USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=28 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 13 HIS : no HE2:sc= -0.571 K(o=-0.3,f=-1.5) USER MOD Set 1.2: A 17 CYS SG : rot -63:sc= -0.406! USER MOD Set 1.3: A 69 TYR OH : rot -3:sc= 0.675 USER MOD Set 2.1: A 3 SER OG : rot 159:sc= 1.26 USER MOD Set 2.2: A 47 TYR OH : rot 90:sc= 0.549 USER MOD Single : A 1 ASN : amide:sc= 0.295 X(o=0.29,f=0) USER MOD Single : A 1 ASN N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot -18:sc= 0.145 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl 171:sc= -0.92 (180deg=-1.22) USER MOD Single : A 14 CYS SG : rot 49:sc= 0.0701 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.15 X(o=-0.15,f=-0.019) USER MOD Single : A 23 SER OG : rot 80:sc= 1.27 USER MOD Single : A 24 THR OG1 : rot 81:sc= 0.964 USER MOD Single : A 26 SER OG : rot -40:sc= 0.976 USER MOD Single : A 29 GLN : amide:sc= 0.783 K(o=0.78,f=-5.4!) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 27:sc= 1.22 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.316 X(o=-0.32,f=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.186 X(o=-0.19,f=-0.0051) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0.314 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0507 USER MOD Single : A 56 SER OG : rot 180:sc= 0.0321 USER MOD Single : A 59 LYS NZ :NH3+ -176:sc= 1.1 (180deg=0.995) USER MOD Single : A 65 SER OG : rot 103:sc= 1.93 USER MOD Single : A 72 SER OG : rot 66:sc= 0.464 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 -13.346 -14.490 -6.958 1.00 0.00 N ATOM 2 CA ASN A 1 -12.199 -13.641 -7.291 1.00 0.00 C ATOM 3 C ASN A 1 -11.846 -12.588 -6.232 1.00 0.00 C ATOM 4 O ASN A 1 -12.674 -12.123 -5.448 1.00 0.00 O ATOM 5 CB ASN A 1 -12.452 -12.911 -8.626 1.00 0.00 C ATOM 6 CG ASN A 1 -11.684 -13.553 -9.766 1.00 0.00 C ATOM 7 OD1 ASN A 1 -12.283 -14.207 -10.614 1.00 0.00 O ATOM 8 ND2 ASN A 1 -10.370 -13.391 -9.820 1.00 0.00 N ATOM 0 H1 ASN A 1 -13.510 -15.169 -7.728 1.00 0.00 H new ATOM 0 H2 ASN A 1 -13.151 -15.007 -6.077 1.00 0.00 H new ATOM 0 H3 ASN A 1 -14.192 -13.898 -6.833 1.00 0.00 H new ATOM 0 HA ASN A 1 -11.353 -14.326 -7.352 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -13.518 -12.923 -8.852 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -12.158 -11.866 -8.531 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -9.835 -13.814 -10.578 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -9.894 -12.843 -9.104 1.00 0.00 H new ATOM 15 N ASP A 2 -10.584 -12.190 -6.305 1.00 0.00 N ATOM 16 CA ASP A 2 -9.926 -11.075 -5.649 1.00 0.00 C ATOM 17 C ASP A 2 -10.156 -9.730 -6.368 1.00 0.00 C ATOM 18 O ASP A 2 -10.674 -9.658 -7.482 1.00 0.00 O ATOM 19 CB ASP A 2 -8.421 -11.409 -5.613 1.00 0.00 C ATOM 20 CG ASP A 2 -7.783 -11.609 -7.008 1.00 0.00 C ATOM 21 OD1 ASP A 2 -8.305 -12.450 -7.787 1.00 0.00 O ATOM 22 OD2 ASP A 2 -6.751 -10.954 -7.268 1.00 0.00 O ATOM 0 H ASP A 2 -9.925 -12.700 -6.893 1.00 0.00 H new ATOM 0 HA ASP A 2 -10.343 -10.949 -4.650 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -7.894 -10.607 -5.097 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -8.275 -12.316 -5.026 1.00 0.00 H new ATOM 27 N SER A 3 -9.742 -8.651 -5.709 1.00 0.00 N ATOM 28 CA SER A 3 -9.612 -7.308 -6.268 1.00 0.00 C ATOM 29 C SER A 3 -8.215 -6.779 -5.927 1.00 0.00 C ATOM 30 O SER A 3 -7.479 -7.368 -5.130 1.00 0.00 O ATOM 31 CB SER A 3 -10.693 -6.375 -5.710 1.00 0.00 C ATOM 32 OG SER A 3 -10.723 -5.118 -6.369 1.00 0.00 O ATOM 0 H SER A 3 -9.476 -8.691 -4.725 1.00 0.00 H new ATOM 0 HA SER A 3 -9.743 -7.346 -7.349 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.667 -6.855 -5.806 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.519 -6.219 -4.645 1.00 0.00 H new ATOM 0 HG SER A 3 -11.600 -4.701 -6.238 1.00 0.00 H new ATOM 38 N THR A 4 -7.828 -5.645 -6.507 1.00 0.00 N ATOM 39 CA THR A 4 -6.465 -5.124 -6.357 1.00 0.00 