USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 579 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 65 SER OG : rot 115:sc= 1.44 USER MOD Set 1.2: A 69 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 12 MET CE :methyl -173:sc= -0.0472 (180deg=-0.00621) USER MOD Set 2.2: A 17 CYS SG : rot -158:sc= -1.62 USER MOD Set 3.1: A 3 SER OG : rot -129:sc= 0.717 USER MOD Set 3.2: A 47 TYR OH : rot 180:sc= 0.0859 USER MOD Single : A 1 ASN : amide:sc= 0.499 K(o=0.5,f=-0.1) USER MOD Single : A 1 ASN N :NH3+ -109:sc= 0.0405 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 25:sc= 0.715 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HE2:sc= -1.47 X(o=-1.5,f=-1.4) USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -127:sc= 2.44 (180deg=-0.398) USER MOD Single : A 16 SER OG : rot 180:sc= 0.0449 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 0.151 X(o=0.15,f=0) USER MOD Single : A 23 SER OG : rot 87:sc= 1.22 USER MOD Single : A 24 THR OG1 : rot -120:sc= -0.0561 USER MOD Single : A 26 SER OG : rot -39:sc= 0.857 USER MOD Single : A 29 GLN : amide:sc= 0.348 X(o=0.35,f=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -170:sc= 1.06 USER MOD Single : A 33 SER OG : rot 27:sc= 1.2 USER MOD Single : A 37 SER OG : rot -124:sc= 1.29 USER MOD Single : A 40 ASN : amide:sc= 1.1 K(o=1.1,f=-1.9) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0.987 K(o=0.99,f=-0.25) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc=-0.00582 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.125 USER MOD Single : A 56 SER OG : rot -79:sc= 1.25 USER MOD Single : A 59 LYS NZ :NH3+ 170:sc= 1.08! (180deg=0.863!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -12.587 -13.507 -8.990 1.00 0.00 N ATOM 2 CA ASN A 1 -11.304 -13.411 -8.280 1.00 0.00 C ATOM 3 C ASN A 1 -11.227 -12.194 -7.336 1.00 0.00 C ATOM 4 O ASN A 1 -11.971 -11.227 -7.498 1.00 0.00 O ATOM 5 CB ASN A 1 -10.195 -13.333 -9.351 1.00 0.00 C ATOM 6 CG ASN A 1 -8.792 -13.586 -8.807 1.00 0.00 C ATOM 7 OD1 ASN A 1 -8.327 -14.714 -8.780 1.00 0.00 O ATOM 8 ND2 ASN A 1 -8.072 -12.568 -8.379 1.00 0.00 N ATOM 0 H1 ASN A 1 -13.133 -14.308 -8.614 1.00 0.00 H new ATOM 0 H2 ASN A 1 -13.125 -12.628 -8.855 1.00 0.00 H new ATOM 0 H3 ASN A 1 -12.412 -13.653 -10.005 1.00 0.00 H new ATOM 0 HA ASN A 1 -11.186 -14.286 -7.641 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -10.407 -14.061 -10.134 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -10.222 -12.348 -9.816 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -7.128 -12.724 -8.026 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -8.459 -11.625 -8.401 1.00 0.00 H new ATOM 15 N ASP A 2 -10.278 -12.217 -6.395 1.00 0.00 N ATOM 16 CA ASP A 2 -9.874 -11.069 -5.584 1.00 0.00 C ATOM 17 C ASP A 2 -9.495 -9.850 -6.454 1.00 0.00 C ATOM 18 O ASP A 2 -9.084 -9.980 -7.610 1.00 0.00 O ATOM 19 CB ASP A 2 -8.681 -11.472 -4.706 1.00 0.00 C ATOM 20 CG ASP A 2 -8.957 -12.706 -3.842 1.00 0.00 C ATOM 21 OD1 ASP A 2 -9.006 -13.819 -4.408 1.00 0.00 O ATOM 22 OD2 ASP A 2 -9.125 -12.518 -2.611 1.00 0.00 O ATOM 0 H ASP A 2 -9.754 -13.063 -6.171 1.00 0.00 H new ATOM 0 HA ASP A 2 -10.721 -10.776 -4.964 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -7.819 -11.668 -5.344 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -8.415 -10.636 -4.059 1.00 0.00 H new ATOM 27 N SER A 3 -9.603 -8.650 -5.887 1.00 0.00 N ATOM 28 CA SER A 3 -9.217 -7.400 -6.542 1.00 0.00 C ATOM 29 C SER A 3 -7.747 -7.043 -6.271 1.00 0.00 C ATOM 30 O SER A 3 -7.025 -7.734 -5.549 1.00 0.00 O ATOM 31 CB SER A 3 -10.172 -6.290 -6.087 1.00 0.00 C ATOM 32 OG SER A 3 -10.031 -5.092 -6.839 1.00 0.00 O ATOM 0 H SER A 3 -9.967 -8.516 -4.944 1.00 0.00 H new ATOM 0 HA SER A 3 -9.299 -7.519 -7.622 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.199 -6.646 -6.170 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.994 -6.074 -5.034 1.00 0.00 H new ATOM 0 HG SER A 3 -9.922 -4.333 -6.228 1.00 0.00 H new ATOM 38 N THR A 4 -7.276 -5.942 -6.860 1.00 0.00 N ATOM 39 CA THR A 4 -5.876 -5.499 -6.812 1.00 0.00 C ATOM 40 C THR A 4 -5.775 -4.025 -7.170 1.00 0.00 C ATOM 41 O THR A 4 -6.552 -3.511 -7.973 1.00 0.00 O ATOM 42 CB THR A 4 -4.998 -6.392 -7.707 1.00 0.00 C ATOM 43 OG1 THR A 4 -4.762 -7.581 -7.010 1.00 0.00 O ATOM 44 CG2 THR A 4 -3.611 -5.843 -8.047 1.00 0.00 C ATOM 0 H THR A 4 -7.873 -5.315 -7.399 1.00 0.00 H new ATOM 0 HA THR A 4 -5.498 -5.604 -5.795 1.00 0.00 H new ATOM 0 HB THR A 4 -5.549 -6.489 -8.643 1.00 0.00 H new ATOM 0 HG1 THR A 4 -5.483 -7.729 -6.363 1.00 0.00 H new ATOM 0 HG21 THR A 4 -3.083 -6.555 -8.681 1.00 0.00 H new ATOM 0 HG22 THR A 4 -3.714 -4.895 -8.574 1.00 0.00 H new ATOM 0 HG23 THR A 4 -3.046 -5.687 -7.128 1.00 0.00 H new ATOM 52 N ALA A 5 -4.805 -3.342 -6.567 1.00 0.00 N ATOM 53 CA ALA A 5 -4.464 -1.957 -6.870 1.00 0.00 C ATOM 54 C ALA A 5 -2.981 -1.660 -6.608 1.00 0.00 C ATOM 55 O ALA A 5 -2.309 -2.361 -5.837 1.00 0.00 O ATOM 56 CB ALA A 5 -5.373 -1.030 -6.054 1.00 0.00 C ATOM 0 H ALA A 5 -4.221 -3.748 -5.836 1.00 0.00 H new ATOM 0 HA ALA A 5 -4.627 -1.780 -7.933 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -5.125 0.008 -6.274 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -6.414 -1.218 -6.316 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -5.227 -1.220 -4.991 1.00 0.00 H new ATOM 62 N THR A 6 -2.506 -0.587 -7.249 1.00 0.00 N ATOM 63 CA THR A 6 -1.130 -0.095 -7.182 1.00 0.00 C ATOM 64 C THR A 6 -1.103 1.283 -6.553 1.00 0.00 C ATOM 65 O THR A 6 -1.893 2.165 -6.898 1.00 0.00 O ATOM 66 CB THR A 6 -0.506 -0.002 -8.570 1.00 0.00 C ATOM 67 OG1 THR A 6 -0.672 -1.230 -9.234 1.00 0.00 O ATOM 68 CG2 THR A 6 0.987 0.304 -8.491 1.00 0.00 C ATOM 0 H THR A 6 -3.096 -0.015 -7.853 1.00 0.00 H new ATOM 0 HA THR A 6 -0.558 -0.801 -6.580 1.00 0.00 H new ATOM 0 HB THR A 6 -1.002 0.805 -9.109 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.274 -1.175 -10.128 1.00 0.00 H new ATOM 0 HG21 THR A 6 1.400 0.363 -9.498 1.00 0.00 H new ATOM 0 HG22 THR A 6 1.137 1.255 -7.981 1.00 0.00 H new ATOM 0 HG23 THR A 6 1.492 -0.488 -7.938 1.00 0.00 H new ATOM 76 N PHE A 7 -0.126 1.463 -5.672 1.00 0.00 N ATOM 77 CA PHE A 7 0.103 2.683 -4.916 1.00 0.00 C ATOM 78 C PHE A 7 1.593 3.025 -4.899 1.00 0.00 C ATOM 79 O PHE A 7 2.457 2.151 -4.826 1.00 0.00 O ATOM 80 CB PHE A 7 -0.442 2.558 -3.486 1.00 0.00 C ATOM 81 CG PHE A 7 -1.852 1.980 -3.394 1.00 0.00 C ATOM 82 CD1 PHE A 7 -2.090 0.589 -3.461 1.00 0.00 C ATOM 83 CD2 PHE A 7 -2.955 2.853 -3.340 1.00 0.00 C ATOM 84 CE1 PHE A 7 -3.394 0.092 -3.531 1.00 0.00 C ATOM 85 CE2 PHE A 7 -4.265 2.348 -3.394 1.00 0.00 C ATOM 86 CZ PHE A 7 -4.486 0.970 -3.510 1.00 0.00 C ATOM 0 H PHE A 7 0.554 0.733 -5.458 1.00 0.00 H new ATOM 0 HA PHE A 7 -0.435 3.494 -5.407 1.00 0.00 H new ATOM 0 HB2 PHE A 7 0.234 1.928 -2.907 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -0.436 3.544 -3.021 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -1.256 -0.097 -3.458 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -2.793 3.918 -3.257 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -3.561 -0.973 -3.602 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -5.105 3.025 -3.346 1.00 0.00 H new ATOM 0 HZ PHE A 7 -5.493 0.586 -3.583 1.00 0.00 H new ATOM 96 N ILE A 8 1.914 4.311 -4.947 1.00 0.00 N ATOM 97 CA ILE A 8 3.274 4.832 -4.982 1.00 0.00 C ATOM 98 C ILE A 8 3.446 5.975 -3.990 1.00 0.00 C ATOM 99 O ILE A 8 2.576 6.835 -3.888 1.00 0.00 O ATOM 100 CB ILE A 8 3.606 5.206 -6.442 1.00 0.00 C ATOM 101 CG1 ILE A 8 5.122 5.437 -6.554 1.00 0.00 C ATOM 102 CG2 ILE A 8 2.819 6.403 -6.995 1.00 0.00 C ATOM 103 CD1 ILE A 8 5.674 5.184 -7.955 1.00 0.00 C ATOM 0 H ILE A 8 1.208 5.047 -4.963 1.00 0.00 H new ATOM 0 HA ILE A 8 3.993 4.078 -4.661 1.00 0.00 H new ATOM 0 HB ILE A 8 3.292 4.370 -7.066 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.348 6.463 -6.263 1.00 0.00 H new ATOM 0 HG13 ILE A 8 5.634 4.785 -5.847 1.00 0.00 H new ATOM 0 HG21 ILE A 8 3.119 6.591 -8.026 1.00 0.00 H new ATOM 0 HG22 ILE A 8 1.752 6.183 -6.962 1.00 0.00 H new ATOM 0 HG23 ILE A 8 3.026 7.286 -6.390 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.749 5.366 -7.961 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.479 4.151 -8.242 1.00 0.00 H new ATOM 0 HD13 ILE A 8 5.189 5.855 -8.664 1.00 0.00 H new ATOM 115 N ILE A 9 4.540 5.937 -3.227 1.00 0.00 N ATOM 116 CA ILE A 9 4.780 6.808 -2.083 1.00 0.00 C ATOM 117 C ILE A 9 6.033 7.661 -2.300 1.00 0.00 C ATOM 118 O ILE A 9 7.159 7.172 -2.211 1.00 0.00 O ATOM 119 CB ILE A 9 4.987 5.999 -0.775 1.00 0.00 C ATOM 120 CG1 ILE A 9 4.055 4.815 -0.411 1.00 0.00 C ATOM 121 CG2 ILE