029 -0.431 1.00 0.00 C ATOM 0 H PHE A 34 7.987 -3.161 -2.675 1.00 0.00 H new ATOM 0 HA PHE A 34 5.845 -1.171 -2.994 1.00 0.00 H new ATOM 0 HB2 PHE A 34 7.516 -1.949 -0.572 1.00 0.00 H new ATOM 0 HB3 PHE A 34 6.152 -0.849 -0.569 1.00 0.00 H new ATOM 0 HD1 PHE A 34 7.032 -4.378 -1.457 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.007 -1.678 -0.143 1.00 0.00 H new ATOM 0 HE1 PHE A 34 5.498 -6.263 -1.111 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.476 -3.563 0.204 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.216 -5.858 -0.278 1.00 0.00 H new ATOM 527 N GLU A 35 7.284 0.688 -3.509 1.00 0.00 N ATOM 528 CA GLU A 35 8.046 1.900 -3.773 1.00 0.00 C ATOM 529 C GLU A 35 7.269 3.110 -3.272 1.00 0.00 C ATOM 530 O GLU A 35 6.068 3.227 -3.518 1.00 0.00 O ATOM 531 CB GLU A 35 8.332 2.039 -5.270 1.00 0.00 C ATOM 532 CG GLU A 35 9.446 3.025 -5.587 1.00 0.00 C ATOM 533 CD GLU A 35 10.824 2.406 -5.459 1.00 0.00 C ATOM 534 OE1 GLU A 35 10.990 1.494 -4.623 1.00 0.00 O ATOM 535 OE2 GLU A 35 11.737 2.835 -6.196 1.00 0.00 O ATOM 0 H GLU A 35 6.387 0.645 -3.993 1.00 0.00 H new ATOM 0 HA GLU A 35 8.999 1.841 -3.247 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.597 1.062 -5.673 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.421 2.357 -5.778 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.314 3.403 -6.601 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.372 3.880 -4.915 1.00 0.00 H new ATOM 542 N LYS A 36 7.944 4.001 -2.558 1.00 0.00 N ATOM 543 CA LYS A 36 7.288 5.183 -2.017 1.00 0.00 C ATOM 544 C LYS A 36 7.123 6.263 -3.080 1.00 0.00 C ATOM 545 O LYS A 36 7.890 6.336 -4.039 1.00 0.00 O ATOM 546 CB LYS A 36 8.056 5.732 -0.819 1.00 0.00 C ATOM 547 CG LYS A 36 8.654 4.650 0.068 1.00 0.00 C ATOM 548 CD LYS A 36 10.174 4.653 0.011 1.00 0.00 C ATOM 549 CE LYS A 36 10.782 5.180 1.301 1.00 0.00 C ATOM 550 NZ LYS A 36 12.203 5.587 1.121 1.00 0.00 N ATOM 0 H LYS A 36 8.938 3.929 -2.341 1.00 0.00 H new ATOM 0 HA LYS A 36 6.295 4.882 -1.684 1.00 0.00 H new ATOM 0 HB2 LYS A 36 8.856 6.380 -1.177 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.387 6.351 -0.222 1.00 0.00 H new ATOM 0 HG2 LYS A 36 8.328 4.802 1.097 1.00 0.00 H new ATOM 0 HG3 LYS A 36 8.280 3.675 -0.245 1.00 0.00 H new ATOM 0 HD2 LYS A 36 10.534 3.641 -0.174 1.00 0.00 H new ATOM 0 HD3 LYS A 36 10.506 5.267 -0.826 1.00 0.00 H new ATOM 0 HE2 LYS A 36 10.202 6.033 1.653 1.00 0.00 H new ATOM 0 HE3 LYS A 36 10.719 4.412 2.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 12.580 5.940 2.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 12.762 4.767 0.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 12.261 6.338 0.404 1.00 0.00 H new ATOM 564 N ILE A 37 6.090 7.079 -2.907 1.00 0.00 N ATOM 565 CA ILE A 37 5.773 8.143 -3.847 1.00 0.00 C ATOM 566 C ILE A 37 5.629 9.477 -3.120 1.00 0.00 C ATOM 567 O ILE A 37 4.517 9.936 -2.859 1.00 0.00 O ATOM 568 CB ILE A 37 4.459 7.832 -4.612 1.00 0.00 C ATOM 569 CG1 ILE A 37 3.686 6.694 -3.925 1.00 0.00 C ATOM 570 CG2 ILE A 37 4.751 7.470 -6.058 1.00 0.00 C ATOM 571 CD1 ILE A 37 4.429 5.376 -3.904 1.00 0.00 C ATOM 0 H ILE A 37 5.452 7.021 -2.114 1.00 0.00 H new ATOM 0 HA ILE A 37 6.594 8.208 -4.561 1.00 0.00 H new ATOM 0 HB ILE A 37 3.840 8.729 -4.598 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.459 6.989 -2.900 1.00 0.00 H new ATOM 0 HG13 ILE A 37 2.733 6.555 -4.435 1.00 0.00 H new ATOM 0 HG21 ILE A 37 3.816 7.256 -6.575 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.254 8.304 -6.547 1.00 0.00 H new ATOM 0 HG23 ILE A 37 5.393 6.590 -6.090 1.00 0.00 H new ATOM 0 HD11 ILE A 37 3.820 4.623 -3.403 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.633 5.057 -4.926 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.370 5.497 -3.367 1.00 0.00 H new ATOM 583 N LYS A 38 6.761 10.092 -2.784 1.00 0.00 N ATOM 584 CA LYS A 38 6.750 11.367 -2.077 1.00 0.00 C ATOM 585 C LYS A 38 6.543 12.530 -3.041 1.00 0.00 C ATOM 586 O LYS A 38 7.476 13.272 -3.348 1.00 0.00 O ATOM 587 CB LYS A 38 8.057 11.555 -1.304 1.00 0.00 C ATOM 588 CG LYS A 38 8.044 12.752 -0.368 1.00 0.00 C ATOM 589 CD LYS A 38 7.124 12.519 0.820 1.00 0.00 C ATOM 590 CE LYS A 38 6.753 13.826 1.501 1.00 0.00 C ATOM 591 NZ LYS A 38 5.893 13.605 2.697 1.00 0.00 N ATOM 0 H LYS A 38 7.692 9.729 -2.989 1.00 0.00 H new ATOM 0 HA LYS A 38 5.917 11.354 -1.375 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.260 10.654 -0.725 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.876 11.669 -2.014 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.056 12.949 -0.013 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.719 13.638 -0.913 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.219 12.011 0.487 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.613 11.860 1.537 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.661 14.351 1.799 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.231 14.469 0.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.016 14.394 3.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.897 13.552 2.