C ATOM 40 C THR A 4 -6.415 -3.622 -6.550 1.00 0.00 C ATOM 41 O THR A 4 -7.347 -3.006 -7.069 1.00 0.00 O ATOM 42 CB THR A 4 -5.470 -5.905 -7.241 1.00 0.00 C ATOM 43 OG1 THR A 4 -4.359 -6.185 -6.446 1.00 0.00 O ATOM 44 CG2 THR A 4 -4.899 -5.203 -8.470 1.00 0.00 C ATOM 0 H THR A 4 -8.437 -5.067 -7.086 1.00 0.00 H new ATOM 0 HA THR A 4 -6.143 -5.291 -5.329 1.00 0.00 H new ATOM 0 HB THR A 4 -6.050 -6.749 -7.613 1.00 0.00 H new ATOM 0 HG1 THR A 4 -4.354 -5.588 -5.669 1.00 0.00 H new ATOM 0 HG21 THR A 4 -4.217 -5.876 -8.989 1.00 0.00 H new ATOM 0 HG22 THR A 4 -5.712 -4.923 -9.140 1.00 0.00 H new ATOM 0 HG23 THR A 4 -4.359 -4.308 -8.160 1.00 0.00 H new ATOM 52 N ALA A 5 -5.309 -3.031 -6.112 1.00 0.00 N ATOM 53 CA ALA A 5 -4.949 -1.644 -6.375 1.00 0.00 C ATOM 54 C ALA A 5 -3.435 -1.408 -6.232 1.00 0.00 C ATOM 55 O ALA A 5 -2.734 -2.186 -5.568 1.00 0.00 O ATOM 56 CB ALA A 5 -5.743 -0.724 -5.442 1.00 0.00 C ATOM 0 H ALA A 5 -4.616 -3.521 -5.546 1.00 0.00 H new ATOM 0 HA ALA A 5 -5.205 -1.412 -7.409 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -5.474 0.314 -5.639 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -6.810 -0.861 -5.617 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -5.511 -0.969 -4.406 1.00 0.00 H new ATOM 62 N THR A 6 -2.965 -0.308 -6.836 1.00 0.00 N ATOM 63 CA THR A 6 -1.561 0.107 -6.861 1.00 0.00 C ATOM 64 C THR A 6 -1.405 1.512 -6.302 1.00 0.00 C ATOM 65 O THR A 6 -2.158 2.423 -6.649 1.00 0.00 O ATOM 66 CB THR A 6 -1.000 0.091 -8.279 1.00 0.00 C ATOM 67 OG1 THR A 6 -1.287 -1.132 -8.911 1.00 0.00 O ATOM 68 CG2 THR A 6 0.513 0.280 -8.280 1.00 0.00 C ATOM 0 H THR A 6 -3.575 0.338 -7.337 1.00 0.00 H new ATOM 0 HA THR A 6 -1.010 -0.604 -6.246 1.00 0.00 H new ATOM 0 HB THR A 6 -1.471 0.914 -8.816 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.921 -1.124 -9.820 1.00 0.00 H new ATOM 0 HG21 THR A 6 0.881 0.264 -9.306 1.00 0.00 H new ATOM 0 HG22 THR A 6 0.760 1.237 -7.821 1.00 0.00 H new ATOM 0 HG23 THR A 6 0.981 -0.526 -7.714 1.00 0.00 H new ATOM 76 N PHE A 7 -0.377 1.682 -5.476 1.00 0.00 N ATOM 77 CA PHE A 7 -0.086 2.910 -4.743 1.00 0.00 C ATOM 78 C PHE A 7 1.410 3.227 -4.775 1.00 0.00 C ATOM 79 O PHE A 7 2.255 2.333 -4.728 1.00 0.00 O ATOM 80 CB PHE A 7 -0.568 2.792 -3.289 1.00 0.00 C ATOM 81 CG PHE A 7 -1.987 2.262 -3.128 1.00 0.00 C ATOM 82 CD1 PHE A 7 -2.252 0.873 -3.131 1.00 0.00 C ATOM 83 CD2 PHE A 7 -3.066 3.166 -3.053 1.00 0.00 C ATOM 84 CE1 PHE A 7 -3.570 0.405 -3.107 1.00 0.00 C ATOM 85 CE2 PHE A 7 -4.387 2.690 -3.032 1.00 0.00 C ATOM 86 CZ PHE A 7 -4.640 1.312 -3.074 1.00 0.00 C ATOM 0 H PHE A 7 0.301 0.942 -5.292 1.00 0.00 H new ATOM 0 HA PHE A 7 -0.620 3.727 -5.229 1.00 0.00 H new ATOM 0 HB2 PHE A 7 0.114 2.136 -2.747 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -0.506 3.774 -2.820 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -1.433 0.170 -3.152 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -2.876 4.228 -3.012 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -3.764 -0.657 -3.114 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -5.210 3.387 -2.983 1.00 0.00 H new ATOM 0 HZ PHE A 7 -5.657 0.949 -3.081 1.00 0.00 H new ATOM 96 N ILE A 8 1.769 4.505 -4.816 1.00 0.00 N ATOM 97 CA ILE A 8 3.143 4.977 -4.876 1.00 0.00 C ATOM 98 C ILE A 8 3.364 6.106 -3.888 1.00 0.00 C ATOM 99 O ILE A 8 2.569 7.040 -3.792 1.00 0.00 O ATOM 100 CB ILE A 8 3.500 5.339 -6.328 1.00 0.00 C ATOM 101 CG1 ILE A 8 5.019 5.547 -6.421 1.00 0.00 C ATOM 102 CG2 ILE A 8 2.733 6.537 -6.903 1.00 0.00 C ATOM 103 CD1 ILE A 8 5.573 5.364 -7.835 1.00 0.00 C ATOM 0 H ILE A 8 1.088 5.264 -4.808 1.00 0.00 H new ATOM 0 HA ILE A 8 3.828 4.185 -4.573 1.00 0.00 H new ATOM 0 HB ILE A 8 3.185 4.503 -6.952 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.263 6.550 -6.070 1.00 0.00 H new ATOM 0 HG13 ILE A 8 5.516 4.846 -5.751 1.00 0.00 H new ATOM 0 HG21 ILE A 8 3.053 6.715 -7.930 1.00 0.00 H