A 9 4.960 7.019 0.382 1.00 0.00 C ATOM 122 CD1 ILE A 9 3.979 3.618 -1.351 1.00 0.00 C ATOM 0 H ILE A 9 5.302 5.280 -3.395 1.00 0.00 H new ATOM 0 HA ILE A 9 3.896 7.439 -1.989 1.00 0.00 H new ATOM 0 HB ILE A 9 5.927 5.476 -0.952 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.360 4.446 0.568 1.00 0.00 H new ATOM 0 HG13 ILE A 9 3.046 5.212 -0.302 1.00 0.00 H new ATOM 0 HG21 ILE A 9 5.102 6.499 1.329 1.00 0.00 H new ATOM 0 HG22 ILE A 9 5.760 7.747 0.244 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.999 7.533 0.391 1.00 0.00 H new ATOM 0 HD11 ILE A 9 3.283 2.882 -0.948 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.633 3.946 -2.331 1.00 0.00 H new ATOM 0 HD13 ILE A 9 4.967 3.168 -1.447 1.00 0.00 H new ATOM 134 N ASP A 10 5.835 8.963 -2.469 1.00 0.00 N ATOM 135 CA ASP A 10 6.920 9.946 -2.414 1.00 0.00 C ATOM 136 C ASP A 10 7.128 10.337 -0.935 1.00 0.00 C ATOM 137 O ASP A 10 6.439 11.200 -0.389 1.00 0.00 O ATOM 138 CB ASP A 10 6.569 11.158 -3.293 1.00 0.00 C ATOM 139 CG ASP A 10 7.306 11.289 -4.638 1.00 0.00 C ATOM 140 OD1 ASP A 10 8.418 10.743 -4.790 1.00 0.00 O ATOM 141 OD2 ASP A 10 6.771 12.039 -5.493 1.00 0.00 O ATOM 0 H ASP A 10 4.918 9.371 -2.649 1.00 0.00 H new ATOM 0 HA ASP A 10 7.851 9.533 -2.803 1.00 0.00 H new ATOM 0 HB2 ASP A 10 5.498 11.129 -3.496 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.760 12.062 -2.714 1.00 0.00 H new ATOM 146 N GLY A 11 8.039 9.635 -0.262 1.00 0.00 N ATOM 147 CA GLY A 11 8.345 9.824 1.168 1.00 0.00 C ATOM 148 C GLY A 11 8.952 8.600 1.843 1.00 0.00 C ATOM 149 O GLY A 11 9.794 8.732 2.727 1.00 0.00 O ATOM 0 H GLY A 11 8.600 8.903 -0.698 1.00 0.00 H new ATOM 0 HA2 GLY A 11 9.034 10.662 1.273 1.00 0.00 H new ATOM 0 HA3 GLY A 11 7.429 10.097 1.691 1.00 0.00 H new ATOM 153 N MET A 12 8.535 7.401 1.423 1.00 0.00 N ATOM 154 CA MET A 12 8.930 6.140 2.065 1.00 0.00 C ATOM 155 C MET A 12 10.458 5.973 2.052 1.00 0.00 C ATOM 156 O MET A 12 11.068 6.093 0.998 1.00 0.00 O ATOM 157 CB MET A 12 8.141 4.978 1.426 1.00 0.00 C ATOM 158 CG MET A 12 8.721 4.414 0.129 1.00 0.00 C ATOM 159 SD MET A 12 7.615 3.270 -0.730 1.00 0.00 S ATOM 160 CE MET A 12 8.385 1.663 -0.430 1.00 0.00 C ATOM 0 H MET A 12 7.912 7.276 0.625 1.00 0.00 H new ATOM 0 HA MET A 12 8.667 6.144 3.123 1.00 0.00 H new ATOM 0 HB2 MET A 12 8.071 4.169 2.153 1.00 0.00 H new ATOM 0 HB3 MET A 12 7.125 5.319 1.229 1.00 0.00 H new ATOM 0 HG2 MET A 12 8.963 5.241 -0.539 1.00 0.00 H new ATOM 0 HG3 MET A 12 9.656 3.901 0.353 1.00 0.00 H new ATOM 0 HE1 MET A 12 7.869 0.898 -1.010 1.00 0.00 H new ATOM 0 HE2 MET A 12 9.432 1.700 -0.729 1.00 0.00 H new ATOM 0 HE3 MET A 12 8.319 1.420 0.631 1.00 0.00 H new ATOM 170 N HIS A 13 11.077 5.723 3.212 1.00 0.00 N ATOM 171 CA HIS A 13 12.533 5.723 3.499 1.00 0.00 C ATOM 172 C HIS A 13 13.435 4.708 2.737 1.00 0.00 C ATOM 173 O HIS A 13 14.322 4.079 3.320 1.00 0.00 O ATOM 174 CB HIS A 13 12.753 5.578 5.014 1.00 0.00 C ATOM 175 CG HIS A 13 11.937 6.503 5.870 1.00 0.00 C ATOM 176 ND1 HIS A 13 12.363 7.658 6.494 1.00 0.00 N ATOM 177 CD2 HIS A 13 10.627 6.321 6.206 1.00 0.00 C ATOM 178 CE1 HIS A 13 11.325 8.154 7.183 1.00 0.00 C ATOM 179 NE2 HIS A 13 10.247 7.367 7.038 1.00 0.00 N ATOM 0 H HIS A 13 10.537 5.496 4.047 1.00 0.00 H new ATOM 0 HA HIS A 13 12.867 6.685 3.109 1.00 0.00 H new ATOM 0 HB2 HIS A 13 12.528 4.551 5.301 1.00 0.00 H new ATOM 0 HB3 HIS A 13 13.808 5.746 5.229 1.00 0.00 H new ATOM 0 HD1 HIS A 13 13.298 8.061 6.441 1.00 0.00 H new ATOM 0 HD2 HIS A 13 9.996 5.507 5.882 1.00 0.00 H new ATOM 0 HE1 HIS A 13 11.352 9.059 7.772 1.00 0.00 H new ATOM 187 N CYS A 14 13.186 4.524 1.444 1.00 0.00 N ATOM 188 CA CYS A 14 13.970 3.843 0.411 1.00 0.00 C ATOM 189 C CYS A 14 14.032 2.322 0.548 1.00 0.00 C ATOM 190 O CYS A 14 13.879 1.624 -0.448 1.00 0.00 O ATOM 191 CB CYS A 14 15.369 4.474 0.334 1.00 0.00 C ATOM 192 SG CYS A 14 15.227 6.130 -0.391 1.00 0.00 S ATOM 0 H CYS A 14 12.324 4.894 1.044 1.00 0.00 H new ATOM 0 HA CYS A 14 13.444 3.994 -0.532 1.00 0.00 H new ATOM 0 HB2 CYS A 14 15.811 4.535 1.329 1.00 0.00 H new ATOM 0 HB3 CYS A 14 16.030 3.853 -0.271 1.00 0.00 H new ATOM 0 HG CYS A 14 16.405 6.676 -0.460 1.00 0.00 H new ATOM 198 N LYS A 15 14.327 1.792 1.732 1.00 0.00 N ATOM 199 CA LYS A 15 14.522 0.357 1.960 1.00 0.00 C ATOM 200 C LYS A 15 13.654 -0.134 3.129 1.00 0.00 C ATOM 201 O LYS A 15 12.647 -0.795 2.896 1.00 0.00 O ATOM 202 CB LYS A 15 16.046 0.102 2.110 1.00 0.00 C ATOM 203 CG LYS A 15 16.860 0.386 0.818 1.00 0.00 C ATOM 204 CD LYS A 15 16.583 -0.675 -0.260 1.00 0.00 C ATOM 205 CE LYS A 15 16.695 -0.290 -1.749 1.00 0.00 C ATOM 206 NZ LYS A 15 15.866 0.873 -2.140 1.00 0.00 N ATOM 0 H LYS A 15 14.440 2.354 2.576 1.00 0.00 H new ATOM 0 HA LYS A 15 14.180 -0.240 1.114 1.00 0.00 H new ATOM 0 HB2 LYS A 15 16.432 0.727 2.916 1.00 0.00 H new ATOM 0 HB3 LYS A 15 16.204 -0.935 2.407 1.00 0.00 H new ATOM 0 HG2 LYS A 15 16.604 1.373 0.434 1.00 0.00 H new ATOM 0 HG3 LYS A 15 17.925 0.401 1.052 1.00 0.00 H new ATOM 0 HD2 LYS A 15 17.267 -1.505 -0.085 1.00 0.00 H new ATOM 0 HD3 LYS A 15 15.574 -1.053 -0.095 1.00 0.00 H new ATOM 0 HE2 LYS A 15 17.738 -0.072 -1.979 1.00 0.00 H new ATOM 0 HE3 LYS A 15 16.407 -1.148 -2.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 15.273 0.618 -2.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 15.258 1.150 -1.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 16.484 1.669 -2.397 1.00 0.00 H new ATOM 220 N SER A 16 13.944 0.261 4.366 1.00 0.00 N ATOM 221 CA SER A 16 13.166 -0.122 5.558 1.00 0.00 C ATOM 222 C SER A 16 11.682 0.262 5.487 1.00 0.00 C ATOM 223 O SER A 16 10.885 -0.343 6.194 1.00 0.00 O ATOM 224 CB SER A 16 13.799 0.502 6.812 1.00 0.00 C ATOM 225 OG SER A 16 15.217 0.505 6.714 1.00 0.00 O ATOM 0 H SER A 16 14.737 0.866 4.580 1.00 0.00 H new ATOM 0 HA SER A 16 13.199 -1.211 5.604 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.437 1.522 6.938 1.00 0.00 H new ATOM 0 HB3 SER A 16 13.492 -0.057 7.696 1.00 0.00 H new ATOM 0 HG SER A 16 15.600 0.908 7.521 1.00 0.00 H new ATOM 231 N CYS A 17 11.278 1.200 4.610 1.00 0.00 N ATOM 232 CA CYS A 17 9.884 1.457 4.297 1.00 0.00 C ATOM 233 C CYS A 17 9.148 0.169 3.939 1.00 0.00 C ATOM 234 O CYS A 17 8.109 -0.094 4.534 1.00 0.00 O ATOM 235 CB CYS A 17 9.818 2.433 3.113 1.00 0.00 C ATOM 236 SG CYS A 17 10.989 2.010 1.790 1.00 0.00 S ATOM 0 H CYS A 17 11.927 1.800 4.101 1.00 0.00 H new ATOM 0 HA CYS A 17 9.401 1.886 5.175 1.00 0.00 H new ATOM 0 HB2 CYS A 17 8.806 2.439 2.709 1.00 0.00 H new ATOM 0 HB3 CYS A 17 10.026 3.443 3.468 1.00 0.00 H new ATOM 0 HG CYS A 17 11.228 3.065 1.068 1.00 0.00 H new ATOM 242 N VAL A 18 9.710 -0.621 3.018 1.00 0.00 N ATOM 243 CA VAL A 18 9.037 -1.749 2.380 1.00 0.00 C ATOM 244 C VAL A 18 8.506 -2.745 3.406 1.00 0.00 C ATOM 245 O VAL A 18 7.334 -3.103 3.344 1.00 0.00 O ATOM 246 CB VAL A 18 10.014 -2.367 1.347 1.00 0.00 C ATOM 247 CG1 VAL A 18 9.905 -3.871 1.090 1.00 0.00 C ATOM 248 CG2 VAL A 18 9.909 -1.533 0.064 1.00 0.00 C ATOM 0 H VAL A 18 10.667 -0.488 2.691 1.00 0.00 H new ATOM 0 HA VAL A 18 8.146 -1.414 1.849 1.00 0.00 H new ATOM 0 HB VAL A 18 11.011 -2.314 1.785 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.646 -4.168 0.347 1.00 0.00 H new ATOM 0 HG12 VAL A 18 10.085 -4.413 2.019 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.907 -4.106 0.721 1.00 0.00 H new ATOM 0 HG21 VAL A 18 10.584 -1.938 -0.690 1.00 0.00 H new ATOM 0 HG22 VAL A 18 8.886 -1.567 -0.310 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.182 -0.500 0.278 1.00 0.00 H new ATOM 258 N SER A 19 9.314 -3.043 4.424 1.00 0.00 N ATOM 259 CA SER A 19 8.962 -4.008 5.473 1.00 0.00 C ATOM 260 C SER A 19 7.791 -3.528 6.356 1.00 0.00 C ATOM 261 O SER A 19 6.921 -4.324 6.728 1.00 0.00 O ATOM 262 CB SER A 19 10.246 -4.279 6.274 1.00 0.00 C ATOM 263 OG SER A 19 10.044 -5.109 7.402 1.00 0.00 O ATOM 0 H SER A 19 10.235 -2.622 4.547 1.00 0.00 H new ATOM 0 HA SER A 19 8.593 -4.933 5.031 1.00 0.00 H new ATOM 0 HB2 SER A 19 10.982 -4.744 5.618 1.00 0.00 H new ATOM 0 HB3 SER A 19 10.667 -3.329 6.603 1.00 0.00 H new ATOM 0 HG SER A 19 10.897 -5.244 7.866 1.00 0.00 H new ATOM 269 N ASN A 20 7.683 -2.218 6.623 1.00 0.00 N ATOM 270 CA ASN A 20 6.477 -1.663 7.253 1.00 0.00 C ATOM 271 C ASN A 20 5.263 -1.798 6.330 1.00 0.00 C ATOM 272 O ASN A 20 4.184 -2.172 6.784 1.00 0.00 O ATOM 273 CB ASN A 20 6.606 -0.171 7.552 1.00 0.00 C ATOM 274 CG ASN A 20 7.688 0.227 8.522 1.00 0.00 C ATOM 275 OD1 ASN A 20 7.485 0.358 9.716 1.00 0.00 O ATOM 276 ND2 ASN A 20 8.864 0.513 8.021 1.00 0.00 N ATOM 0 H ASN A 20 8.407 -1.530 6.415 1.00 0.00 H new ATOM 0 HA ASN A 20 6.353 -2.228 