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.165 12.715 3.160 1.00 0.00 H new ATOM 605 N GLU A 39 5.307 12.683 -3.499 1.00 0.00 N ATOM 606 CA GLU A 39 4.946 13.760 -4.426 1.00 0.00 C ATOM 607 C GLU A 39 3.482 13.650 -4.840 1.00 0.00 C ATOM 608 O GLU A 39 3.074 12.638 -5.411 1.00 0.00 O ATOM 609 CB GLU A 39 5.836 13.722 -5.671 1.00 0.00 C ATOM 610 CG GLU A 39 5.902 15.048 -6.410 1.00 0.00 C ATOM 611 CD GLU A 39 6.376 16.186 -5.528 1.00 0.00 C ATOM 612 OE1 GLU A 39 7.106 15.915 -4.551 1.00 0.00 O ATOM 613 OE2 GLU A 39 6.017 17.348 -5.812 1.00 0.00 O ATOM 0 H GLU A 39 4.530 12.073 -3.244 1.00 0.00 H new ATOM 0 HA GLU A 39 5.097 14.708 -3.910 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.844 13.428 -5.378 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.464 12.955 -6.350 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.574 14.951 -7.263 1.00 0.00 H new ATOM 0 HG3 GLU A 39 4.915 15.288 -6.807 1.00 0.00 H new ATOM 620 N MET A 40 2.692 14.689 -4.558 1.00 0.00 N ATOM 621 CA MET A 40 1.275 14.682 -4.912 1.00 0.00 C ATOM 622 C MET A 40 1.085 14.364 -6.385 1.00 0.00 C ATOM 623 O MET A 40 0.101 13.728 -6.764 1.00 0.00 O ATOM 624 CB MET A 40 0.630 16.027 -4.573 1.00 0.00 C ATOM 625 CG MET A 40 -0.871 16.058 -4.807 1.00 0.00 C ATOM 626 SD MET A 40 -1.545 17.730 -4.773 1.00 0.00 S ATOM 627 CE MET A 40 -0.851 18.405 -6.281 1.00 0.00 C ATOM 0 H MET A 40 3.008 15.538 -4.089 1.00 0.00 H new ATOM 0 HA MET A 40 0.786 13.903 -4.328 1.00 0.00 H new ATOM 0 HB2 MET A 40 0.831 16.264 -3.528 1.00 0.00 H new ATOM 0 HB3 MET A 40 1.099 16.807 -5.173 1.00 0.00 H new ATOM 0 HG2 MET A 40 -1.094 15.600 -5.771 1.00 0.00 H new ATOM 0 HG3 MET A 40 -1.366 15.455 -4.046 1.00 0.00 H new ATOM 0 HE1 MET A 40 -1.452 19.252 -6.611 1.00 0.00 H new ATOM 0 HE2 MET A 40 0.171 18.736 -6.095 1.00 0.00 H new ATOM 0 HE3 MET A 40 -0.849 17.638 -7.056 1.00 0.00 H new ATOM 637 N ASP A 41 2.038 14.781 -7.215 1.00 0.00 N ATOM 638 CA ASP A 41 1.962 14.498 -8.642 1.00 0.00 C ATOM 639 C ASP A 41 1.724 13.008 -8.834 1.00 0.00 C ATOM 640 O ASP A 41 0.968 12.587 -9.708 1.00 0.00 O ATOM 641 CB ASP A 41 3.249 14.929 -9.348 1.00 0.00 C ATOM 642 CG ASP A 41 2.979 15.644 -10.656 1.00 0.00 C ATOM 643 OD1 ASP A 41 2.045 16.473 -10.698 1.00 0.00 O ATOM 644 OD2 ASP A 41 3.701 15.377 -11.640 1.00 0.00 O ATOM 0 H ASP A 41 2.862 15.309 -6.927 1.00 0.00 H new ATOM 0 HA ASP A 41 1.138 15.061 -9.080 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.819 15.585 -8.690 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.867 14.052 -9.538 1.00 0.00 H new ATOM 649 N GLN A 42 2.363 12.221 -7.974 1.00 0.00 N ATOM 650 CA GLN A 42 2.217 10.777 -7.995 1.00 0.00 C ATOM 651 C GLN A 42 1.010 10.359 -7.158 1.00 0.00 C ATOM 652 O GLN A 42 0.327 9.387 -7.478 1.00 0.00 O ATOM 653 CB GLN A 42 3.484 10.105 -7.459 1.00 0.00 C ATOM 654 CG GLN A 42 4.690 10.269 -8.368 1.00 0.00 C ATOM 655 CD GLN A 42 5.044 8.990 -9.103 1.00 0.00 C ATOM 656 OE1 GLN A 42 6.188 8.536 -9.066 1.00 0.00 O ATOM 657 NE2 GLN A 42 4.062 8.403 -9.777 1.00 0.00 N ATOM 0 H GLN A 42 2.992 12.567 -7.249 1.00 0.00 H new ATOM 0 HA GLN A 42 2.061 10.458 -9.026 1.00 0.00 H new ATOM 0 HB2 GLN A 42 3.719 10.521 -6.479 1.00 0.00 H new ATOM 0 HB3 GLN A 42 3.289 9.042 -7.316 1.00 0.00 H new ATOM 0 HG2 GLN A 42 4.489 11.057 -9.094 1.00 0.00 H new ATOM 0 HG3 GLN A 42 5.546 10.592 -7.775 1.00 0.00 H new ATOM 0 HE21 GLN A 42 3.129 8.814 -9.780 1.00 0.00 H new ATOM 0 HE22 GLN A 42 4.241 7.541 -10.292 1.00 0.00 H new ATOM 666 N ILE A 43 0.758 11.101 -6.076 1.00 0.00 N ATOM 667 CA ILE A 43 -0.361 10.803 -5.189 1.00 0.00 C ATOM 668 C ILE A 43 -1.690 10.880 -5.930 1.00 0.00 C ATOM 669 O ILE A 43 -2.469 9.929 -5.941 1.00 0.00 O ATOM 670 CB ILE A 43 -0.404 11.752 -3.975 1.00 0.00 C ATOM 671 CG1 ILE A 43 0.961 11.801 -3.283 1.00 0.00 C ATOM 672 CG2 ILE A 43 -1.473 11.298 -2.994 1.00 0.00 C ATOM 673 CD1 ILE A 43 0.987 12.684 -2.053 1.00 0.00 C ATOM 0 H ILE A 43 1.314 11.909 -5.797 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.205 9.786 -4.830 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.650 12.754 -4.327 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.252 10.789 -3.000 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.706 12.160 -3.993 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.495 11.975 -2.140 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.445 11.304 -3.487 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.247 10.289 -2.651 1.00 0.00 H new ATOM 0 HD11 ILE A 43 1.985 12.670 -1.616 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.728 13.705 -2.333 1.00 0.00 H new ATOM 0 HD13 ILE A 43 0.266 12.314 -1.324 1.00 0.00 H new ATOM 685 N LEU A 44 -1.931 12.020 -6.552 1.00 0.00 N ATOM 686 CA LEU A 44 -3.162 12.242 -7.305 1.00 0.00 C ATOM 687 C LEU A 44 -3.256 11.282 -8.488 1.00 0.00 C ATOM 688 O LEU A 44 -4.330 10.764 -8.793 1.00 0.00 O ATOM 689 CB LEU A 44 -3.249 13.706 -7.769 1.00 0.00 C ATOM 690 CG LEU A 44 -2.919 13.976 -9.243 1.00 0.00 C ATOM 691 CD1 LEU A 44 -3.443 15.341 -9.662 1.00 0.00 C ATOM 692 CD2 LEU A 44 -1.419 13.885 -9.480 1.00 0.00 C ATOM 0 H LEU A 44 -1.290 12.813 -6.553 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.010 12.042 -6.649 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.259 14.067 -7.574 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.574 14.300 -7.153 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.409 