new ATOM 0 HG22 ILE A 8 1.664 6.326 -6.887 1.00 0.00 H new ATOM 0 HG23 ILE A 8 2.937 7.422 -6.301 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.651 5.525 -7.827 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.360 4.353 -8.181 1.00 0.00 H new ATOM 0 HD13 ILE A 8 5.103 6.083 -8.506 1.00 0.00 H new ATOM 115 N ILE A 9 4.434 5.966 -3.115 1.00 0.00 N ATOM 116 CA ILE A 9 4.735 6.785 -1.954 1.00 0.00 C ATOM 117 C ILE A 9 5.903 7.712 -2.287 1.00 0.00 C ATOM 118 O ILE A 9 7.069 7.328 -2.233 1.00 0.00 O ATOM 119 CB ILE A 9 5.069 5.900 -0.735 1.00 0.00 C ATOM 120 CG1 ILE A 9 4.053 4.803 -0.345 1.00 0.00 C ATOM 121 CG2 ILE A 9 5.232 6.837 0.480 1.00 0.00 C ATOM 122 CD1 ILE A 9 3.802 3.631 -1.282 1.00 0.00 C ATOM 0 H ILE A 9 5.141 5.251 -3.289 1.00 0.00 H new ATOM 0 HA ILE A 9 3.861 7.384 -1.697 1.00 0.00 H new ATOM 0 HB ILE A 9 5.965 5.351 -1.026 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.373 4.390 0.612 1.00 0.00 H new ATOM 0 HG13 ILE A 9 3.095 5.294 -0.176 1.00 0.00 H new ATOM 0 HG21 ILE A 9 5.470 6.247 1.365 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.039 7.545 0.288 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.303 7.382 0.646 1.00 0.00 H new ATOM 0 HD11 ILE A 9 3.060 2.965 -0.841 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.434 4.002 -2.239 1.00 0.00 H new ATOM 0 HD13 ILE A 9 4.732 3.085 -1.438 1.00 0.00 H new ATOM 134 N ASP A 10 5.591 8.961 -2.585 1.00 0.00 N ATOM 135 CA ASP A 10 6.551 10.003 -2.965 1.00 0.00 C ATOM 136 C ASP A 10 7.438 10.516 -1.814 1.00 0.00 C ATOM 137 O ASP A 10 8.273 11.393 -2.011 1.00 0.00 O ATOM 138 CB ASP A 10 5.754 11.149 -3.616 1.00 0.00 C ATOM 139 CG ASP A 10 5.832 11.180 -5.135 1.00 0.00 C ATOM 140 OD1 ASP A 10 6.954 11.105 -5.681 1.00 0.00 O ATOM 141 OD2 ASP A 10 4.745 11.235 -5.749 1.00 0.00 O ATOM 0 H ASP A 10 4.628 9.298 -2.571 1.00 0.00 H new ATOM 0 HA ASP A 10 7.264 9.564 -3.663 1.00 0.00 H new ATOM 0 HB2 ASP A 10 4.709 11.064 -3.319 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.120 12.098 -3.225 1.00 0.00 H new ATOM 146 N GLY A 11 7.257 9.953 -0.621 1.00 0.00 N ATOM 147 CA GLY A 11 7.897 10.364 0.630 1.00 0.00 C ATOM 148 C GLY A 11 8.272 9.158 1.476 1.00 0.00 C ATOM 149 O GLY A 11 8.125 9.172 2.689 1.00 0.00 O ATOM 0 H GLY A 11 6.630 9.159 -0.493 1.00 0.00 H new ATOM 0 HA2 GLY A 11 8.790 10.949 0.410 1.00 0.00 H new ATOM 0 HA3 GLY A 11 7.223 11.010 1.192 1.00 0.00 H new ATOM 153 N MET A 12 8.683 8.072 0.824 1.00 0.00 N ATOM 154 CA MET A 12 9.064 6.824 1.479 1.00 0.00 C ATOM 155 C MET A 12 10.561 6.802 1.795 1.00 0.00 C ATOM 156 O MET A 12 11.373 7.244 0.988 1.00 0.00 O ATOM 157 CB MET A 12 8.717 5.644 0.552 1.00 0.00 C ATOM 158 CG MET A 12 8.162 4.442 1.300 1.00 0.00 C ATOM 159 SD MET A 12 8.708 2.834 0.666 1.00 0.00 S ATOM 160 CE MET A 12 7.581 2.677 -0.731 1.00 0.00 C ATOM 0 H MET A 12 8.762 8.035 -0.192 1.00 0.00 H new ATOM 0 HA MET A 12 8.517 6.741 2.418 1.00 0.00 H new ATOM 0 HB2 MET A 12 7.987 5.973 -0.188 1.00 0.00 H new ATOM 0 HB3 MET A 12 9.611 5.344 0.006 1.00 0.00 H new ATOM 0 HG2 MET A 12 8.449 4.520 2.349 1.00 0.00 H new ATOM 0 HG3 MET A 12 7.073 4.480 1.264 1.00 0.00 H new ATOM 0 HE1 MET A 12 7.873 1.821 -1.340 1.00 0.00 H new ATOM 0 HE2 MET A 12 6.565 2.532 -0.364 1.00 0.00 H new ATOM 0 HE3 MET A 12 7.622 3.583 -1.335 1.00 0.00 H new ATOM 170 N HIS A 13 10.948 6.130 2.883 1.00 0.00 N ATOM 171 CA HIS A 13 12.356 5.802 3.176 1.00 0.00 C ATOM 172 C HIS A 13 12.881 4.665 2.258 1.00 0.00 C ATOM 173 O HIS A 13 13.983 4.148 2.442 1.00 0.00 O ATOM 174 CB HIS A 13 12.520 5.356 4.637 1.00 0.00 C ATOM 175 CG HIS A 13 12.056 6.276 5.751 1.00 0.00 C ATOM 176 ND1 HIS A 13 12.643 6.353 6.999 1.00 0.00 N ATOM 177 CD2 HIS A 13 10.937 7.074 5.805 1.00 0.00 C ATOM 178 CE1 HIS A 13 11.898 7.158 7.772 1.00 0.00 C ATOM 179 NE2 HIS A 13 10.845 7.612 7.087 1.00 0.00 N ATOM 0 H HIS A 13 10.295 5.795 3.591 1.00 0.00 H new ATOM 