8.177 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.781 0.352 6.612 1.00 0.00 H new ATOM 0 HB3 ASN A 20 5.651 0.183 7.941 1.00 0.00 H new ATOM 0 HD21 ASN A 20 9.611 0.846 8.631 1.00 0.00 H new ATOM 0 HD22 ASN A 20 9.033 0.403 7.021 1.00 0.00 H new ATOM 283 N ILE A 21 5.422 -1.452 5.043 1.00 0.00 N ATOM 284 CA ILE A 21 4.277 -1.377 4.117 1.00 0.00 C ATOM 285 C ILE A 21 3.684 -2.769 3.883 1.00 0.00 C ATOM 286 O ILE A 21 2.465 -2.889 3.919 1.00 0.00 O ATOM 287 CB ILE A 21 4.577 -0.619 2.795 1.00 0.00 C ATOM 288 CG1 ILE A 21 5.591 0.548 2.966 1.00 0.00 C ATOM 289 CG2 ILE A 21 3.220 -0.172 2.210 1.00 0.00 C ATOM 290 CD1 ILE A 21 5.438 1.758 2.036 1.00 0.00 C ATOM 0 H ILE A 21 6.322 -1.222 4.621 1.00 0.00 H new ATOM 0 HA ILE A 21 3.520 -0.764 4.606 1.00 0.00 H new ATOM 0 HB ILE A 21 5.083 -1.283 2.094 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.525 0.903 3.994 1.00 0.00 H new ATOM 0 HG13 ILE A 21 6.595 0.145 2.832 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.386 0.366 1.277 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.600 -1.048 2.018 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.715 0.481 2.921 1.00 0.00 H new ATOM 0 HD11 ILE A 21 6.209 2.493 2.266 1.00 0.00 H new ATOM 0 HD12 ILE A 21 5.541 1.436 1.000 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.455 2.206 2.181 1.00 0.00 H new ATOM 302 N GLU A 22 4.527 -3.801 3.755 1.00 0.00 N ATOM 303 CA GLU A 22 4.126 -5.213 3.764 1.00 0.00 C ATOM 304 C GLU A 22 3.255 -5.500 4.998 1.00 0.00 C ATOM 305 O GLU A 22 2.143 -6.009 4.886 1.00 0.00 O ATOM 306 CB GLU A 22 5.398 -6.092 3.780 1.00 0.00 C ATOM 307 CG GLU A 22 6.030 -6.264 2.392 1.00 0.00 C ATOM 308 CD GLU A 22 7.470 -6.778 2.493 1.00 0.00 C ATOM 309 OE1 GLU A 22 8.341 -5.990 2.929 1.00 0.00 O ATOM 310 OE2 GLU A 22 7.691 -7.962 2.172 1.00 0.00 O ATOM 0 H GLU A 22 5.532 -3.674 3.639 1.00 0.00 H new ATOM 0 HA GLU A 22 3.541 -5.441 2.873 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.131 -5.648 4.453 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.149 -7.074 4.183 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.434 -6.961 1.803 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.019 -5.310 1.865 1.00 0.00 H new ATOM 317 N SER A 23 3.742 -5.120 6.177 1.00 0.00 N ATOM 318 CA SER A 23 3.132 -5.466 7.463 1.00 0.00 C ATOM 319 C SER A 23 1.799 -4.775 7.776 1.00 0.00 C ATOM 320 O SER A 23 0.851 -5.441 8.196 1.00 0.00 O ATOM 321 CB SER A 23 4.144 -5.157 8.579 1.00 0.00 C ATOM 322 OG SER A 23 5.369 -5.848 8.397 1.00 0.00 O ATOM 0 H SER A 23 4.585 -4.554 6.269 1.00 0.00 H new ATOM 0 HA SER A 23 2.887 -6.526 7.401 1.00 0.00 H new ATOM 0 HB2 SER A 23 4.335 -4.084 8.608 1.00 0.00 H new ATOM 0 HB3 SER A 23 3.714 -5.430 9.543 1.00 0.00 H new ATOM 0 HG SER A 23 5.957 -5.323 7.814 1.00 0.00 H new ATOM 328 N THR A 24 1.718 -3.451 7.598 1.00 0.00 N ATOM 329 CA THR A 24 0.529 -2.642 7.910 1.00 0.00 C ATOM 330 C THR A 24 -0.604 -2.940 6.945 1.00 0.00 C ATOM 331 O THR A 24 -1.766 -2.995 7.351 1.00 0.00 O ATOM 332 CB THR A 24 0.918 -1.153 7.930 1.00 0.00 C ATOM 333 OG1 THR A 24 1.767 -0.993 9.038 1.00 0.00 O ATOM 334 CG2 THR A 24 -0.261 -0.202 8.130 1.00 0.00 C ATOM 0 H THR A 24 2.491 -2.899 7.226 1.00 0.00 H new ATOM 0 HA THR A 24 0.156 -2.905 8.900 1.00 0.00 H new ATOM 0 HB THR A 24 1.365 -0.907 6.966 1.00 0.00 H new ATOM 0 HG1 THR A 24 1.374 -0.346 9.660 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.098 0.827 8.132 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.977 -0.335 7.319 1.00 0.00 H new ATOM 0 HG23 THR A 24 -0.746 -0.419 9.082 1.00 0.00 H new ATOM 342 N LEU A 25 -0.262 -3.158 5.677 1.00 0.00 N ATOM 343 CA LEU A 25 -1.220 -3.553 4.656 1.00 0.00 C ATOM 344 C LEU A 25 -1.628 -5.009 4.819 1.00 0.00 C ATOM 345 O LEU A 25 -2.823 -5.247 4.900 1.00 0.00 O ATOM 346 CB LEU A 25 -0.666 -3.276 3.256 1.00 0.00 C ATOM 347 CG LEU A 25 -0.589 -1.795 2.807 1.00 0.00 C ATOM 348 CD1 LEU A 25 -1.898 -1.411 2.108 1.00 0.00 C ATOM 349 CD2 LEU A 25 -0.284 -0.776 3.921 1.00 0.00 C ATOM 0 H LEU A 25 0.693 -3.064 5.331 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.119 -2.950 4.782 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.337 -3.699 3.199 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.281 -3.816 2.536 1.00 0.00 H new ATOM 0 HG LEU A 25 0.266 -1.742 2.132 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.849 -0.370 1.790 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.046 -2.050 1.237 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.731 -1.540 2.799 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.253 0.228 3.497 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.063 -0.825 4.682 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.680 -1.009 4.373 1.00 0.00 H new ATOM 361 N SER A 26 -0.712 -5.982 4.931 1.00 0.00 N ATOM 362 CA SER A 26 -1.080 -7.417 4.976 1.00 0.00 C ATOM 363 C SER A 26 -1.767 -7.843 6.296 1.00 0.00 C ATOM 364 O SER A 26 -1.869 -9.032 6.605 1.00 0.00 O ATOM 365 CB SER A 26 0.146 -8.300 4.689 1.00 0.00 C ATOM 366 OG SER A 26 -0.225 -9.665 4.571 1.00 0.00 O ATOM 0 H SER A 26 0.291 -5.808 4.993 1.00 0.00 H new ATOM 0 HA SER A 26 -1.822 -7.564 4.191 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.629 -7.970 3.769 1.00 0.00 H new ATOM 0 HB3 SER A 26 0.876 -8.186 5.490 1.00 0.00 H new ATOM 0 HG SER A 26 -0.910 -9.877 5.239 1.00 0.00 H new ATOM 372 N ALA A 27 -2.249 -6.870 7.072 1.00 0.00 N ATOM 373 CA ALA A 27 -3.031 -7.046 8.292 1.00 0.00 C ATOM 374 C ALA A 27 -4.491 -6.585 8.120 1.00 0.00 C ATOM 375 O ALA A 27 -5.300 -6.727 9.046 1.00 0.00 O ATOM 376 CB ALA A 27 -2.325 -6.254 9.400 1.00 0.00 C ATOM 0 H ALA A 27 -2.094 -5.886 6.852 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.086 -8.104 8.547 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.880 -6.359 10.332 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.314 -6.638 9.534 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -2.279 -5.201 9.122 1.00 0.00 H new ATOM 382 N LEU A 28 -4.863 -5.995 6.974 1.00 0.00 N ATOM 383 CA LEU A 28 -6.179 -5.386 6.811 1.00 0.00 C ATOM 384 C LEU A 28 -7.249 -6.475 6.702 1.00 0.00 C ATOM 385 O LEU A 28 -7.116 -7.426 5.935 1.00 0.00 O ATOM 386 CB LEU A 28 -6.192 -4.441 5.599 1.00 0.00 C ATOM 387 CG LEU A 28 -5.220 -3.252 5.729 1.00 0.00 C ATOM 388 CD1 LEU A 28 -4.913 -2.650 4.355 1.00 0.00 C ATOM 389 CD2 LEU A 28 -5.812 -2.166 6.627 1.00 0.00 C ATOM 0 H LEU A 28 -4.266 -5.930 6.150 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.407 -4.782 7.689 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.939 -5.009 4.704 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.203 -4.059 5.459 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.298 -3.627 6.174 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.225 -1.812 4.470 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.457 -3.409 3.719 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.838 -2.300 3.896 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.110 -1.336 6.705 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.749 -1.810 6.198 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.000 -2.577 7.619 1.00 0.00 H new ATOM 401 N GLN A 29 -8.350 -6.311 7.433 1.00 0.00 N ATOM 402 CA GLN A 29 -9.385 -7.339 7.612 1.00 0.00 C ATOM 403 C GLN A 29 -10.154 -7.684 6.317 1.00 0.00 C ATOM 404 O GLN A 29 -11.014 -8.556 6.332 1.00 0.00 O ATOM 405 CB GLN A 29 -10.322 -6.896 8.753 1.00 0.00 C ATOM 406 CG GLN A 29 -9.611 -6.553 10.084 1.00 0.00 C ATOM 407 CD GLN A 29 -8.903 -7.744 10.727 1.00 0.00 C ATOM 408 OE1 GLN A 29 -9.498 -8.506 11.465 1.00 0.00 O ATOM 409 NE2 GLN A 29 -7.626 -7.969 10.486 1.00 0.00 N ATOM 0 H GLN A 29 -8.556 -5.444 7.929 1.00 0.00 H new ATOM 0 HA GLN A 29 -8.894 -8.274 7.881 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -10.885 -6.023 8.423 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -11.045 -7.690 8.938 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -8.882 -5.763 9.903 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -10.345 -6.156 10.786 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -7.105 -7.344 9.870 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -7.159 -8.768 10.915 1.00 0.00 H new ATOM 418 N TYR A 30 -9.820 -7.040 5.193 1.00 0.00 N ATOM 419 CA TYR A 30 -10.288 -7.360 3.840 1.00 0.00 C ATOM 420 C TYR A 30 -9.196 -7.781 2.831 1.00 0.00 C ATOM 421 O TYR A 30 -9.547 -8.102 1.699 1.00 0.00 O ATOM 422 CB TYR A 30 -11.041 -6.134 3.293 1.00 0.00 C ATOM 423 CG TYR A 30 -10.436 -4.762 3.581 1.00 0.00 C ATOM 424 CD1 TYR A 30 -9.101 -4.446 3.238 1.00 0.00 C ATOM 425 