13.216 -9.851 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.201 15.518 -10.710 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.524 15.372 -9.529 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.980 16.113 -9.048 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.204 14.079 -10.531 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.908 14.623 -8.862 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.069 12.887 -9.217 1.00 0.00 H new ATOM 704 N GLU A 45 -2.123 11.039 -9.143 1.00 0.00 N ATOM 705 CA GLU A 45 -2.086 10.127 -10.282 1.00 0.00 C ATOM 706 C GLU A 45 -2.663 8.771 -9.894 1.00 0.00 C ATOM 707 O GLU A 45 -3.169 8.031 -10.738 1.00 0.00 O ATOM 708 CB GLU A 45 -0.653 9.962 -10.785 1.00 0.00 C ATOM 709 CG GLU A 45 -0.564 9.550 -12.246 1.00 0.00 C ATOM 710 CD GLU A 45 0.715 8.801 -12.564 1.00 0.00 C ATOM 711 OE1 GLU A 45 1.798 9.285 -12.173 1.00 0.00 O ATOM 712 OE2 GLU A 45 0.633 7.732 -13.204 1.00 0.00 O ATOM 0 H GLU A 45 -1.224 11.458 -8.906 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.692 10.550 -11.083 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.118 10.902 -10.648 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.146 9.215 -10.174 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.420 8.922 -12.495 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.626 10.438 -12.875 1.00 0.00 H new ATOM 719 N ALA A 46 -2.598 8.464 -8.603 1.00 0.00 N ATOM 720 CA ALA A 46 -3.125 7.215 -8.085 1.00 0.00 C ATOM 721 C ALA A 46 -4.643 7.247 -8.117 1.00 0.00 C ATOM 722 O ALA A 46 -5.295 6.253 -8.435 1.00 0.00 O ATOM 723 CB ALA A 46 -2.634 6.982 -6.664 1.00 0.00 C ATOM 0 H ALA A 46 -2.182 9.070 -7.895 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.772 6.395 -8.711 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.038 6.041 -6.289 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.545 6.937 -6.658 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.967 7.800 -6.025 1.00 0.00 H new ATOM 729 N GLY A 47 -5.197 8.408 -7.789 1.00 0.00 N ATOM 730 CA GLY A 47 -6.635 8.564 -7.785 1.00 0.00 C ATOM 731 C GLY A 47 -7.195 8.782 -6.392 1.00 0.00 C ATOM 732 O GLY A 47 -8.378 9.083 -6.236 1.00 0.00 O ATOM 0 H GLY A 47 -4.674 9.243 -7.526 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.907 9.409 -8.418 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.094 7.677 -8.222 1.00 0.00 H new ATOM 736 N LEU A 48 -6.347 8.633 -5.375 1.00 0.00 N ATOM 737 CA LEU A 48 -6.781 8.822 -3.995 1.00 0.00 C ATOM 738 C LEU A 48 -6.829 10.306 -3.636 1.00 0.00 C ATOM 739 O LEU A 48 -6.315 11.147 -4.372 1.00 0.00 O ATOM 740 CB LEU A 48 -5.881 8.043 -3.018 1.00 0.00 C ATOM 741 CG LEU A 48 -4.395 8.455 -2.914 1.00 0.00 C ATOM 742 CD1 LEU A 48 -3.490 7.305 -3.327 1.00 0.00 C ATOM 743 CD2 LEU A 48 -4.067 9.700 -3.729 1.00 0.00 C ATOM 0 H LEU A 48 -5.364 8.384 -5.481 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.791 8.423 -3.904 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.320 8.123 -2.024 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.917 6.990 -3.298 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.214 8.701 -1.868 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.448 7.615 -3.247 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.666 6.451 -2.673 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.707 7.024 -4.358 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.010 9.940 -3.617 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.287 9.515 -4.780 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.669 10.536 -3.374 1.00 0.00 H new ATOM 755 N THR A 49 -7.456 10.624 -2.507 1.00 0.00 N ATOM 756 CA THR A 49 -7.575 12.010 -2.068 1.00 0.00 C ATOM 757 C THR A 49 -7.142 12.185 -0.614 1.00 0.00 C ATOM 758 O THR A 49 -7.411 13.218 -0.001 1.00 0.00 O ATOM 759 CB THR A 49 -9.018 12.523 -2.223 1.00 0.00 C ATOM 760 OG1 THR A 49 -9.697 11.778 -3.241 1.00 0.00 O ATOM 761 CG2 THR A 49 -9.031 14.002 -2.579 1.00 0.00 C ATOM 0 H THR A 49 -7.888 9.943 -1.882 1.00 0.00 H new ATOM 0 HA THR A 49 -6.911 12.593 -2.707 1.00 0.00 H new ATOM 0 HB THR A 49 -9.531 12.389 -1.271 1.00 0.00 H new ATOM 0 HG1 THR A 49 -10.615 12.110 -3.332 1.00 0.00 H new ATOM 0 HG21 THR A 49 -10.061 14.342 -2.683 1.00 0.00 H new ATOM 0 HG22 THR A 49 -8.539 14.571 -1.790 1.00 0.00 H new ATOM 0 HG23 THR A 49 -8.502 14.155 -3.519 1.00 0.00 H new ATOM 769 N ALA A 50 -6.466 11.180 -0.067 1.00 0.00 N ATOM 770 CA ALA A 50 -5.997 11.241 1.311 1.00 0.00 C ATOM 771 C ALA A 50 -4.476 11.250 1.363 1.00 0.00 C ATOM 772 O ALA A 50 -3.812 11.087 0.338 1.00 0.00 O ATOM 773 CB ALA A 50 -6.554 10.079 2.114 1.00 0.00 C ATOM 0 H ALA A 50 -6.232 10.316 -0.556 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.357 12.169 1.755 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.193 10.140 3.141 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.643 10.122 2.109 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.226 9.139 1.670 1.00 0.00 H new ATOM 779 N LEU A 51 -3.923 11.457 2.553 1.00 0.00 N ATOM 780 CA LEU A 51 -2.478 11.504 2.712 1.00 0.00 C ATOM 781 C LEU A 51 -1.840 10.125 2.547 1.00 0.00 C ATOM 782 O LEU A 51 -1.182 9.861 1.541 1.00 0.00 O ATOM 783 CB LEU A 51 -2.102 12.118 