0 HA HIS A 13 12.933 6.708 2.993 1.00 0.00 H new ATOM 0 HB2 HIS A 13 11.991 4.410 4.752 1.00 0.00 H new ATOM 0 HB3 HIS A 13 13.578 5.152 4.800 1.00 0.00 H new ATOM 0 HD1 HIS A 13 13.499 5.878 7.285 1.00 0.00 H new ATOM 0 HD2 HIS A 13 10.248 7.253 4.993 1.00 0.00 H new ATOM 0 HE1 HIS A 13 12.118 7.404 8.800 1.00 0.00 H new ATOM 187 N CYS A 14 12.046 4.209 1.320 1.00 0.00 N ATOM 188 CA CYS A 14 12.296 3.157 0.344 1.00 0.00 C ATOM 189 C CYS A 14 12.581 1.800 1.013 1.00 0.00 C ATOM 190 O CYS A 14 11.690 1.223 1.636 1.00 0.00 O ATOM 191 CB CYS A 14 13.316 3.653 -0.694 1.00 0.00 C ATOM 192 SG CYS A 14 12.622 5.102 -1.554 1.00 0.00 S ATOM 0 H CYS A 14 11.109 4.598 1.220 1.00 0.00 H new ATOM 0 HA CYS A 14 11.394 2.939 -0.228 1.00 0.00 H new ATOM 0 HB2 CYS A 14 14.254 3.918 -0.205 1.00 0.00 H new ATOM 0 HB3 CYS A 14 13.542 2.862 -1.409 1.00 0.00 H new ATOM 0 HG CYS A 14 12.159 5.945 -0.679 1.00 0.00 H new ATOM 198 N LYS A 15 13.806 1.283 0.899 1.00 0.00 N ATOM 199 CA LYS A 15 14.168 -0.109 1.216 1.00 0.00 C ATOM 200 C LYS A 15 13.661 -0.620 2.585 1.00 0.00 C ATOM 201 O LYS A 15 12.939 -1.609 2.615 1.00 0.00 O ATOM 202 CB LYS A 15 15.669 -0.316 0.919 1.00 0.00 C ATOM 203 CG LYS A 15 15.969 -0.676 -0.562 1.00 0.00 C ATOM 204 CD LYS A 15 15.388 0.277 -1.632 1.00 0.00 C ATOM 205 CE LYS A 15 15.520 -0.219 -3.084 1.00 0.00 C ATOM 206 NZ LYS A 15 16.782 0.169 -3.760 1.00 0.00 N ATOM 0 H LYS A 15 14.601 1.834 0.574 1.00 0.00 H new ATOM 0 HA LYS A 15 13.615 -0.776 0.554 1.00 0.00 H new ATOM 0 HB2 LYS A 15 16.211 0.593 1.179 1.00 0.00 H new ATOM 0 HB3 LYS A 15 16.051 -1.110 1.561 1.00 0.00 H new ATOM 0 HG2 LYS A 15 17.051 -0.716 -0.691 1.00 0.00 H new ATOM 0 HG3 LYS A 15 15.587 -1.679 -0.754 1.00 0.00 H new ATOM 0 HD2 LYS A 15 14.333 0.443 -1.415 1.00 0.00 H new ATOM 0 HD3 LYS A 15 15.887 1.242 -1.547 1.00 0.00 H new ATOM 0 HE2 LYS A 15 15.440 -1.306 -3.091 1.00 0.00 H new ATOM 0 HE3 LYS A 15 14.681 0.166 -3.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 16.786 -0.206 -4.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 16.856 1.206 -3.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 17.591 -0.221 -3.235 1.00 0.00 H new ATOM 220 N SER A 16 13.890 0.067 3.702 1.00 0.00 N ATOM 221 CA SER A 16 13.292 -0.354 4.988 1.00 0.00 C ATOM 222 C SER A 16 11.825 0.068 5.161 1.00 0.00 C ATOM 223 O SER A 16 11.110 -0.588 5.913 1.00 0.00 O ATOM 224 CB SER A 16 14.107 0.181 6.170 1.00 0.00 C ATOM 225 OG SER A 16 15.496 -0.061 5.989 1.00 0.00 O ATOM 0 H SER A 16 14.472 0.903 3.754 1.00 0.00 H new ATOM 0 HA SER A 16 13.315 -1.444 4.970 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.933 1.251 6.280 1.00 0.00 H new ATOM 0 HB3 SER A 16 13.770 -0.293 7.092 1.00 0.00 H new ATOM 0 HG SER A 16 15.992 0.292 6.757 1.00 0.00 H new ATOM 231 N CYS A 17 11.334 1.102 4.456 1.00 0.00 N ATOM 232 CA CYS A 17 9.902 1.413 4.458 1.00 0.00 C ATOM 233 C CYS A 17 9.082 0.281 3.842 1.00 0.00 C ATOM 234 O CYS A 17 8.063 -0.043 4.439 1.00 0.00 O ATOM 235 CB CYS A 17 9.604 2.796 3.852 1.00 0.00 C ATOM 236 SG CYS A 17 9.494 4.036 5.173 1.00 0.00 S ATOM 0 H CYS A 17 11.903 1.727 3.885 1.00 0.00 H new ATOM 0 HA CYS A 17 9.581 1.484 5.497 1.00 0.00 H new ATOM 0 HB2 CYS A 17 10.389 3.071 3.147 1.00 0.00 H new ATOM 0 HB3 CYS A 17 8.669 2.764 3.292 1.00 0.00 H new ATOM 0 HG CYS A 17 8.498 3.748 5.957 1.00 0.00 H new ATOM 242 N VAL A 18 9.525 -0.372 2.761 1.00 0.00 N ATOM 243 CA VAL A 18 8.818 -1.491 2.131 1.00 0.00 C ATOM 244 C VAL A 18 8.361 -2.544 3.138 1.00 0.00 C ATOM 245 O VAL A 18 7.175 -2.849 3.182 1.00 0.00 O ATOM 246 CB VAL A 18 9.724 -2.101 1.051 1.00 0.00 C ATOM 247 CG1 VAL A 18 9.267 -3.504 0.615 1.00 0.00 C ATOM 248 CG2 VAL A 18 9.841 -1.068 -0.090 1.00 0.00 C ATOM 0 H VAL A 18 10.399 -0.133 2.293 1.00 0.00 H new ATOM 0 HA VAL A 18 7.905 -1.109 1.675 1.00 0.00 H new ATOM 0 HB VAL A 18 10.723 -2.291 1.444 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.944 -3.886 -0.149 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.276 -4.173 1.475 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.257 -3.448 0.210 1.00 0.00 H new ATOM 0 HG21 VAL A 18 10.479 -1.467 -0.878 1.00 0.00 H new ATOM 0 HG22 VAL A 18 8.851 -0.860 -0.495 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.276 -0.146 0.297 1.00 0.00 H new ATOM 258 N SER A 19 9.264 -3.027 3.991 1.00 0.00 N ATOM 259 CA SER A 19 8.953 -4.043 5.004 1.00 0.00 C ATOM 260 C SER A 19 7.786 -3.615 5.909 1.00 0.00 C ATOM 261 O SER A 19 6.860 -4.393 6.150 1.00 0.00 O ATOM 262 CB SER A 19 10.224 -4.240 5.846 1.00 0.00 C ATOM 263 OG SER A 19 10.144 -5.391 6.667 1.00 0.00 O ATOM 0 H SER A 19 10.238 -2.725 4.001 1.00 0.00 H new ATOM 0 HA SER A 19 8.646 -4.967 4.514 1.00 0.00 H new ATOM 0 HB2 SER A 19 11.087 -4.325 5.185 1.00 0.00 H new ATOM 0 HB3 SER A 19 10.386 -3.361 6.469 1.00 0.00 H new ATOM 0 HG SER A 19 10.971 -5.482 7.185 1.00 0.00 H new ATOM 269 N ASN A 20 7.773 -2.355 6.355 1.00 0.00 N ATOM 270 CA ASN A 20 6.659 -1.794 7.128 1.00 0.00 C ATOM 271 C ASN A 20 5.344 -1.747 6.346 1.00 0.00 C ATOM 272 O ASN A 20 4.283 -1.961 6.927 1.00 0.00 O ATOM 273 CB ASN A 20 6.974 -0.356 7.526 1.00 0.00 C ATOM 274 CG ASN A 20 8.259 -0.205 8.315 1.00 0.00 C ATOM 275 OD1 ASN A 20 8.625 -1.014 9.155 1.00 0.00 O ATOM 276 ND2 ASN A 20 8.991 0.846 8.016 1.00 0.00 N ATOM 0 H ASN A 20 8.533 -1.695 6.191 1.00 0.00 H new ATOM 0 HA ASN A 20 6.541 -2.450 7.990 1.00 0.00 H new ATOM 0 HB2 ASN A 20 7.038 0.254 6.625 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.147 0.036 8.118 1.00 0.00 H new ATOM 0 HD21 ASN A 20 9.882 0.998 8.488 1.00 0.00 H new ATOM 0 HD22 ASN A 20 8.667 1.509 7.312 1.00 0.00 H new ATOM 283 N ILE A 21 5.394 -1.410 5.052 1.00 0.00 N ATOM 284 CA ILE A 21 4.185 -1.260 4.226 1.00 0.00 C ATOM 285 C ILE A 21 3.581 -2.627 3.927 1.00 0.00 C ATOM 286 O ILE A 21 2.384 -2.807 4.130 1.00 0.00 O ATOM 287 CB ILE A 21 4.436 -0.480 2.915 1.00 0.00 C ATOM 288 CG1 ILE A 21 5.527 0.612 3.047 1.00 0.00 C ATOM 289 CG2 ILE A 21 3.071 0.023 2.401 1.00 0.00 C ATOM 290 CD1 ILE A 21 5.393 1.764 2.048 1.00 0.00 C ATOM 0 H ILE A 21 6.264 -1.234 4.549 1.00 0.00 H new ATOM 0 HA ILE A 21 3.479 -0.666 4.806 1.00 0.00 H new ATOM 0 HB ILE A 21 4.866 -1.140 2.162 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.496 1.018 4.058 1.00 0.00 H new ATOM 0 HG13 ILE A 21 6.505 0.148 2.919 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.214 0.579 1.474 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.416 -0.828 2.216 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.618 0.674 3.149 1.00 0.00 H new ATOM 0 HD11 ILE A 21 6.197 2.482 2.211 1.00 0.00 H new ATOM 0 HD12 ILE A 21 5.456 1.374 1.032 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.431 2.257 2.189 1.00 0.00 H new ATOM 302 N GLU A 22 4.419 -3.589 3.539 1.00 0.00 N ATOM 303 CA GLU A 22 4.059 -4.995 3.419 1.00 0.00 C ATOM 304 C GLU A 22 3.398 -5.478 4.721 1.00 0.00 C ATOM 305 O GLU A 22 2.291 -6.006 4.697 1.00 0.00 O ATOM 306 CB GLU A 22 5.325 -5.793 3.031 1.00 0.00 C ATOM 307 CG GLU A 22 5.769 -5.468 1.587 1.00 0.00 C ATOM 308 CD GLU A 22 6.389 -6.636 0.818 1.00 0.00 C ATOM 309 OE1 GLU A 22 7.308 -7.261 1.385 1.00 0.00 O ATOM 310 OE2 GLU A 22 5.955 -6.848 -0.342 1.00 0.00 O ATOM 0 H GLU A 22 5.391 -3.403 3.294 1.00 0.00 H new ATOM 0 HA GLU A 22 3.321 -5.152 2.632 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.133 -5.558 3.724 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.127 -6.861 3.122 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.904 -5.106 1.031 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.491 -4.652 1.621 1.00 0.00 H new ATOM 317 N SER A 23 3.999 -5.193 5.877 1.00 0.00 N ATOM 318 CA SER A 23 3.463 -5.628 7.176 1.00 0.00 C ATOM 319 C SER A 23 2.171 -4.926 7.621 1.00 0.00 C ATOM 320 O SER A 23 1.276 -5.579 8.161 1.00 0.00 O