CD2 TYR A 30 -11.236 -3.782 4.207 1.00 0.00 C ATOM 426 CE1 TYR A 30 -8.608 -3.152 3.465 1.00 0.00 C ATOM 427 CE2 TYR A 30 -10.731 -2.494 4.464 1.00 0.00 C ATOM 428 CZ TYR A 30 -9.415 -2.169 4.078 1.00 0.00 C ATOM 429 OH TYR A 30 -8.929 -0.919 4.308 1.00 0.00 O ATOM 0 H TYR A 30 -9.185 -6.242 5.203 1.00 0.00 H new ATOM 0 HA TYR A 30 -10.924 -8.239 3.942 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -11.129 -6.245 2.212 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -12.053 -6.150 3.698 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -8.462 -5.199 2.802 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -12.249 -4.024 4.493 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -7.600 -2.905 3.167 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -11.349 -1.757 4.955 1.00 0.00 H new ATOM 0 HH TYR A 30 -9.621 -0.373 4.736 1.00 0.00 H new ATOM 439 N VAL A 31 -7.891 -7.720 3.141 1.00 0.00 N ATOM 440 CA VAL A 31 -6.842 -7.908 2.109 1.00 0.00 C ATOM 441 C VAL A 31 -6.382 -9.368 2.044 1.00 0.00 C ATOM 442 O VAL A 31 -6.146 -9.995 3.071 1.00 0.00 O ATOM 443 CB VAL A 31 -5.668 -6.910 2.224 1.00 0.00 C ATOM 444 CG1 VAL A 31 -4.780 -7.156 3.398 1.00 0.00 C ATOM 445 CG2 VAL A 31 -4.722 -6.891 1.011 1.00 0.00 C ATOM 0 H VAL A 31 -7.534 -7.545 4.080 1.00 0.00 H new ATOM 0 HA VAL A 31 -7.306 -7.671 1.152 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.201 -5.964 2.314 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.980 -6.416 3.411 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.361 -7.078 4.317 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.349 -8.155 3.325 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.929 -6.162 1.179 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.284 -7.880 0.876 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.282 -6.617 0.117 1.00 0.00 H new ATOM 455 N SER A 32 -6.266 -9.909 0.832 1.00 0.00 N ATOM 456 CA SER A 32 -5.872 -11.305 0.600 1.00 0.00 C ATOM 457 C SER A 32 -4.358 -11.478 0.427 1.00 0.00 C ATOM 458 O SER A 32 -3.835 -12.559 0.686 1.00 0.00 O ATOM 459 CB SER A 32 -6.598 -11.829 -0.649 1.00 0.00 C ATOM 460 OG SER A 32 -7.961 -12.040 -0.361 1.00 0.00 O ATOM 0 H SER A 32 -6.444 -9.389 -0.027 1.00 0.00 H new ATOM 0 HA SER A 32 -6.156 -11.877 1.484 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.497 -11.114 -1.465 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.140 -12.760 -0.982 1.00 0.00 H new ATOM 0 HG SER A 32 -8.381 -12.526 -1.102 1.00 0.00 H new ATOM 466 N SER A 33 -3.633 -10.441 -0.007 1.00 0.00 N ATOM 467 CA SER A 33 -2.223 -10.488 -0.410 1.00 0.00 C ATOM 468 C SER A 33 -1.650 -9.106 -0.772 1.00 0.00 C ATOM 469 O SER A 33 -2.345 -8.092 -0.837 1.00 0.00 O ATOM 470 CB SER A 33 -2.044 -11.469 -1.581 1.00 0.00 C ATOM 471 OG SER A 33 -1.902 -12.788 -1.100 1.00 0.00 O ATOM 0 H SER A 33 -4.030 -9.505 -0.091 1.00 0.00 H new ATOM 0 HA SER A 33 -1.658 -10.838 0.454 1.00 0.00 H new ATOM 0 HB2 SER A 33 -2.904 -11.409 -2.249 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.167 -11.192 -2.165 1.00 0.00 H new ATOM 0 HG SER A 33 -2.357 -12.872 -0.236 1.00 0.00 H new ATOM 477 N ILE A 34 -0.353 -9.066 -1.051 1.00 0.00 N ATOM 478 CA ILE A 34 0.454 -7.874 -1.330 1.00 0.00 C ATOM 479 C ILE A 34 1.803 -8.293 -1.924 1.00 0.00 C ATOM 480 O ILE A 34 2.277 -9.395 -1.665 1.00 0.00 O ATOM 481 CB ILE A 34 0.603 -7.000 -0.051 1.00 0.00 C ATOM 482 CG1 ILE A 34 1.379 -5.693 -0.336 1.00 0.00 C ATOM 483 CG2 ILE A 34 1.255 -7.767 1.117 1.00 0.00 C ATOM 484 CD1 ILE A 34 1.211 -4.635 0.756 1.00 0.00 C ATOM 0 H ILE A 34 0.204 -9.919 -1.092 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.050 -7.252 -2.070 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.411 -6.738 0.253 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.438 -5.925 -0.446 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.042 -5.280 -1.287 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.335 -7.111 1.984 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.642 -8.632 1.372 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.250 -8.102 0.822 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.782 -3.745 0.491 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.157 -4.375 0.851 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.574 -5.030 1.705 1.00 0.00 H new ATOM 496 N VAL A 35 2.384 -7.408 -2.729 1.00 0.00 N ATOM 497 CA VAL A 35 3.756 -7.422 -3.253 1.00 0.00 C ATOM 498 C VAL A 35 4.234 -5.979 -3.211 1.00 0.00 C ATOM 499 O VAL A 35 3.437 -5.058 -3.377 1.00 0.00 O ATOM 500 CB VAL A 35 3.817 -7.948 -4.709 1.00 0.00 C ATOM 501 CG1 VAL A 35 5.135 -7.648 -5.451 1.00 0.00 C ATOM 502 CG2 VAL A 35 3.641 -9.470 -4.698 1.00 0.00 C ATOM 0 H VAL A 35 1.869 -6.593 -3.062 1.00 0.00 H new ATOM 0 HA VAL A 35 4.380 -8.087 -2.656 1.00 0.00 H new ATOM 0 HB VAL A 35 3.020 -7.426 -5.239 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.084 -8.054 -6.461 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.287 -6.570 -5.500 1.00 0.00 H new ATOM 0 HG13 VAL A 35 5.966 -8.108 -4.916 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.683 -9.848 -5.719 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.438 -9.924 -4.110 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.676 -9.722 -4.257 1.00 0.00 H new ATOM 512 N VAL A 36 5.529 -5.767 -3.014 1.00 0.00 N ATOM 513 CA VAL A 36 6.098 -4.411 -2.982 1.00 0.00 C ATOM 514 C VAL A 36 7.461 -4.334 -3.678 1.00 0.00 C ATOM 515 O VAL A 36 8.196 -5.316 -3.753 1.00 0.00 O ATOM 516 CB VAL A 36 6.107 -3.897 -1.528 1.00 0.00 C ATOM 517 CG1 VAL A 36 7.030 -4.747 -0.663 1.00 0.00 C ATOM 518 CG2 VAL A 36 6.465 -2.413 -1.372 1.00 0.00 C ATOM 0 H VAL A 36 6.211 -6.512 -2.873 1.00 0.00 H new ATOM 0 HA VAL A 36 5.465 -3.741 -3.563 1.00 0.00 H new ATOM 0 HB VAL A 36 5.075 -3.991 -1.189 1.00 0.00 H new ATOM 0 HG11 VAL A 36 7.022 -4.368 0.359 1.00 0.00 H new ATOM 0 HG12 VAL A 36 6.685 -5.781 -0.669 1.00 0.00 H new ATOM 0 HG13 VAL A 36 8.044 -4.701 -1.059 1.00 0.00 H new ATOM 0 HG21 VAL A 36 6.446 -2.143 -0.316 1.00 0.00 H new ATOM 0 HG22 VAL A 36 7.463 -2.235 -1.774 1.00 0.00 H new ATOM 0 HG23 VAL A 36 5.741 -1.805 -1.915 1.00 0.00 H new ATOM 528 N SER A 37 7.753 -3.158 -4.227 1.00 0.00 N ATOM 529 CA SER A 37 9.019 -2.820 -4.870 1.00 0.00 C ATOM 530 C SER A 37 10.009 -2.205 -3.880 1.00 0.00 C ATOM 531 O SER A 37 9.673 -1.285 -3.134 1.00 0.00 O ATOM 532 CB SER A 37 8.787 -1.777 -5.962 1.00 0.00 C ATOM 533 OG SER A 37 8.401 -2.347 -7.196 1.00 0.00 O ATOM 0 H SER A 37 7.088 -2.384 -4.236 1.00 0.00 H new ATOM 0 HA SER A 37 9.423 -3.747 -5.276 1.00 0.00 H new ATOM 0 HB2 SER A 37 8.016 -1.080 -5.633 1.00 0.00 H new ATOM 0 HB3 SER A 37 9.700 -1.199 -6.105 1.00 0.00 H new ATOM 0 HG SER A 37 9.024 -2.063 -7.897 1.00 0.00 H new ATOM 539 N LEU A 38 11.260 -2.660 -3.950 1.00 0.00 N ATOM 540 CA LEU A 38 12.409 -2.111 -3.223 1.00 0.00 C ATOM 541 C LEU A 38 13.326 -1.273 -4.118 1.00 0.00 C ATOM 542 O LEU A 38 13.996 -0.353 -3.650 1.00 0.00 O ATOM 543 CB LEU A 38 13.165 -3.285 -2.603 1.00 0.00 C ATOM 544 CG LEU A 38 13.973 -2.783 -1.402 1.00 0.00 C ATOM 545 CD1 LEU A 38 13.133 -2.463 -0.163 1.00 0.00 C ATOM 546 CD2 LEU A 38 15.020 -3.795 -0.999 1.00 0.00 C ATOM 0 H LEU A 38 11.513 -3.454 -4.539 1.00 0.00 H new ATOM 0 HA LEU A 38 12.054 -1.429 -2.450 1.00 0.00 H new ATOM 0 HB2 LEU A 38 12.465 -4.059 -2.288 1.00 0.00 H new ATOM 0 HB3 LEU A 38 13.829 -3.736 -3.340 1.00 0.00 H new ATOM 0 HG LEU A 38 14.425 -1.853 -1.747 1.00 0.00 H new ATOM 0 HD11 LEU A 38 13.785 -2.115 0.638 1.00 0.00 H new ATOM 0 HD12 LEU A 38 12.409 -1.685 -0.405 1.00 0.00 H new ATOM 0 HD13 LEU A 38 12.607 -3.361 0.162 1.00 0.00 H new ATOM 0 HD21 LEU A 38 15.581 -3.417 -0.144 1.00 0.00 H new ATOM 0 HD22 LEU A 38 14.535 -4.733 -0.728 1.00 0.00 H new ATOM 0 HD23 LEU A 38 15.701 -3.966 -1.833 1.00 0.00 H new ATOM 558 N GLU A 39 13.385 -1.611 -5.398 1.00 0.00 N ATOM 559 CA GLU A 39 14.008 -0.862 -6.464 1.00 0.00 C ATOM 560 C GLU A 39 13.227 0.418 -6.831 1.00 0.00 C ATOM 561 O GLU A 39 13.805 1.445 -7.186 1.00 0.00 O ATOM 562 CB GLU A 39 14.197 -1.837 -7.614 1.00 0.00 C ATOM 563 CG GLU A 39 13.038 -2.259 -8.513 1.00 0.00 C ATOM 564 CD GLU A 39 11.706 -2.579 -7.836 1.00 0.00 C ATOM 565 OE1 GLU A 39 11.681 -3.193 -6.744 1.00 0.00 O ATOM 566 OE2 GLU A 39 10.689 -2.076 -8.356 1.00 0.00 O ATOM 0 H GLU A 39 12.967 -2.478 -5.736 1.00 0.00 H new ATOM 0 HA GLU A 39 14.977 -0.467 -6.158 1.00 0.00 H new ATOM 0 HB2 GLU A 39 14.961 -1.412 -8.265 1.00 0.00 H new ATOM 0 HB3 GLU A 39 14.613 -2.750 -7.188 1.00 0.00 H new ATOM 0 HG2 GLU A 39 12.866 -1.463 -9.237 1.00 0.00 H new ATOM 