4.065 1.00 0.00 C ATOM 784 CG LEU A 51 -1.754 13.606 4.027 1.00 0.00 C ATOM 785 CD1 LEU A 51 -1.960 14.237 5.396 1.00 0.00 C ATOM 786 CD2 LEU A 51 -0.320 13.807 3.555 1.00 0.00 C ATOM 0 H LEU A 51 -4.451 11.594 3.415 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.084 12.140 1.919 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.932 11.972 4.756 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.250 11.572 4.470 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.421 14.098 3.319 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.707 15.296 5.350 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.002 14.125 5.695 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.318 13.742 6.125 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.090 14.872 3.534 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.362 13.302 4.239 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.205 13.391 2.554 1.00 0.00 H new ATOM 798 N PRO A 52 -2.015 9.222 3.527 1.00 0.00 N ATOM 799 CA PRO A 52 -1.438 7.876 3.461 1.00 0.00 C ATOM 800 C PRO A 52 -2.146 6.989 2.443 1.00 0.00 C ATOM 801 O PRO A 52 -2.691 5.945 2.795 1.00 0.00 O ATOM 802 CB PRO A 52 -1.655 7.337 4.875 1.00 0.00 C ATOM 803 CG PRO A 52 -2.870 8.048 5.349 1.00 0.00 C ATOM 804 CD PRO A 52 -2.778 9.431 4.771 1.00 0.00 C ATOM 0 HA PRO A 52 -0.395 7.893 3.146 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -1.800 6.257 4.872 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -0.797 7.542 5.516 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -3.776 7.543 5.014 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -2.906 8.080 6.438 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -3.764 9.852 4.574 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -2.268 10.117 5.447 1.00 0.00 H new ATOM 812 N GLY A 53 -2.132 7.404 1.178 1.00 0.00 N ATOM 813 CA GLY A 53 -2.774 6.619 0.142 1.00 0.00 C ATOM 814 C GLY A 53 -1.915 5.455 -0.300 1.00 0.00 C ATOM 815 O GLY A 53 -0.687 5.550 -0.291 1.00 0.00 O ATOM 0 H GLY A 53 -1.690 8.265 0.856 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -3.730 6.245 0.510 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -2.990 7.257 -0.715 1.00 0.00 H new ATOM 819 N LEU A 54 -2.547 4.352 -0.682 1.00 0.00 N ATOM 820 CA LEU A 54 -1.807 3.178 -1.119 1.00 0.00 C ATOM 821 C LEU A 54 -2.545 2.449 -2.230 1.00 0.00 C ATOM 822 O LEU A 54 -3.591 1.841 -2.001 1.00 0.00 O ATOM 823 CB LEU A 54 -1.562 2.231 0.058 1.00 0.00 C ATOM 824 CG LEU A 54 -0.899 0.901 -0.306 1.00 0.00 C ATOM 825 CD1 LEU A 54 -0.124 0.346 0.879 1.00 0.00 C ATOM 826 CD2 LEU A 54 -1.943 -0.100 -0.778 1.00 0.00 C ATOM 0 H LEU A 54 -3.561 4.247 -0.698 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.846 3.514 -1.509 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.938 2.742 0.791 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.516 2.023 0.542 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.196 1.078 -1.120 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.340 -0.600 0.600 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.649 1.056 1.173 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.804 0.183 1.715 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.456 -1.041 -1.033 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.669 -0.271 0.017 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.454 0.294 -1.657 1.00 0.00 H new ATOM 838 N ALA A 55 -1.991 2.509 -3.435 1.00 0.00 N ATOM 839 CA ALA A 55 -2.600 1.845 -4.575 1.00 0.00 C ATOM 840 C ALA A 55 -1.925 0.505 -4.837 1.00 0.00 C ATOM 841 O ALA A 55 -0.704 0.430 -4.970 1.00 0.00 O ATOM 842 CB ALA A 55 -2.527 2.731 -5.809 1.00 0.00 C ATOM 0 H ALA A 55 -1.126 3.008 -3.645 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.650 1.661 -4.346 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.988 2.218 -6.653 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -3.057 3.664 -5.619 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -1.484 2.947 -6.041 1.00 0.00 H new ATOM 848 N VAL A 56 -2.723 -0.556 -4.898 1.00 0.00 N ATOM 849 CA VAL A 56 -2.190 -1.891 -5.132 1.00 0.00 C ATOM 850 C VAL A 56 -2.771 -2.522 -6.384 1.00 0.00 C ATOM 851 O VAL A 56 -3.961 -2.400 -6.667 1.00 0.00 O ATOM 852 CB VAL A 56 -2.448 -2.825 -3.939 1.00 0.00 C ATOM 853 CG1 VAL A 56 -1.293 -2.740 -2.961 1.00 0.00 C ATOM 854 CG2 VAL A 56 -3.769 -2.491 -3.257 1.00 0.00 C ATOM 0 H VAL A 56 -3.736 -0.517 -4.789 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.115 -1.766 -5.263 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.521 -3.849 -4.306 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.481 -3.404 -2.117 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.371 -3.039 -3.460 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.195 -1.716 -2.602 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.926 -3.167 -2.417 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.742 -1.463 -2.895 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.585 -2.603 -3.970 1.00 0.00 H new ATOM 864 N ASP A 57 -1.910 -3.205 -7.126 1.00 0.00 N ATOM 865 CA ASP A 57 -2.315 -3.873 -8.361 1.00 0.00 C ATOM 866 C ASP A 57 -3.154 -2.946 -9.241 1.00 0.00 C ATOM 867 O ASP A 57 -3.977 -3.406 -10.033 