ATOM 321 CB SER A 23 4.539 -5.423 8.255 1.00 0.00 C ATOM 322 OG SER A 23 5.753 -6.080 7.933 1.00 0.00 O ATOM 0 H SER A 23 4.865 -4.658 5.944 1.00 0.00 H new ATOM 0 HA SER A 23 3.199 -6.678 7.048 1.00 0.00 H new ATOM 0 HB2 SER A 23 4.727 -4.357 8.380 1.00 0.00 H new ATOM 0 HB3 SER A 23 4.169 -5.795 9.210 1.00 0.00 H new ATOM 0 HG SER A 23 6.257 -5.540 7.289 1.00 0.00 H new ATOM 328 N THR A 24 2.074 -3.603 7.433 1.00 0.00 N ATOM 329 CA THR A 24 0.951 -2.769 7.900 1.00 0.00 C ATOM 330 C THR A 24 -0.279 -2.977 7.042 1.00 0.00 C ATOM 331 O THR A 24 -1.390 -3.022 7.563 1.00 0.00 O ATOM 332 CB THR A 24 1.334 -1.282 7.963 1.00 0.00 C ATOM 333 OG1 THR A 24 2.425 -1.174 8.838 1.00 0.00 O ATOM 334 CG2 THR A 24 0.226 -0.385 8.513 1.00 0.00 C ATOM 0 H THR A 24 2.789 -3.068 6.941 1.00 0.00 H new ATOM 0 HA THR A 24 0.712 -3.088 8.915 1.00 0.00 H new ATOM 0 HB THR A 24 1.546 -0.954 6.945 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.248 -1.418 8.366 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.569 0.650 8.528 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.656 -0.466 7.878 1.00 0.00 H new ATOM 0 HG23 THR A 24 -0.026 -0.698 9.526 1.00 0.00 H new ATOM 342 N LEU A 25 -0.078 -3.131 5.734 1.00 0.00 N ATOM 343 CA LEU A 25 -1.155 -3.515 4.842 1.00 0.00 C ATOM 344 C LEU A 25 -1.549 -4.971 4.997 1.00 0.00 C ATOM 345 O LEU A 25 -2.744 -5.206 5.103 1.00 0.00 O ATOM 346 CB LEU A 25 -0.802 -3.202 3.397 1.00 0.00 C ATOM 347 CG LEU A 25 -0.597 -1.707 3.096 1.00 0.00 C ATOM 348 CD1 LEU A 25 -0.873 -1.502 1.612 1.00 0.00 C ATOM 349 CD2 LEU A 25 -1.524 -0.750 3.846 1.00 0.00 C ATOM 0 H LEU A 25 0.823 -2.994 5.275 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.023 -2.920 5.125 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.109 -3.740 3.135 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.594 -3.583 2.753 1.00 0.00 H new ATOM 0 HG LEU A 25 0.419 -1.474 3.414 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.738 -0.451 1.359 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.182 -2.108 1.026 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.897 -1.800 1.388 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.295 0.277 3.561 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.560 -0.974 3.593 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.379 -0.869 4.920 1.00 0.00 H new ATOM 361 N SER A 26 -0.635 -5.948 5.065 1.00 0.00 N ATOM 362 CA SER A 26 -1.027 -7.374 5.100 1.00 0.00 C ATOM 363 C SER A 26 -1.724 -7.818 6.411 1.00 0.00 C ATOM 364 O SER A 26 -1.866 -9.015 6.674 1.00 0.00 O ATOM 365 CB SER A 26 0.186 -8.259 4.772 1.00 0.00 C ATOM 366 OG SER A 26 -0.181 -9.623 4.685 1.00 0.00 O ATOM 0 H SER A 26 0.372 -5.786 5.097 1.00 0.00 H new ATOM 0 HA SER A 26 -1.790 -7.502 4.332 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.628 -7.938 3.829 1.00 0.00 H new ATOM 0 HB3 SER A 26 0.949 -8.134 5.541 1.00 0.00 H new ATOM 0 HG SER A 26 -0.827 -9.834 5.391 1.00 0.00 H new ATOM 372 N ALA A 27 -2.164 -6.864 7.232 1.00 0.00 N ATOM 373 CA ALA A 27 -2.910 -7.076 8.467 1.00 0.00 C ATOM 374 C ALA A 27 -4.378 -6.618 8.360 1.00 0.00 C ATOM 375 O ALA A 27 -5.140 -6.800 9.310 1.00 0.00 O ATOM 376 CB ALA A 27 -2.163 -6.307 9.568 1.00 0.00 C ATOM 0 H ALA A 27 -2.000 -5.875 7.042 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.961 -8.141 8.693 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.683 -6.434 10.517 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.147 -6.693 9.656 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -2.128 -5.248 9.312 1.00 0.00 H new ATOM 382 N LEU A 28 -4.790 -5.996 7.245 1.00 0.00 N ATOM 383 CA LEU A 28 -6.086 -5.331 7.166 1.00 0.00 C ATOM 384 C LEU A 28 -7.226 -6.341 7.027 1.00 0.00 C ATOM 385 O LEU A 28 -7.128 -7.281 6.234 1.00 0.00 O ATOM 386 CB LEU A 28 -6.079 -4.330 6.004 1.00 0.00 C ATOM 387 CG LEU A 28 -5.070 -3.182 6.173 1.00 0.00 C ATOM 388 CD1 LEU