0 HG3 GLU A 39 13.350 -3.139 -9.075 1.00 0.00 H new ATOM 573 N ASN A 40 11.904 0.344 -6.689 1.00 0.00 N ATOM 574 CA ASN A 40 10.945 1.455 -6.737 1.00 0.00 C ATOM 575 C ASN A 40 10.409 1.857 -5.344 1.00 0.00 C ATOM 576 O ASN A 40 10.893 1.404 -4.310 1.00 0.00 O ATOM 577 CB ASN A 40 9.836 1.188 -7.771 1.00 0.00 C ATOM 578 CG ASN A 40 10.449 1.455 -9.120 1.00 0.00 C ATOM 579 OD1 ASN A 40 10.567 2.603 -9.535 1.00 0.00 O ATOM 580 ND2 ASN A 40 10.995 0.436 -9.733 1.00 0.00 N ATOM 0 H ASN A 40 11.440 -0.550 -6.527 1.00 0.00 H new ATOM 0 HA ASN A 40 11.489 2.335 -7.081 1.00 0.00 H new ATOM 0 HB2 ASN A 40 9.478 0.161 -7.702 1.00 0.00 H new ATOM 0 HB3 ASN A 40 8.977 1.837 -7.598 1.00 0.00 H new ATOM 0 HD21 ASN A 40 11.539 0.584 -10.583 1.00 0.00 H new ATOM 0 HD22 ASN A 40 10.877 -0.506 -9.360 1.00 0.00 H new ATOM 587 N ARG A 41 9.443 2.790 -5.336 1.00 0.00 N ATOM 588 CA ARG A 41 8.820 3.440 -4.172 1.00 0.00 C ATOM 589 C ARG A 41 7.317 3.082 -4.085 1.00 0.00 C ATOM 590 O ARG A 41 6.471 3.914 -3.764 1.00 0.00 O ATOM 591 CB ARG A 41 9.017 4.977 -4.245 1.00 0.00 C ATOM 592 CG ARG A 41 10.368 5.491 -4.787 1.00 0.00 C ATOM 593 CD ARG A 41 10.370 5.639 -6.320 1.00 0.00 C ATOM 594 NE ARG A 41 11.618 6.253 -6.809 1.00 0.00 N ATOM 595 CZ ARG A 41 12.454 5.768 -7.727 1.00 0.00 C ATOM 596 NH1 ARG A 41 12.213 4.684 -8.441 1.00 0.00 N ATOM 597 NH2 ARG A 41 13.590 6.394 -7.950 1.00 0.00 N ATOM 0 H ARG A 41 9.047 3.136 -6.210 1.00 0.00 H new ATOM 0 HA ARG A 41 9.306 3.073 -3.268 1.00 0.00 H new ATOM 0 HB2 ARG A 41 8.224 5.390 -4.869 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.879 5.383 -3.243 1.00 0.00 H new ATOM 0 HG2 ARG A 41 10.595 6.455 -4.332 1.00 0.00 H new ATOM 0 HG3 ARG A 41 11.160 4.804 -4.490 1.00 0.00 H new ATOM 0 HD2 ARG A 41 10.242 4.659 -6.780 1.00 0.00 H new ATOM 0 HD3 ARG A 41 9.520 6.248 -6.627 1.00 0.00 H new ATOM 0 HE ARG A 41 11.871 7.152 -6.398 1.00 0.00 H new ATOM 0 HH11 ARG A 41 11.345 4.166 -8.305 1.00 0.00 H new ATOM 0 HH12 ARG A 41 12.895 4.364 -9.129 1.00 0.00 H new ATOM 0 HH21 ARG A 41 13.820 7.237 -7.424 1.00 0.00 H new ATOM 0 HH22 ARG A 41 14.241 6.036 -8.649 1.00 0.00 H new ATOM 611 N SER A 42 6.940 1.875 -4.504 1.00 0.00 N ATOM 612 CA SER A 42 5.549 1.470 -4.746 1.00 0.00 C ATOM 613 C SER A 42 5.208 0.048 -4.293 1.00 0.00 C ATOM 614 O SER A 42 6.064 -0.828 -4.246 1.00 0.00 O ATOM 615 CB SER A 42 5.228 1.578 -6.247 1.00 0.00 C ATOM 616 OG SER A 42 6.291 1.136 -7.079 1.00 0.00 O ATOM 0 H SER A 42 7.609 1.128 -4.691 1.00 0.00 H new ATOM 0 HA SER A 42 4.947 2.151 -4.145 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.336 0.990 -6.465 1.00 0.00 H new ATOM 0 HB3 SER A 42 4.993 2.615 -6.488 1.00 0.00 H new ATOM 0 HG SER A 42 6.030 1.226 -8.019 1.00 0.00 H new ATOM 622 N ALA A 43 3.916 -0.183 -4.045 1.00 0.00 N ATOM 623 CA ALA A 43 3.308 -1.443 -3.620 1.00 0.00 C ATOM 624 C ALA A 43 2.143 -1.821 -4.543 1.00 0.00 C ATOM 625 O ALA A 43 1.400 -0.959 -5.012 1.00 0.00 O ATOM 626 CB ALA A 43 2.808 -1.256 -2.180 1.00 0.00 C ATOM 0 H ALA A 43 3.221 0.557 -4.143 1.00 0.00 H new ATOM 0 HA ALA A 43 4.040 -2.249 -3.669 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.348 -2.181 -1.832 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.648 -1.003 -1.533 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.073 -0.452 -2.152 1.00 0.00 H new ATOM 632 N ILE A 44 1.953 -3.123 -4.753 1.00 0.00 N ATOM 633 CA ILE A 44 0.802 -3.729 -5.427 1.00 0.00 C ATOM 634 C ILE A 44 0.087 -4.580 -4.373 1.00 0.00 C ATOM 635 O ILE A 44 0.662 -5.516 -3.821 1.00 0.00 O ATOM 636 CB ILE A 44 1.262 -4.546 -6.655 1.00 0.00 C ATOM 637 CG1 ILE A 44 1.951 -3.611 -7.682 1.00 0.00 C ATOM 638 CG2 ILE A 44 0.052 -5.258 -7.286 1.00 0.00 C ATOM 639 CD1 ILE A 44 2.578 -4.342 -8.874 1.00 0.00 C ATOM 0 H ILE A 44 2.630 -3.820 -4.443 1.00 0.00 H new ATOM 0 HA ILE A 44 0.114 -2.981 -5.821 1.00 0.00 H new ATOM 0 HB ILE A 44 1.983 -5.301 -6.342 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.218 -2.895 -8.054 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.726 -3.038 -7.173 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.379 -5.833 -8.152 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.398 -5.928 -6.554 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.683 -4.517 -7.600 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.039 -3.616 -9.544 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.337 -5.038 -8.516 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.805 -4.892 -9.411 1.00 0.00 H new ATOM 651 N VAL A 45 -1.153 -4.225 -4.057 1.00 0.00 N ATOM 652 CA VAL A 45 -1.921 -4.748 -2.916 1.00 0.00 C ATOM 653 C VAL A 45 -3.153 -5.482 -3.453 1.00 0.00 C ATOM 654 O VAL A 45 -3.864 -4.923 -4.285 1.00 0.00 O ATOM 655 CB VAL A 45 -2.349 -3.587 -2.001 1.00 0.00 C ATOM 656 CG1 VAL A 45 -2.998 -4.133 -0.720 1.00 0.00 C ATOM 657 CG2 VAL A 45 -1.185 -2.652 -1.618 1.00 0.00 C ATOM 0 H VAL A 45 -1.677 -3.541 -4.603 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.308 -5.437 -2.335 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.065 -2.997 -2.573 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.297 -3.302 -0.081 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.876 -4.724 -0.980 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.283 -4.761 -0.189 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.555 -1.856 -0.972 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.420 -3.221 -1.090 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.756 -2.217 -2.521 1.00 0.00 H new ATOM 667 N VAL A 46 -3.403 -6.709 -2.987 1.00 0.00 N ATOM 668 CA VAL A 46 -4.377 -7.665 -3.540 1.00 0.00 C ATOM 669 C VAL A 46 -5.466 -7.926 -2.488 1.00 0.00 C ATOM 670 O VAL A 46 -5.212 -8.602 -1.499 1.00 0.00 O ATOM 671 CB VAL A 46 -3.637 -8.980 -3.903 1.00 0.00 C ATOM 672 CG1 VAL A 46 -4.550 -10.050 -4.515 1.00 0.00 C ATOM 673 CG2 VAL A 46 -2.397 -8.764 -4.797 1.00 0.00 C ATOM 0 H VAL A 46 -2.911 -7.084 -2.176 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.845 -7.264 -4.439 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.289 -9.355 -2.940 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -3.965 -10.941 -4.743 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.337 -10.305 -3.806 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.998 -9.665 -5.431 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.930 -9.726 -5.010 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.700 -8.292 -5.732 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.684 -8.121 -4.281 1.00 0.00 H new ATOM 683 N TYR A 47 -6.667 -7.367 -2.658 1.00 0.00 N ATOM 684 CA TYR A 47 -7.716 -7.319 -1.623 1.00 0.00 C ATOM 685 C TYR A 47 -9.066 -7.913 -2.057 1.00 0.00 C ATOM 686 O TYR A 47 -9.448 -7.842 -3.225 1.00 0.00 O ATOM 687 CB TYR A 47 -7.892 -5.865 -1.154 1.00 0.00 C ATOM 688 CG TYR A 47 -8.447 -4.931 -2.215 1.00 0.00 C ATOM 689 CD1 TYR A 47 -7.580 -4.369 -3.170 1.00 0.00 C ATOM 690 CD2 TYR A 47 -9.822 -4.629 -2.260 1.00 0.00 C ATOM 691 CE1 TYR A 47 -8.070 -3.491 -4.152 1.00 0.00 C ATOM 692 CE2 TYR A 47 -10.324 -3.784 -3.270 1.00 0.00 C ATOM 693 CZ TYR A 47 -9.450 -3.211 -4.220 1.00 0.00 C ATOM 694 OH TYR A 47 -9.937 -2.417 -5.213 1.00 0.00 O ATOM 0 H TYR A 47 -6.948 -6.925 -3.534 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.377 -7.954 -0.804 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.557 -5.852 -0.291 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -6.927 -5.484 -0.819 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.528 -4.614 -3.148 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -10.491 -5.045 -1.521 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -7.390 -3.031 -4.854 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -11.382 -3.574 -3.318 1.00 0.00 H new ATOM 0 HH TYR A 47 -10.908 -2.327 -5.114 1.00 0.00 H new ATOM 704 N ASN A 48 -9.822 -8.462 -1.106 1.00 0.00 N ATOM 705 CA ASN A 48 -11.061 -9.178 -1.381 1.00 0.00 C ATOM 706 C ASN A 48 -12.283 -8.281 -1.133 1.00 0.00 C ATOM 707 O ASN A 48 -12.464 -7.757 -0.035 1.00 0.00 O ATOM 708 CB ASN A 48 -11.101 -10.444 -0.522 1.00 0.00 C ATOM 709 CG ASN A 48 -12.183 -11.391 -1.015 1.00 0.00 C ATOM 710 OD1 ASN A 48 -13.371 -11.159 -0.841 1.00 0.00 O ATOM 711 ND2 ASN A 48 -11.802 -12.446 -1.708 1.00 0.00 N ATOM 0 H ASN A 48 -9.586 -8.420 -0.114 1.00 0.00 H new ATOM 0 HA ASN A 48 -11.094 -9.464 -2.432 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -10.132 -10.942 -0.554 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -11.289 -10.178 0.518 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -12.500 -13.076 -2.104 