1.00 0.00 O ATOM 868 CB ASP A 57 -3.103 -5.146 -8.040 1.00 0.00 C ATOM 869 CG ASP A 57 -2.264 -6.400 -8.193 1.00 0.00 C ATOM 870 OD1 ASP A 57 -1.030 -6.276 -8.343 1.00 0.00 O ATOM 871 OD2 ASP A 57 -2.841 -7.507 -8.160 1.00 0.00 O ATOM 0 H ASP A 57 -0.922 -3.313 -6.895 1.00 0.00 H new ATOM 0 HA ASP A 57 -1.412 -4.139 -8.911 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.482 -5.088 -7.020 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.969 -5.209 -8.698 1.00 0.00 H new ATOM 876 N GLY A 58 -2.941 -1.641 -9.096 1.00 0.00 N ATOM 877 CA GLY A 58 -3.688 -0.677 -9.884 1.00 0.00 C ATOM 878 C GLY A 58 -5.076 -0.423 -9.328 1.00 0.00 C ATOM 879 O GLY A 58 -5.994 -0.065 -10.065 1.00 0.00 O ATOM 0 H GLY A 58 -2.266 -1.235 -8.448 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -3.137 0.263 -9.920 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -3.771 -1.037 -10.909 1.00 0.00 H new ATOM 883 N GLU A 59 -5.225 -0.607 -8.021 1.00 0.00 N ATOM 884 CA GLU A 59 -6.505 -0.399 -7.355 1.00 0.00 C ATOM 885 C GLU A 59 -6.289 0.090 -5.928 1.00 0.00 C ATOM 886 O GLU A 59 -6.031 -0.700 -5.020 1.00 0.00 O ATOM 887 CB GLU A 59 -7.318 -1.694 -7.347 1.00 0.00 C ATOM 888 CG GLU A 59 -8.046 -1.964 -8.654 1.00 0.00 C ATOM 889 CD GLU A 59 -8.740 -3.311 -8.667 1.00 0.00 C ATOM 890 OE1 GLU A 59 -8.113 -4.306 -8.249 1.00 0.00 O ATOM 891 OE2 GLU A 59 -9.912 -3.372 -9.095 1.00 0.00 O ATOM 0 H GLU A 59 -4.472 -0.901 -7.400 1.00 0.00 H new ATOM 0 HA GLU A 59 -7.060 0.361 -7.906 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -6.652 -2.530 -7.132 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -8.046 -1.651 -6.537 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -8.782 -1.178 -8.825 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -7.334 -1.918 -9.478 1.00 0.00 H new ATOM 898 N LEU A 60 -6.388 1.401 -5.739 1.00 0.00 N ATOM 899 CA LEU A 60 -6.196 2.000 -4.421 1.00 0.00 C ATOM 900 C LEU A 60 -7.420 1.805 -3.542 1.00 0.00 C ATOM 901 O LEU A 60 -8.557 1.878 -4.007 1.00 0.00 O ATOM 902 CB LEU A 60 -5.858 3.493 -4.529 1.00 0.00 C ATOM 903 CG LEU A 60 -6.377 4.204 -5.780 1.00 0.00 C ATOM 904 CD1 LEU A 60 -6.630 5.676 -5.492 1.00 0.00 C ATOM 905 CD2 LEU A 60 -5.389 4.045 -6.926 1.00 0.00 C ATOM 0 H LEU A 60 -6.600 2.070 -6.480 1.00 0.00 H new ATOM 0 HA LEU A 60 -5.353 1.489 -3.957 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.259 4.001 -3.652 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -4.774 3.604 -4.494 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.322 3.746 -6.072 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.999 6.165 -6.394 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.372 5.769 -4.699 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.701 6.150 -5.176 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.771 4.556 -7.810 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.430 4.479 -6.643 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.257 2.986 -7.148 1.00 0.00 H new ATOM 917 N LYS A 61 -7.171 1.554 -2.263 1.00 0.00 N ATOM 918 CA LYS A 61 -8.245 1.343 -1.300 1.00 0.00 C ATOM 919 C LYS A 61 -7.866 1.883 0.078 1.00 0.00 C ATOM 920 O LYS A 61 -8.584 1.661 1.054 1.00 0.00 O ATOM 921 CB LYS A 61 -8.583 -0.146 -1.204 1.00 0.00 C ATOM 922 CG LYS A 61 -9.777 -0.554 -2.053 1.00 0.00 C ATOM 923 CD LYS A 61 -11.025 -0.744 -1.206 1.00 0.00 C ATOM 924 CE LYS A 61 -12.240 -1.054 -2.066 1.00 0.00 C ATOM 925 NZ LYS A 61 -12.423 -0.048 -3.149 1.00 0.00 N ATOM 0 H LYS A 61 -6.233 1.491 -1.868 1.00 0.00 H new ATOM 0 HA LYS A 61 -9.122 1.888 -1.649 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.714 -0.728 -1.510 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -8.785 -0.398 -0.163 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -9.963 0.207 -2.811 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -9.550 -1.480 -2.581 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -10.864 -1.555 -0.496 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -11.211 0.158 -0.623 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -12.131 -2.045 -2.506 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -13.132 -1.080 -1.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -13.390 -0.115 -3.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -12.266 0.906 -2.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -11.741 -0.232 -3.912 1.00 0.00 H new ATOM 939 N ILE A 62 -6.741 2.591 0.158 1.00 0.00 N ATOM 940 CA ILE A 62 -6.288 3.153 1.422 1.00 0.00 C ATOM 941 C ILE A 62 -6.203 4.674 1.324 1.00 0.00 C ATOM 942 O ILE A 62 -5.520 5.208 0.452 1.00 0.00 O ATOM 943 CB ILE A 62 -4.917 2.557 1.828 1.00 0.00 C ATOM 944 CG1 ILE A 62 -5.117 1.348 2.741 1.00 0.00 C ATOM 945 CG2 ILE A 62 -4.036 3.596 2.508 1.00 0.00 C ATOM 946 CD1 ILE A 62 -5.614 0.117 2.015 1.00 0.00 C ATOM 0 H ILE A 62 -6.131 2.787 -0.636 1.00 0.00 H new ATOM 0 HA ILE A 62 -7.013 2.893 2.194 1.00 0.00 H new ATOM 0 HB ILE A 62 -4.409 2.236 0.919 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -4.172 1.114 3.232 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -5.828 1.609 3.525 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.082 3.143 2.779 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.862 