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -10.809 -12.632 -1.849 1.00 0.00 H new ATOM 718 N ALA A 49 -13.116 -8.114 -2.167 1.00 0.00 N ATOM 719 CA ALA A 49 -14.302 -7.255 -2.183 1.00 0.00 C ATOM 720 C ALA A 49 -15.030 -7.368 -3.532 1.00 0.00 C ATOM 721 O ALA A 49 -14.376 -7.396 -4.570 1.00 0.00 O ATOM 722 CB ALA A 49 -13.881 -5.794 -1.951 1.00 0.00 C ATOM 0 H ALA A 49 -12.974 -8.596 -3.054 1.00 0.00 H new ATOM 0 HA ALA A 49 -14.978 -7.576 -1.390 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -14.764 -5.155 -1.963 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -13.384 -5.708 -0.985 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -13.197 -5.483 -2.740 1.00 0.00 H new ATOM 728 N SER A 50 -16.367 -7.353 -3.539 1.00 0.00 N ATOM 729 CA SER A 50 -17.147 -7.235 -4.785 1.00 0.00 C ATOM 730 C SER A 50 -16.963 -5.862 -5.449 1.00 0.00 C ATOM 731 O SER A 50 -16.963 -5.754 -6.669 1.00 0.00 O ATOM 732 CB SER A 50 -18.640 -7.456 -4.502 1.00 0.00 C ATOM 733 OG SER A 50 -18.844 -8.549 -3.619 1.00 0.00 O ATOM 0 H SER A 50 -16.937 -7.421 -2.696 1.00 0.00 H new ATOM 0 HA SER A 50 -16.777 -8.000 -5.467 1.00 0.00 H new ATOM 0 HB2 SER A 50 -19.067 -6.552 -4.069 1.00 0.00 H new ATOM 0 HB3 SER A 50 -19.166 -7.640 -5.439 1.00 0.00 H new ATOM 0 HG SER A 50 -19.804 -8.664 -3.457 1.00 0.00 H new ATOM 739 N SER A 51 -16.785 -4.820 -4.632 1.00 0.00 N ATOM 740 CA SER A 51 -16.344 -3.471 -4.981 1.00 0.00 C ATOM 741 C SER A 51 -16.243 -2.633 -3.695 1.00 0.00 C ATOM 742 O SER A 51 -16.928 -2.918 -2.718 1.00 0.00 O ATOM 743 CB SER A 51 -17.205 -2.767 -6.039 1.00 0.00 C ATOM 744 OG SER A 51 -16.524 -1.577 -6.422 1.00 0.00 O ATOM 0 H SER A 51 -16.960 -4.907 -3.631 1.00 0.00 H new ATOM 0 HA SER A 51 -15.367 -3.570 -5.454 1.00 0.00 H new ATOM 0 HB2 SER A 51 -17.359 -3.415 -6.902 1.00 0.00 H new ATOM 0 HB3 SER A 51 -18.191 -2.532 -5.637 1.00 0.00 H new ATOM 0 HG SER A 51 -17.049 -1.104 -7.101 1.00 0.00 H new ATOM 750 N VAL A 52 -15.381 -1.617 -3.725 1.00 0.00 N ATOM 751 CA VAL A 52 -14.931 -0.679 -2.676 1.00 0.00 C ATOM 752 C VAL A 52 -13.918 0.262 -3.348 1.00 0.00 C ATOM 753 O VAL A 52 -13.496 0.001 -4.480 1.00 0.00 O ATOM 754 CB VAL A 52 -14.279 -1.311 -1.406 1.00 0.00 C ATOM 755 CG1 VAL A 52 -15.231 -2.027 -0.437 1.00 0.00 C ATOM 756 CG2 VAL A 52 -13.092 -2.220 -1.750 1.00 0.00 C ATOM 0 H VAL A 52 -14.914 -1.396 -4.604 1.00 0.00 H new ATOM 0 HA VAL A 52 -15.823 -0.185 -2.290 1.00 0.00 H new ATOM 0 HB VAL A 52 -13.926 -0.435 -0.862 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -14.663 -2.424 0.404 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -15.976 -1.321 -0.071 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -15.730 -2.845 -0.956 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -12.674 -2.635 -0.833 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -13.430 -3.032 -2.394 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -12.328 -1.640 -2.268 1.00 0.00 H new ATOM 766 N THR A 53 -13.506 1.343 -2.677 1.00 0.00 N ATOM 767 CA THR A 53 -12.503 2.265 -3.220 1.00 0.00 C ATOM 768 C THR A 53 -11.071 1.814 -2.874 1.00 0.00 C ATOM 769 O THR A 53 -10.812 1.496 -1.707 1.00 0.00 O ATOM 770 CB THR A 53 -12.796 3.710 -2.815 1.00 0.00 C ATOM 771 OG1 THR A 53 -11.786 4.514 -3.370 1.00 0.00 O ATOM 772 CG2 THR A 53 -12.850 3.942 -1.307 1.00 0.00 C ATOM 0 H THR A 53 -13.853 1.601 -1.753 1.00 0.00 H new ATOM 0 HA THR A 53 -12.571 2.235 -4.307 1.00 0.00 H new ATOM 0 HB THR A 53 -13.789 3.961 -3.187 1.00 0.00 H new ATOM 0 HG1 THR A 53 -11.945 5.451 -3.130 1.00 0.00 H new ATOM 0 HG21 THR A 53 -13.062 4.992 -1.108 1.00 0.00 H new ATOM 0 HG22 THR A 53 -13.635 3.324 -0.872 1.00 0.00 H new ATOM 0 HG23 THR A 53 -11.891 3.675 -0.863 1.00 0.00 H new ATOM 780 N PRO A 54 -10.118 1.847 -3.835 1.00 0.00 N ATOM 781 CA PRO A 54 -8.688 1.653 -3.570 1.00 0.00 C ATOM 782 C PRO A 54 -8.126 2.732 -2.630 1.00 0.00 C ATOM 783 O PRO A 54 -7.090 2.502 -2.012 1.00 0.00 O ATOM 784 CB PRO A 54 -8.006 1.685 -4.943 1.00 0.00 C ATOM 785 CG PRO A 54 -8.947 2.532 -5.793 1.00 0.00 C ATOM 786 CD PRO A 54 -10.319 2.159 -5.246 1.00 0.00 C ATOM 0 HA PRO A 54 -8.506 0.709 -3.057 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -7.011 2.126 -4.886 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -7.887 0.683 -5.355 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -8.743 3.597 -5.684 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -8.856 2.297 -6.854 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.024 2.981 -5.367 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -10.732 1.303 -5.780 1.00 0.00 H new ATOM 794 N GLU A 55 -8.822 3.866 -2.454 1.00 0.00 N ATOM 795 CA GLU A 55 -8.474 4.914 -1.483 1.00 0.00 C ATOM 796 C GLU A 55 -8.295 4.362 -0.054 1.00 0.00 C ATOM 797 O GLU A 55 -7.547 4.920 0.739 1.00 0.00 O ATOM 798 CB GLU A 55 -9.585 5.983 -1.522 1.00 0.00 C ATOM 799 CG GLU A 55 -9.363 7.237 -0.664 1.00 0.00 C ATOM 800 CD GLU A 55 -8.160 8.077 -1.082 1.00 0.00 C ATOM 801 OE1 GLU A 55 -7.619 7.881 -2.194 1.00 0.00 O ATOM 802 OE2 GLU A 55 -7.751 8.957 -0.296 1.00 0.00 O ATOM 0 H GLU A 55 -9.659 4.084 -2.994 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.512 5.346 -1.759 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.719 6.298 -2.557 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -10.518 5.516 -1.208 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -10.258 7.857 -0.709 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -9.237 6.934 0.376 1.00 0.00 H new ATOM 809 N SER A 56 -8.937 3.240 0.272 1.00 0.00 N ATOM 810 CA SER A 56 -8.821 2.557 1.567 1.00 0.00 C ATOM 811 C SER A 56 -7.427 1.965 1.820 1.00 0.00 C ATOM 812 O SER A 56 -6.868 2.112 2.908 1.00 0.00 O ATOM 813 CB SER A 56 -9.872 1.438 1.633 1.00 0.00 C ATOM 814 OG SER A 56 -9.730 0.500 0.569 1.00 0.00 O ATOM 0 H SER A 56 -9.570 2.766 -0.372 1.00 0.00 H new ATOM 0 HA SER A 56 -8.988 3.304 2.343 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.786 0.918 2.587 1.00 0.00 H new ATOM 0 HB3 SER A 56 -10.869 1.876 1.597 1.00 0.00 H new ATOM 0 HG SER A 56 -10.126 0.870 -0.248 1.00 0.00 H new ATOM 820 N LEU A 57 -6.842 1.306 0.816 1.00 0.00 N ATOM 821 CA LEU A 57 -5.476 0.796 0.892 1.00 0.00 C ATOM 822 C LEU A 57 -4.466 1.945 0.855 1.00 0.00 C ATOM 823 O LEU A 57 -3.538 1.950 1.662 1.00 0.00 O ATOM 824 CB LEU A 57 -5.221 -0.176 -0.260 1.00 0.00 C ATOM 825 CG LEU A 57 -6.159 -1.394 -0.378 1.00 0.00 C ATOM 826 CD1 LEU A 57 -5.695 -2.204 -1.591 1.00 0.00 C ATOM 827 CD2 LEU A 57 -6.189 -2.288 0.869 1.00 0.00 C ATOM 0 H LEU A 57 -7.305 1.112 -0.072 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.352 0.267 1.837 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.277 0.385 -1.193 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.199 -0.545 -0.171 1.00 0.00 H new ATOM 0 HG LEU A 57 -7.179 -1.026 -0.488 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.335 -3.078 -1.711 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.755 -1.585 -2.486 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.665 -2.526 -1.441 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.872 -3.121 0.703 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.188 -2.673 1.065 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.528 -1.706 1.726 1.00 0.00 H new ATOM 839 N ARG A 58 -4.691 2.952 -0.003 1.00 0.00 N ATOM 840 CA ARG A 58 -3.932 4.208 -0.025 1.00 0.00 C ATOM 841 C ARG A 58 -3.830 4.815 1.383 1.00 0.00 C ATOM 842 O ARG A 58 -2.733 5.098 1.859 1.00 0.00 O ATOM 843 CB ARG A 58 -4.584 5.165 -1.043 1.00 0.00 C ATOM 844 CG ARG A 58 -3.670 6.324 -1.466 1.00 0.00 C ATOM 845 CD ARG A 58 -3.948 7.646 -0.746 1.00 0.00 C ATOM 846 NE ARG A 58 -5.008 8.405 -1.423 1.00 0.00 N ATOM 847 CZ ARG A 58 -5.061 9.710 -1.650 1.00 0.00 C ATOM 848 NH1 ARG A 58 -4.218 10.564 -1.110 1.00 0.00 N ATOM 849 NH2 ARG A 58 -6.019 10.158 -2.426 1.00 0.00 N ATOM 0 H ARG A 58 -5.421 2.913 -0.715 1.00 0.00 H new ATOM 0 HA ARG A 58 -2.906 4.020 -0.343 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.873 4.599 -1.928 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.499 5.573 -0.613 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.634 6.037 -1.286 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -3.775 6.480 -2.540 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -4.241 7.447 0.285 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -3.036 8.242 -0.709 1.00 0.00 H new ATOM 0 HE ARG A 58 -5.802 7.860 -1.760 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -3.483 10.230 -0.486 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -4.299 11.560 -1.315 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -6.692 9.508 -2.832 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -6.091 11.156 -2.623 1.00 0.00 H new ATOM 863 N LYS A 59 -4.959 4.910 2.092 1.00 0.00 N ATOM 864 CA LYS A 59 -5.041 5.302 3.502 1.00 0.00 C ATOM 865 C LYS A 59 -4.286 4.377 4.466 1.00 0.00 C ATOM 866 O LYS A 59 -3.648 4.880 5.385 1.00 0.00 O ATOM 867 CB LYS A 59 -6.525 5.419 3.896 1.00 0.00 C ATOM 868 CG LYS A 59 -6.992 6.879 3.930 1.00 0.00 C ATOM 869 CD LYS A 59 -6.761 7.638 2.620 1.00 0.00 C ATOM 870 CE LYS A 59 -7.014 9.133 2.820 1.00 0.00 C ATOM 871 NZ LYS A 59 -6.294 9.908 1.788 1.00 0.00 N ATOM 0 H LYS A 59 -5.873 4.709 1.686 1.00 0.00 H new ATOM 0 HA LYS A 59 -4.537 6.264 3.596 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.135 4.859 3.187 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.678 4.966 4.875 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.055 6.904 4.170 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.471 7.398 4.735 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.740 7.478 2.275 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.423 7.251 1.846 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -8.083 9.341 2.763 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -6.682 9.437 3.