4.428 1.826 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.532 3.962 3.407 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -5.733 -0.701 2.725 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -6.574 0.334 1.547 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -4.893 -0.169 1.249 1.00 0.00 H new ATOM 958 N MET A 63 -6.913 5.369 2.209 1.00 0.00 N ATOM 959 CA MET A 63 -6.918 6.828 2.196 1.00 0.00 C ATOM 960 C MET A 63 -7.042 7.413 3.602 1.00 0.00 C ATOM 961 O MET A 63 -8.070 7.250 4.259 1.00 0.00 O ATOM 962 CB MET A 63 -8.072 7.332 1.328 1.00 0.00 C ATOM 963 CG MET A 63 -7.709 7.485 -0.139 1.00 0.00 C ATOM 964 SD MET A 63 -9.156 7.508 -1.214 1.00 0.00 S ATOM 965 CE MET A 63 -10.065 8.891 -0.529 1.00 0.00 C ATOM 0 H MET A 63 -7.488 4.949 2.939 1.00 0.00 H new ATOM 0 HA MET A 63 -5.965 7.157 1.782 1.00 0.00 H new ATOM 0 HB2 MET A 63 -8.910 6.641 1.416 1.00 0.00 H new ATOM 0 HB3 MET A 63 -8.411 8.294 1.712 1.00 0.00 H new ATOM 0 HG2 MET A 63 -7.145 8.408 -0.275 1.00 0.00 H new ATOM 0 HG3 MET A 63 -7.055 6.665 -0.435 1.00 0.00 H new ATOM 0 HE1 MET A 63 -10.838 9.202 -1.232 1.00 0.00 H new ATOM 0 HE2 MET A 63 -10.529 8.592 0.411 1.00 0.00 H new ATOM 0 HE3 MET A 63 -9.383 9.722 -0.349 1.00 0.00 H new ATOM 975 N GLY A 64 -6.003 8.118 4.053 1.00 0.00 N ATOM 976 CA GLY A 64 -6.050 8.735 5.370 1.00 0.00 C ATOM 977 C GLY A 64 -5.634 7.805 6.492 1.00 0.00 C ATOM 978 O GLY A 64 -5.521 8.227 7.643 1.00 0.00 O ATOM 0 H GLY A 64 -5.138 8.271 3.535 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -5.400 9.610 5.375 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.063 9.089 5.560 1.00 0.00 H new ATOM 982 N ARG A 65 -5.402 6.541 6.164 1.00 0.00 N ATOM 983 CA ARG A 65 -4.993 5.557 7.161 1.00 0.00 C ATOM 984 C ARG A 65 -4.947 4.165 6.551 1.00 0.00 C ATOM 985 O ARG A 65 -5.986 3.541 6.328 1.00 0.00 O ATOM 986 CB ARG A 65 -5.949 5.570 8.358 1.00 0.00 C ATOM 987 CG ARG A 65 -7.416 5.619 7.965 1.00 0.00 C ATOM 988 CD ARG A 65 -8.297 4.955 9.012 1.00 0.00 C ATOM 989 NE ARG A 65 -8.814 3.667 8.555 1.00 0.00 N ATOM 990 CZ ARG A 65 -9.803 3.534 7.675 1.00 0.00 C ATOM 991 NH1 ARG A 65 -10.383 4.608 7.153 1.00 0.00 N ATOM 992 NH2 ARG A 65 -10.214 2.326 7.316 1.00 0.00 N ATOM 0 H ARG A 65 -5.489 6.172 5.217 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.994 5.823 7.507 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -5.773 4.680 8.962 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -5.721 6.432 8.985 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -7.724 6.656 7.834 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -7.553 5.122 7.005 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -7.725 4.811 9.929 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -9.130 5.614 9.256 1.00 0.00 H new ATOM 0 HE ARG A 65 -8.391 2.819 8.933 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -10.071 5.540 7.426 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -11.141 4.501 6.479 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -9.772 1.498 7.714 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -10.972 2.225 6.641 1.00 0.00 H new ATOM 1006 N VAL A 66 -3.740 3.678 6.281 1.00 0.00 N ATOM 1007 CA VAL A 66 -3.571 2.356 5.693 1.00 0.00 C ATOM 1008 C VAL A 66 -4.359 1.308 6.475 1.00 0.00 C ATOM 1009 O VAL A 66 -4.692 1.511 7.643 1.00 0.00 O ATOM 1010 CB VAL A 66 -2.090 1.931 5.649 1.00 0.00 C ATOM 1011 CG1 VAL A 66 -1.340 2.685 4.562 1.00 0.00 C ATOM 1012 CG2 VAL A 66 -1.428 2.141 7.003 1.00 0.00 C ATOM 0 H VAL A 66 -2.869 4.177 6.459 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.949 2.419 4.673 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.052 0.868 5.411 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.297 2.367 4.552 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.793 2.474 3.594 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.391 3.756 4.761 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.383 1.834 6.949 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.483 3.195 7.275 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.943 1.544 7.756 1.00 0.00 H new ATOM 1022 N ALA A 67 -4.652 0.186 5.827 1.00 0.00 N ATOM 1023 CA ALA A 67 -5.397 -0.892 6.465 1.00 0.00 C ATOM 1024 C ALA A 67 -4.486 -1.741 7.346 1.00 0.00 C ATOM 1025 O ALA A 67 -3.271 -1.546 7.368 1.00 0.00 O ATOM 1026 CB ALA A 67 -6.076 -1.758 5.414 1.00 0.00 C ATOM 0 H ALA A 67 -4.385 -0.000 4.860 1.00 0.00 H new ATOM 0 HA ALA A 67 -6.162 -0.446 7.101 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.629 -2.559 5.905 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.764 -1.148 4.829 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -5.322 -2.188 4.755 1.00 0.00 H new ATOM 1032 N SER A 68 -5.080 -2.683 8.071 1.00 0.00 N ATOM 1033 CA SER A 68 -4.319 -3.561 8.952 1.00 0.00 C ATOM 1034 C SER A 68 -3.948 -4.856 8.238 1.00 0.00 C ATOM 1035 O SER A 68 -4.473 -5.158 7.166 1.00 0.00 O ATOM 1036 CB SER A 68 -5.124 -3.872 10.216 1.00 0.00 C ATOM 1037 OG SER A 68 -4.814 -2.961 11.255 1.00 0.00 O ATOM 0 H SER A 68 -6.085 -2.858 8.066 1.00 0.00 H new ATOM 0 HA SER A 68 -3.400 -3.047 9.234 1.00 0.00 H new ATOM 0 HB2 SER A 68 -6.190 -3.825 9.993 1.00 0.00 H new ATOM 0 HB3 SER A 68 -4.912 -4.889 10.545 1.00 0.00 H new ATOM 0 HG SER A 68 -5.343 -3.180 12.051 1.00 0.00 H new ATOM 1043 N LYS A 69 -3.039 -5.619 8.839 1.00 0.00 N ATOM 1044 CA LYS A 69 -2.597 -6.885 8.257 1.00 0.00 C ATOM 1045 C LYS A 69 -3.785 -7.794 7.951 1.00 0.00 C ATOM 1046 O LYS A 69 -3.803 -8.486 6.934 1.00 0.00 O ATOM 1047 CB LYS A 69 -1.629 -7.595 9.207 1.00 0.00 C ATOM 1048 CG LYS A 69 -1.006 -8.848 8.612 1.00 0.00 C ATOM 1049 CD LYS A 69 -1.847 -10.080 8.906 1.00 0.00 C ATOM 1050 CE LYS A 69 -1.022 -11.353 8.808 1.00 0.00 C ATOM 1051 NZ LYS A 69 -0.753 -11.735 7.394 1.00 0.00 N ATOM 0 H LYS A 69 -2.594 -5.384 9.727 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.084 -6.664 7.321 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.836 -6.903 9.489 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -2.159 -7.861 10.121 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -0.900 -8.727 7.534 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.003 -8.985 9.017 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.276 -9.999 9.905 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -2.680 -10.130 8.204 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -0.077 -11.214 9.332 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.548 -12.165 9.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -0.188 -12.608 7.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -1.654 -11.893 6.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -0.229 -10.971 6.922 1.00 0.00 H new ATOM 1065 N GLU A 70 -4.777 -7.786 8.837 1.00 0.00 N ATOM 1066 CA GLU A 70 -5.967 -8.608 8.655 1.00 0.00 C ATOM 1067 C GLU A 70 -6.817 -8.080 7.503 1.00 0.00 C ATOM 1068 O GLU A 70 -7.407 -8.854 6.749 1.00 0.00 O ATOM 1069 CB GLU A 70 -6.790 -8.640 9.946 1.00 0.00 C ATOM 1070 CG GLU A 70 -7.100 -10.045 10.435 1.00 0.00 C ATOM 1071 CD GLU A 70 -8.408 -10.122 11.196 1.00 0.00 C ATOM 1072 OE1 GLU A 70 -9.471 -9.929 10.570 1.00 0.00 O ATOM 1073 OE2 GLU A 70 -8.370 -10.374 12.419 1.00 0.00 O ATOM 0 H GLU A 70 -4.780 -7.220 9.686 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.650 -9.622 8.412 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.249 -8.104 10.726 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.726 -8.106 9.784 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.140 -10.722 9.582 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.289 -10.389 11.077 1.00 0.00 H new ATOM 1080 N GLU A 71 -6.872 -6.758 7.374 1.00 0.00 N ATOM 1081 CA GLU A 71 -7.648 -6.126 6.313 1.00 0.00 C ATOM 1082 C GLU A 71 -7.016 -6.388 4.950 1.00 0.00 C ATOM 1083 O GLU A 71 -7.689 -6.828 4.017 1.00 0.00 O ATOM 1084 CB GLU A 71 -7.752 -4.620 6.557 1.00 0.00 C ATOM 1085 CG GLU A 71 -8.841 -4.237 7.546 1.00 0.00 C ATOM 1086 CD GLU A 71 -10.172 -3.969 6.873 1.00 0.00 C ATOM 1087 OE1 GLU A 71 -10.177 -3.700 5.654 1.00 0.00 O ATOM 1088 OE2 GLU A 71 -11.210 -4.028 7.565 1.00 0.00 O ATOM 0 H GLU A 71 -6.389 -6.104 7.990 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.648 -6.558 6.321 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -6.794 -4.253 6.925 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.942 -4.119 5.608 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -8.962 -5.038 8.276 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -8.531 -3.349 8.096 1.00 0.00 H new ATOM 1095 N ILE A 72 -5.720 -6.115 4.841 1.00 0.00 N ATOM 1096 CA ILE A 72 -4.997 -6.323 3.592 1.00 0.00 C ATOM 1097 C ILE A 72 -5.071 -7.784 3.156 1.00 0.00 C ATOM 1098 O ILE A 72 -5.254 -8.081 1.975 1.00 0.00 O ATOM 1099 CB ILE A 72 -3.518 -5.903 3.720 1.00 0.00 C ATOM 1100 CG1 ILE A 72 -2.811 -6.022 2.368 1.00 0.00 C ATOM 1101 CG2 ILE A 72 -2.812 -6.747 4.771 1.00 0.00 C ATOM 1102 CD1 ILE A 72 -1.378 -5.536 2.392 1.00 0.00 C ATOM 0 H ILE A 72 -5.149 -5.749 5.603 1.00 0.00 H new ATOM 0 HA ILE A 72 -5.475 -5.698 2.838 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.480 -4.861 4.038 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.828 -7.064 2.049 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.367 -5.452 1.624 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.770 -6.436 4.847 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -3.302 -6.612 5.735 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -2.857 -7.798 4.484 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.939 -5.650 1.401 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.355 -4.485 2.681 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.807 -6.123 3.112 1.00 0.00 H new ATOM 1114 N LYS A 73 -4.931 -8.690 4.118 1.00 0.00 N ATOM 1115 CA LYS A 73 -4.985 -10.119 3.834 1.00 0.00 C ATOM 1116 C LYS A 73 -6.349 -10.507 3.275 1.00 0.00 C ATOM 1117 O LYS A 73 -6.461 -11.424 2.463 1.00 0.00 O ATOM 1118 CB LYS A 73 -4.691 -10.924 5.102 1.00 0.00 C ATOM 1119 CG LYS A 73 -4.489 -12.407 4.846 1.00 0.00 C ATOM 1120 CD LYS A 73 -4.556 -13.210 6.134 1.00 0.00 C ATOM 1121 CE LYS A 73 -4.122 -14.650 5.915 1.00 0.00 C ATOM 1122 NZ LYS A 73 -4.990 -15.348 4.927 1.00 0.00 N ATOM 0 H LYS A 73 -4.779 -8.460 5.100 1.00 0.00 H new ATOM 0 HA LYS A 73 -4.226 -10.347 3.085 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -3.798 -10.521 5.579 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -5.514 -10.794 5.804 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -5.251 -12.765 4.153 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -3.523 -12.566 4.367 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -3.918 -12.747 6.887 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -5.574 -13.191 6.524 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -3.089 -14.669 5.568 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -4.149 -15.186 6.