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -6.601 10.901 1.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.271 9.856 1.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -6.503 9.513 0.849 1.00 0.00 H new ATOM 885 N ALA A 60 -4.291 3.055 4.266 1.00 0.00 N ATOM 886 CA ALA A 60 -3.531 2.144 5.126 1.00 0.00 C ATOM 887 C ALA A 60 -2.019 2.372 4.992 1.00 0.00 C ATOM 888 O ALA A 60 -1.299 2.290 5.982 1.00 0.00 O ATOM 889 CB ALA A 60 -3.929 0.706 4.802 1.00 0.00 C ATOM 0 H ALA A 60 -4.811 2.594 3.519 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.773 2.346 6.169 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.368 0.021 5.438 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.996 0.575 4.981 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.707 0.494 3.756 1.00 0.00 H new ATOM 895 N ILE A 61 -1.549 2.744 3.793 1.00 0.00 N ATOM 896 CA ILE A 61 -0.157 3.164 3.589 1.00 0.00 C ATOM 897 C ILE A 61 0.106 4.518 4.246 1.00 0.00 C ATOM 898 O ILE A 61 1.020 4.612 5.066 1.00 0.00 O ATOM 899 CB ILE A 61 0.250 3.165 2.090 1.00 0.00 C ATOM 900 CG1 ILE A 61 -0.119 1.886 1.315 1.00 0.00 C ATOM 901 CG2 ILE A 61 1.765 3.408 1.999 1.00 0.00 C ATOM 902 CD1 ILE A 61 0.026 1.993 -0.207 1.00 0.00 C ATOM 0 H ILE A 61 -2.117 2.762 2.946 1.00 0.00 H new ATOM 0 HA ILE A 61 0.476 2.423 4.077 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.323 3.961 1.614 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.510 1.069 1.669 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.150 1.620 1.550 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.071 3.412 0.953 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.007 4.370 2.452 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.293 2.615 2.528 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.255 1.046 -0.667 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.624 2.785 -0.580 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.061 2.225 -0.458 1.00 0.00 H new ATOM 914 N GLU A 62 -0.717 5.541 3.965 1.00 0.00 N ATOM 915 CA GLU A 62 -0.593 6.859 4.592 1.00 0.00 C ATOM 916 C GLU A 62 -0.524 6.720 6.123 1.00 0.00 C ATOM 917 O GLU A 62 0.247 7.427 6.757 1.00 0.00 O ATOM 918 CB GLU A 62 -1.770 7.787 4.234 1.00 0.00 C ATOM 919 CG GLU A 62 -1.896 8.291 2.782 1.00 0.00 C ATOM 920 CD GLU A 62 -3.192 9.082 2.509 1.00 0.00 C ATOM 921 OE1 GLU A 62 -4.099 9.113 3.360 1.00 0.00 O ATOM 922 OE2 GLU A 62 -3.370 9.618 1.386 1.00 0.00 O ATOM 0 H GLU A 62 -1.485 5.474 3.297 1.00 0.00 H new ATOM 0 HA GLU A 62 0.326 7.303 4.209 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.693 7.263 4.484 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.713 8.660 4.884 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.039 8.924 2.551 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.853 7.437 2.106 1.00 0.00 H new ATOM 929 N ALA A 63 -1.228 5.746 6.715 1.00 0.00 N ATOM 930 CA ALA A 63 -1.295 5.523 8.160 1.00 0.00 C ATOM 931 C ALA A 63 -0.080 4.802 8.772 1.00 0.00 C ATOM 932 O ALA A 63 -0.081 4.544 9.974 1.00 0.00 O ATOM 933 CB ALA A 63 -2.611 4.795 8.471 1.00 0.00 C ATOM 0 H ALA A 63 -1.781 5.074 6.184 1.00 0.00 H new ATOM 0 HA ALA A 63 -1.268 6.501 8.640 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.684 4.617 9.544 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -3.452 5.409 8.147 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.633 3.842 7.943 1.00 0.00 H new ATOM 939 N VAL A 64 0.956 4.519 7.978 1.00 0.00 N ATOM 940 CA VAL A 64 2.204 3.891 8.446 1.00 0.00 C ATOM 941 C VAL A 64 3.285 4.932 8.706 1.00 0.00 C ATOM 942 O VAL A 64 4.134 4.755 9.573 1.00 0.00 O ATOM 943 CB VAL A 64 2.700 2.786 7.488 1.00 0.00 C ATOM 944 CG1 VAL A 64 3.639 3.198 6.372 1.00 0.00 C ATOM 945 CG2 VAL A 64 3.444 1.720 8.298 1.00 0.00 C ATOM 0 H VAL A 64 0.956 4.721 6.978 1.00 0.00 H new ATOM 0 HA VAL A 64 1.977 3.404 9.394 1.00 0.00 H new ATOM 0 HB VAL A 64 1.784 2.445 7.006 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.905 2.323 5.779 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.146 3.932 5.734 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.541 3.636 6.799 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.798 0.936 7.629 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.295 2.176 8.804 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.770 1.289 9.038 1.00 0.00 H new ATOM 955 N SER A 65 3.260 6.046 7.970 1.00 0.00 N ATOM 956 CA SER A 65 4.089 7.217 8.261 1.00 0.00 C ATOM 957 C SER A 65 3.388 8.529 7.832 1.00 0.00 C ATOM 958 O SER A 65 3.841 9.216 6.907 1.00 0.00 O ATOM 959 CB SER A 65 5.517 7.043 7.722 1.00 0.00 C ATOM 960 OG SER A 65 5.923 5.694 7.520 1.00 0.00 O ATOM 0 H SER A 65 2.661 6.161 7.152 1.00 0.00 H new ATOM 0 HA SER A 65 4.206 7.303 9.341 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.600 7.577 6.775 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.212 7.516 8.416 1.00 0.00 H new ATOM 0 HG SER A 65 6.066 5.535 6.564 1.00 0.00 H new ATOM 966 N PRO A 66 2.249 8.854 8.479 1.00 0.00 N ATOM 967 CA PRO A 66 1.369 9.956 8.101 1.00 0.00 C ATOM 968 C PRO A 66 2.050 11.320 8.169 1.00 0.00 C ATOM 969 O PRO A 66 2.933 11.555 8.988 1.00 0.00 O ATOM 970 CB PRO A 66 0.143 9.872 9.022 1.00 0.00 C ATOM 971 CG PRO A 66 0.606 8.993 10.185 1.00 0.00 C ATOM 972 CD PRO A 66 1.586 8.051 9.500 1.00 0.00 C ATOM 0 HA PRO A 66 1.079 9.858 7.055 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.164 10.859 9.367 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -0.712 9.434 8.508 1.00 0.00 H new ATOM 0 HG2 PRO A 66 1.084 9.576 10.972 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -0.223 8.455 10.645 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.307 7.649 10.212 1.00 0.00 H new ATOM 0 HD3 PRO A 66 1.068 7.201 9.056 1.00 0.00 H new ATOM 980 N GLY A 67 1.625 12.213 7.268 1.00 0.00 N ATOM 981 CA GLY A 67 2.217 13.539 7.060 1.00 0.00 C ATOM 982 C GLY A 67 3.488 13.532 6.202 1.00 0.00 C ATOM 983 O GLY A 67 3.798 14.549 5.586 1.00 0.00 O ATOM 0 H GLY A 67 0.838 12.028 6.646 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.477 14.185 6.588 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.450 13.977 8.031 1.00 0.00 H new ATOM 987 N LEU A 68 4.208 12.404 6.149 1.00 0.00 N ATOM 988 CA LEU A 68 5.459 12.235 5.403 1.00 0.00 C ATOM 989 C LEU A 68 5.237 11.448 4.101 1.00 0.00 C ATOM 990 O LEU A 68 5.834 11.755 3.074 1.00 0.00 O ATOM 991 CB LEU A 68 6.503 11.685 6.390 1.00 0.00 C ATOM 992 CG LEU A 68 7.117 10.300 6.151 1.00 0.00 C ATOM 993 CD1 LEU A 68 8.174 10.236 5.039 1.00 0.00 C ATOM 994 CD2 LEU A 68 7.805 9.947 7.461 1.00 0.00 C ATOM 0 H LEU A 68 3.925 11.556 6.641 1.00 0.00 H new ATOM 0 HA LEU A 68 5.857 13.176 5.024 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.323 12.402 6.431 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.042 11.671 7.378 1.00 0.00 H new ATOM 0 HG LEU A 68 6.322 9.624 5.836 1.00 0.00 H new ATOM 0 HD11 LEU A 68 8.546 9.215 4.949 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.727 10.544 4.094 1.00 0.00 H new ATOM 0 HD13 LEU A 68 9.000 10.903 5.284 1.00 0.00 H new ATOM 0 HD21 LEU A 68 8.272 8.966 7.374 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.568 10.693 7.684 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.069 9.929 8.265 1.00 0.00 H new ATOM 1006 N TYR A 69 4.339 10.460 4.111 1.00 0.00 N ATOM 1007 CA TYR A 69 4.021 9.624 2.947 1.00 0.00 C ATOM 1008 C TYR A 69 3.116 10.304 1.898 1.00 0.00 C ATOM 1009 O TYR A 69 1.890 10.342 2.056 1.00 0.00 O ATOM 1010 CB TYR A 69 3.356 8.323 3.442 1.00 0.00 C ATOM 1011 CG TYR A 69 4.280 7.181 3.822 1.00 0.00 C ATOM 1012 CD1 TYR A 69 5.630 7.388 4.165 1.00 0.00 C ATOM 1013 CD2 TYR A 69 3.790 5.866 3.753 1.00 0.00 C ATOM 1014 CE1 TYR A 69 6.449 6.301 4.511 1.00 0.00 C ATOM 1015 CE2 TYR A 69 4.642 4.772 3.942 1.00 0.00 C ATOM 1016 CZ TYR A 69 5.965 4.983 4.387 1.00 0.00 C ATOM 1017 OH TYR A 69 6.756 3.939 4.754 1.00 0.00 O ATOM 0 H TYR A 69 3.802 10.213 4.942 1.00 0.00 H new ATOM 0 HA TYR A 69 4.964 9.428 2.436 1.00 0.00 H new ATOM 0 HB2 TYR A 69 2.741 8.565 4.309 1.00 0.00 H new ATOM 0 HB3 TYR A 69 2.682 7.969 2.662 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.038 8.388 4.162 1.00 0.00 H new ATOM 0 HD2 TYR A 69 2.742 5.697 3.552 1.00 0.00 H new ATOM 0 HE1 TYR A 69 7.452 6.475 4.873 1.00 0.00 H new ATOM 0 HE2 TYR A 69 4.289 3.770 3.748 1.00 0.00 H new ATOM 0 HH TYR A 69 6.276 3.097 4.608 1.00 0.00 H new ATOM 1027 N ARG A 70 3.658 10.715 0.742 1.00 0.00 N ATOM 1028 CA ARG A 70 2.844 11.148 -0.409 1.00 0.00 C ATOM 1029 C ARG A 70 2.318 9.951 -1.213 1.00 0.00 C ATOM 1030 O ARG A 70 2.772 9.665 -2.323 1.00 0.00 O ATOM 1031 CB ARG A 70 3.630 12.103 -1.301 1.00 0.00 C ATOM 1032 CG ARG A 70 2.728 12.741 -2.372 1.00 0.00 C ATOM 1033 CD ARG A 70 2.974 14.240 -2.548 1.00 0.00 C ATOM 1034 NE ARG A 70 4.370 14.576 -2.903 1.00 0.00 N ATOM 1035 CZ ARG A 70 5.049 14.151 -3.964 1.00 0.00 C ATOM 1036 NH1 ARG A 70 4.512 13.424 -4.917 1.00 0.00 N ATOM 1037 NH2 ARG A 70 6.332 14.404 -4.085 1.00 0.00 N ATOM 0 H ARG A 70 4.664 10.757 0.577 1.00 0.00 H new ATOM 0 HA ARG A 70 1.978 11.682 -0.017 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.082 12.885 -0.691 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.446 11.564 -1.784 1.00 0.00 H new ATOM 0 HG2 ARG A 70 2.893 12.237 -3.325 1.00 0.00 H new ATOM 0 HG3 ARG A 70 1.684 12.579 -2.103 1.00 0.00 H new ATOM 0 HD2 ARG A 70 2.310 14.619 -3.324 1.00 0.00 H new ATOM 0 HD3 ARG A 70 2.710 14.754 -1.624 1.00 0.00 H new ATOM 0 HE ARG A 70 4.864 15.200 -2.266 1.00 0.00 H new ATOM 0 HH11 ARG A 70 3.528 13.159 -4.864 1.00 0.00 H new ATOM 0 HH12 ARG A 70 5.079 13.124 -5.710 1.00 0.00 H new ATOM 0 HH21 ARG A 70 6.818 14.932 -3.360 1.00 0.00 H new ATOM 0 HH22 ARG A 70 6.842 14.073 -4.904 1.00 0.00 H new ATOM 1051 N VAL A 71 1.368 9.237 -0.625 1.00 0.00 N ATOM 1052 CA VAL A 71 0.779 8.034 -1.244 1.00 0.00 C ATOM 1053 C VAL A 71 -0.187 8.419 -2.356 1.00 0.00 C ATOM 1054 O VAL A 71 -1.092 9.228 -2.163 1.00 0.00 O ATOM 1055 CB VAL A 71 0.065 7.076 -0.272 1.00 0.00 C ATOM 1056 CG1 VAL A 71 -0.046 5.678 -0.905 1.00 0.00 C ATOM 1057 CG2 VAL A 71 0.813 6.955 1.057 1.00 0.00 C ATOM 0 H VAL A 71 0.978 9.465 0.290 1.00 0.00 H new ATOM 0 HA VAL A 71 1.636 7.487 -1.637 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.925 7.487 -0.077 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.552 5.004 -0.213 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.617 5.742 -1.831 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.952 5.295 -1.119 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.277 6.271 1.715 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.817 6.573 0.876 1.00 0.00 H new ATOM 0 HG23 VAL A 71 0.878 7.936 1.529 1.00 0.00 H new ATOM 1067 N SER A 72 0.018 7.816 -3.518 1.00 0.00 N ATOM 1068 CA SER A 72 -0.673 8.126 -4.760 1.00 0.00 C ATOM 1069 C SER A 72 -1.081 6.818 -5.454 1.00 0.00 C ATOM 1070 O SER A 72 -0.362 5.828 -5.372 1.00 0.00 O ATOM 1071 CB SER A 72 0.283 8.910 -5.672 1.00 0.00 C ATOM 1072 OG SER A 72 1.060 9.879 -4.981 1.00 0.00 O ATOM 0 H SER A 72 0.700 7.065 -3.625 1.00 0.00 H new ATOM 0 HA SER A 72 -1.564 8.720 -4.555 1.00 0.00 H new ATOM 0 HB2 SER A 72 0.952 8.209 -6.172 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.296 9.408 -6.450 1.00 0.00 H new ATOM 0 HG SER A 72 1.647 10.341 -5.616 1.00 0.00 H new ATOM 1078 N ILE A 73 -2.211 6.780 -6.152 1.00 0.00 N ATOM 1079 CA ILE A 73 -2.603 5.643 -7.002 1.00 0.00 C ATOM 1080 C ILE A 73 -2.068 5.896 -8.408 1.00 0.00 C ATOM 1081 O ILE A 73 -2.354 6.956 -8.964 1.00 0.00 O ATOM 1082 CB ILE A 73 -4.145 5.486 -7.006 1.00 0.00 C ATOM 1083 CG1 ILE A 73 -4.659 5.195 -5.577 1.00 0.00 C ATOM 1084 CG2 ILE A 73 -4.578 4.362 -7.971 1.00 0.00 C ATOM 1085 CD1 ILE A 73 -6.184 5.230 -5.424 1.00 0.00 C ATOM 0 H ILE A 73 -2.892 7.540 -6.149 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.183 4.714 -6.617 1.00 0.00 H new ATOM 0 HB ILE A 73 -4.583 6.422 -7.352 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.299 4.213 -5.269 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.222 5.923 -4.893 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.664 4.269 -7.958 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.247 4.602 -8.981 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.130 3.420 -7.656 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.451 5.015 -4.389 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.554 6.218 -5.696 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.633 4.482 -6.078 1.00 0.00 H new ATOM 1097 N THR A 74 -1.323 4.946 -8.983 1.00 0.00 N ATOM 1098 CA THR A 74 -0.966 4.969 -10.406 1.00 0.00 C ATOM 1099 C THR A 74 -1.731 3.872 -11.144 1.00 0.00 C ATOM 1100 O THR A 74 -1.544 2.684 -10.891 1.00 0.00 O ATOM 1101 CB THR A 74 0.553 4.947 -10.595 1.00 0.00 C ATOM 1102 OG1 THR A 74 0.796 5.019 -11.979 1.00 0.00 O ATOM 1103 CG2 THR A 74 1.289 3.738 -10.013 1.00 0.00 C ATOM 0 H THR A 74 -0.951 4.142 -8.477 1.00 0.00 H new ATOM 0 HA THR A 74 -1.278 5.909 -10.862 1.00 0.00 H new ATOM 0 HB THR A 74 0.949 5.794 -10.034 1.00 0.00 H new ATOM 0 HG1 THR A 74 1.762 5.009 -12.142 1.00 0.00 H new ATOM 0 HG21 THR A 74 2.357 3.834 -10.208 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.120 3.692 -8.937 1.00 0.00 H new ATOM 0 HG23 THR A 74 0.915 2.826 -10.478 1.00 0.00 H new ATOM 1111 N SER A 75 -2.642 4.280 -12.027 1.00 0.00 N ATOM 1112 CA SER A 75 -3.428 3.408 -12.913 1.00 0.00 C ATOM 1113 C SER A 75 -4.049 4.223 -14.060 1.00 0.00 C ATOM 1114 O SER A 75 -4.281 5.425 -13.908 1.00 0.00 O ATOM 1115 CB SER A 75 -4.553 2.701 -12.144 1.00 0.00 C ATOM 1116 OG SER A 75 -5.167 1.724 -12.969 1.00 0.00 O ATOM 0 H SER A 75 -2.865 5.267 -12.153 1.00 0.00 H new ATOM 0 HA SER A 75 -2.747 2.659 -13.317 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.151 2.230 -11.247 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.294 3.430 -11.817 1.00 0.00 H new ATOM 0 HG SER A 75 -5.882 1.277 -12.470 1.00 0.00 H new ATOM 1122 N GLU A 76 -4.393 3.582 -15.181 1.00 0.00 N ATOM 1123 CA GLU A 76 -5.099 4.233 -16.289 1.00 0.00 C ATOM 1124 C GLU A 76 -6.607 4.238 -16.008 1.00 0.00 C ATOM 1125 O GLU A 76 -7.389 3.454 -16.541 1.00 0.00 O ATOM 1126 CB GLU A 76 -4.702 3.649 -17.652 1.00 0.00 C ATOM 1127 CG GLU A 76 -5.299 4.510 -18.772 1.00 0.00 C ATOM 1128 CD GLU A 76 -4.522 4.382 -20.073 1.00 0.00 C ATOM 1129 OE1 GLU A 76 -4.839 3.494 -20.892 1.00 0.00 O ATOM 1130 OE2 GLU A 76 -3.668 5.254 -20.339 1.00 0.00 O ATOM 0 H GLU A 76 -4.190 2.596 -15.346 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.790 5.276 -16.354 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.616 3.617 -17.743 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.060 2.623 -17.738 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -6.335 4.217 -18.940 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.310 5.554 -18.459 1.00 0.00 H new ATOM 1137 N VAL A 77 -6.960 5.129 -15.088 1.00 0.00 N ATOM 1138 CA VAL A 77 -8.330 5.504 -14.707 1.00 0.00 C ATOM 1139 C VAL A 77 -9.050 6.169 -15.899 1.00 0.00 C ATOM 1140 O VAL A 77 -8.394 6.695 -16.802 1.00 0.00 O ATOM 1141 CB VAL A 77 -8.282 6.408 -13.447 1.00 0.00 C ATOM 1142 CG1 VAL A 77 -9.658 6.786 -12.873 1.00 0.00 C ATOM 1143 CG2 VAL A 77 -7.487 5.716 -12.313 1.00 0.00 C ATOM 0 H VAL A 77 -6.261 5.643 -14.552 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.910 4.617 -14.451 1.00 0.00 H new ATOM 0 HB VAL A 77 -7.801 7.324 -13.790 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -9.525 7.418 -11.995 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -10.230 7.327 -13.626 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -10.195 5.881 -12.590 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.464 6.364 -11.437 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.969 4.773 -12.054 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.468 5.523 -12.649 1.00 0.00 H new TER 1153 VAL A 77