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -4.714 -16.349 4.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -5.983 -15.279 5.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -4.880 -14.904 3.993 1.00 0.00 H new ATOM 1136 N LYS A 74 -7.385 -9.799 3.717 1.00 0.00 N ATOM 1137 CA LYS A 74 -8.743 -10.066 3.260 1.00 0.00 C ATOM 1138 C LYS A 74 -8.942 -9.568 1.833 1.00 0.00 C ATOM 1139 O LYS A 74 -9.709 -10.147 1.063 1.00 0.00 O ATOM 1140 CB LYS A 74 -9.756 -9.397 4.192 1.00 0.00 C ATOM 1141 CG LYS A 74 -10.037 -10.192 5.458 1.00 0.00 C ATOM 1142 CD LYS A 74 -11.404 -10.853 5.412 1.00 0.00 C ATOM 1143 CE LYS A 74 -11.385 -12.222 6.074 1.00 0.00 C ATOM 1144 NZ LYS A 74 -12.429 -13.125 5.513 1.00 0.00 N ATOM 0 H LYS A 74 -7.309 -9.037 4.391 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.902 -11.144 3.275 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -9.386 -8.409 4.468 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -10.691 -9.248 3.652 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -9.268 -10.954 5.588 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -9.981 -9.531 6.323 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -12.134 -10.216 5.912 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -11.726 -10.954 4.375 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -10.403 -12.676 5.941 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.541 -12.109 7.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -12.383 -14.048 5.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -13.368 -12.704 5.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -12.265 -13.254 4.494 1.00 0.00 H new ATOM 1158 N ILE A 75 -8.242 -8.493 1.485 1.00 0.00 N ATOM 1159 CA ILE A 75 -8.334 -7.920 0.150 1.00 0.00 C ATOM 1160 C ILE A 75 -7.560 -8.774 -0.848 1.00 0.00 C ATOM 1161 O ILE A 75 -7.987 -8.958 -1.988 1.00 0.00 O ATOM 1162 CB ILE A 75 -7.796 -6.470 0.126 1.00 0.00 C ATOM 1163 CG1 ILE A 75 -8.805 -5.524 0.781 1.00 0.00 C ATOM 1164 CG2 ILE A 75 -7.494 -6.023 -1.297 1.00 0.00 C ATOM 1165 CD1 ILE A 75 -8.254 -4.137 1.037 1.00 0.00 C ATOM 0 H ILE A 75 -7.604 -8.002 2.111 1.00 0.00 H new ATOM 0 HA ILE A 75 -9.386 -7.901 -0.133 1.00 0.00 H new ATOM 0 HB ILE A 75 -6.865 -6.441 0.692 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -9.685 -5.445 0.142 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -9.135 -5.955 1.726 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -7.117 -5.000 -1.285 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -6.743 -6.681 -1.733 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -8.405 -6.067 -1.893 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -9.023 -3.520 1.502 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -7.392 -4.205 1.701 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -7.950 -3.686 0.092 1.00 0.00 H new ATOM 1177 N LEU A 76 -6.420 -9.290 -0.408 1.00 0.00 N ATOM 1178 CA LEU A 76 -5.581 -10.122 -1.257 1.00 0.00 C ATOM 1179 C LEU A 76 -6.316 -11.392 -1.673 1.00 0.00 C ATOM 1180 O LEU A 76 -6.275 -11.793 -2.836 1.00 0.00 O ATOM 1181 CB LEU A 76 -4.283 -10.483 -0.532 1.00 0.00 C ATOM 1182 CG LEU A 76 -3.321 -9.315 -0.305 1.00 0.00 C ATOM 1183 CD1 LEU A 76 -2.035 -9.802 0.345 1.00 0.00 C ATOM 1184 CD2 LEU A 76 -3.024 -8.607 -1.618 1.00 0.00 C ATOM 0 H LEU A 76 -6.055 -9.146 0.534 1.00 0.00 H new ATOM 0 HA LEU A 76 -5.340 -9.553 -2.155 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.534 -10.920 0.434 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.767 -11.253 -1.105 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.796 -8.602 0.369 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -1.363 -8.958 0.499 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.265 -10.263 1.306 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.555 -10.535 -0.303 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.338 -7.779 -1.438 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.569 -9.310 -2.316 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.952 -8.224 -2.043 1.00 0.00 H new ATOM 1196 N SER A 77 -6.989 -12.020 -0.714 1.00 0.00 N ATOM 1197 CA SER A 77 -7.734 -13.246 -0.979 1.00 0.00 C ATOM 1198 C SER A 77 -6.809 -14.349 -1.478 1.00 0.00 C ATOM 1199 O SER A 77 -5.575 -14.151 -1.435 1.00 0.00 O ATOM 1200 CB SER A 77 -8.836 -12.985 -2.008 1.00 0.00 C ATOM 1201 OG SER A 77 -9.266 -11.635 -1.965 1.00 0.00 O ATOM 1202 OXT SER A 77 -7.323 -15.403 -1.908 1.00 0.00 O ATOM 0 H SER A 77 -7.034 -11.700 0.254 1.00 0.00 H new ATOM 0 HA SER A 77 -8.188 -13.574 -0.044 1.00 0.00 H new ATOM 0 HB2 SER A 77 -8.468 -13.221 -3.007 1.00 0.00 H new ATOM 0 HB3 SER A 77 -9.681 -13.645 -1.815 1.00 0.00 H new ATOM 0 HG SER A 77 -9.969 -11.494 -2.633 1.00 0.00 H new TER 1208 SER A 77