A 28 -4.826 -2.473 4.840 1.00 0.00 C ATOM 389 CD2 LEU A 28 -5.591 -2.160 7.183 1.00 0.00 C ATOM 0 H LEU A 28 -4.239 -5.943 6.388 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.259 -4.789 8.096 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.855 -4.863 5.080 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.078 -3.909 5.895 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.135 -3.613 6.531 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.109 -1.665 4.984 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.430 -3.185 4.116 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.765 -2.063 4.469 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.866 -1.354 7.292 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.538 -1.751 6.831 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.741 -2.645 8.147 1.00 0.00 H new ATOM 401 N GLN A 29 -8.330 -6.114 7.746 1.00 0.00 N ATOM 402 CA GLN A 29 -9.499 -7.005 7.862 1.00 0.00 C ATOM 403 C GLN A 29 -10.368 -7.013 6.587 1.00 0.00 C ATOM 404 O GLN A 29 -11.564 -6.740 6.621 1.00 0.00 O ATOM 405 CB GLN A 29 -10.334 -6.652 9.113 1.00 0.00 C ATOM 406 CG GLN A 29 -9.555 -6.604 10.441 1.00 0.00 C ATOM 407 CD GLN A 29 -9.061 -5.199 10.796 1.00 0.00 C ATOM 408 OE1 GLN A 29 -8.633 -4.423 9.958 1.00 0.00 O ATOM 409 NE2 GLN A 29 -9.118 -4.796 12.047 1.00 0.00 N ATOM 0 H GLN A 29 -8.442 -5.260 8.293 1.00 0.00 H new ATOM 0 HA GLN A 29 -9.118 -8.020 7.979 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -10.803 -5.681 8.953 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -11.137 -7.382 9.210 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -10.194 -6.972 11.244 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -8.701 -7.278 10.379 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -9.472 -5.423 12.769 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -8.809 -3.856 12.295 1.00 0.00 H new ATOM 418 N TYR A 30 -9.730 -7.320 5.459 1.00 0.00 N ATOM 419 CA TYR A 30 -10.217 -7.252 4.080 1.00 0.00 C ATOM 420 C TYR A 30 -9.142 -7.553 3.025 1.00 0.00 C ATOM 421 O TYR A 30 -9.509 -7.912 1.909 1.00 0.00 O ATOM 422 CB TYR A 30 -10.866 -5.892 3.765 1.00 0.00 C ATOM 423 CG TYR A 30 -10.118 -4.632 4.187 1.00 0.00 C ATOM 424 CD1 TYR A 30 -8.891 -4.267 3.593 1.00 0.00 C ATOM 425 CD2 TYR A 30 -10.704 -3.765 5.132 1.00 0.00 C ATOM 426 CE1 TYR A 30 -8.330 -3.013 3.870 1.00 0.00 C ATOM 427 CE2 TYR A 30 -10.118 -2.522 5.441 1.00 0.00 C ATOM 428 CZ TYR A 30 -8.934 -2.130 4.786 1.00 0.00 C ATOM 429 OH TYR A 30 -8.353 -0.928 5.049 1.00 0.00 O ATOM 0 H TYR A 30 -8.767 -7.655 5.489 1.00 0.00 H new ATOM 0 HA TYR A 30 -10.968 -8.040 4.018 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -11.029 -5.840 2.688 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -11.848 -5.872 4.237 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -8.386 -4.952 2.927 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -11.618 -4.059 5.627 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -7.418 -2.718 3.372 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -10.573 -1.874 6.175 1.00 0.00 H new ATOM 0 HH TYR A 30 -8.896 -0.438 5.702 1.00 0.00 H new ATOM 439 N VAL A 31 -7.839 -7.407 3.310 1.00 0.00 N ATOM 440 CA VAL A 31 -6.804 -7.668 2.295 1.00 0.00 C ATOM 441 C VAL A 31 -6.446 -9.157 2.310 1.00 0.00 C ATOM 442 O VAL A 31 -6.433 -9.786 3.363 1.00 0.00 O ATOM 443 CB VAL A 31 -5.585 -6.730 2.401 1.00 0.00 C ATOM 444 CG1 VAL A 31 -4.747 -7.062 3.587 1.00 0.00 C ATOM 445 CG2 VAL A 31 -4.652 -6.756 1.177 1.00 0.00 C ATOM 0 H VAL A 31 -7.480 -7.115 4.219 1.00 0.00 H new ATOM 0 HA VAL A 31 -7.215 -7.429 1.314 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.028 -5.737 2.480 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.896 -6.383 3.633 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.343 -6.959 4.494 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.388 -8.088 3.503 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.822 -6.067 1.337 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.264 -7.765 1.036 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.208 -6.454 0.289 1.00 0.00 H new ATOM 455 N SER A 32 -6.195 -9.725 1.134 1.00 0.00 N ATOM 456 CA SER A 32 -5.881 -11.149 0.968 1.00 0.00 C ATOM 457 C SER A 32 -4.401 -11.391 0.615 1.00 0.00 C ATOM 458 O SER A 32 -3.886 -12.487 0.815 1.00 0.00 O ATOM 459 CB SER A 32 -6.814 -11.713 -0.109 1.00 0.00 C ATOM 460 OG SER A 32 -6.893 -13.119 -0.003 1.00 0.00 O ATOM 0 H SER A 32 -6.203 -9.206 0.256 1.00 0.00 H new ATOM 0 HA SER A 32 -6.041 -11.664 1.915 1.00 0.00 H new ATOM 0 HB2 SER A 32 -7.808 -11.277 -0.003 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.448 -11.436 -1.098 1.00 0.00 H new ATOM 0 HG SER A 32 -7.493 -13.466 -0.696 1.00 0.00 H new ATOM 466 N SER A 33 -3.685 -10.376 0.113 1.00 0.00 N ATOM 467 CA SER A 33 -2.309 -10.448 -0.401 1.00 0.00 C ATOM 468 C SER A 33 -1.761 -9.066 -0.796 1.00 0.00 C ATOM 469 O SER A 33 -2.462 -8.057 -0.805 1.00 0.00 O ATOM 470 CB SER A 33 -2.240 -11.421 -1.588 1.00 0.00 C ATOM 471 OG SER A 33 -2.083 -12.743 -1.118 1.00 0.00 O ATOM 0 H SER A 33 -4.069 -9.433 0.051 1.00 0.00 H new ATOM 0 HA SER A 33 -1.676 -10.820 0.404 1.00 0.00 H new ATOM 0 HB2 SER A 33 -3.148 -11.344 -2.186 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.407 -11.156 -2.239 1.00 0.00 H new ATOM 0 HG SER A 33 -2.475 -12.821 -0.223 1.00 0.00 H new ATOM 477 N ILE A 34 -0.488 -9.015 -1.160 1.00 0.00 N ATOM 478 CA ILE A 34 0.320 -7.806 -1.383 1.00 0.00 C ATOM 479 C ILE A 34 1.705 -8.186 -1.916 1.00 0.00 C ATOM 480 O ILE A 34 2.173 -9.287 -1.635 1.00 0.00 O ATOM 481 CB ILE A 34 0.425 -6.958 -0.079 1.00 0.00 C ATOM 482 CG1 ILE A 34 1.228 -5.658 -0.304 1.00 0.00 C ATOM 483 CG2 ILE A 34 1.021 -7.751 1.104 1.00 0.00 C ATOM 484 CD1 ILE A 34 1.014 -4.624 0.799 1.00 0.00 C ATOM 0 H ILE A 34 0.050 -9.867 -1.320 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.175 -7.189 -2.133 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.599 -6.694 0.185 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.289 -5.900 -0.367 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.943 -5.223 -1.262 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.070 -7.110 1.984 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.390 -8.614 1.318 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.024 -8.090 0.846 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.605 -3.734 0.583 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.041 -4.356 0.847 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.325 -5.043 1.756 1.00 0.00 H new ATOM 496 N VAL A 35 2.306 -7.276 -2.682 1.00 0.00 N ATOM 497 CA VAL A 35 3.716 -7.250 -3.096 1.00 0.00 C ATOM 498 C VAL A 35 4.147 -5.796 -3.179 1.00 0.00 C ATOM 499 O VAL A 35 3.488 -4.984 -3.836 1.00 0.00 O ATOM 500 CB VAL A 35 3.972 -7.900 -4.474 1.00 0.00 C ATOM 501 CG1 VAL A 35 5.339 -7.549 -5.107 1.00 0.00 C ATOM 502 CG2 VAL A 35 3.939 -9.421 -4.314 1.00 0.00 C ATOM 0 H VAL A 35 1.788 -6.481 -3.057 1.00 0.00 H new ATOM 0 HA VAL A 35 4.280 -7.824 -2.361 1.00 0.00 H new ATOM 0 HB VAL A 35 3.193 -7.512 -5.131 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.432 -8.048 -6.071 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.408 -6.470 -5.249 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.141 -7.880 -4.448 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.118 -9.892 -5.280 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.712 -9.730 -3.610 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.963 -9.726 -3.937 1.00 0.00 H new ATOM 512 N VAL A 36 5.290 -5.490 -2.582 1.00 0.00 N ATOM 513 CA VAL A 36 5.956 -4.191 -2.758 1.00 0.00 C ATOM 514 C VAL A 36 7.164 -4.298 -3.692 1.00 0.00 C ATOM 515 O VAL A 36 7.994 -5.203 -3.628 1.00 0.00 O ATOM 516 CB VAL A 36 6.322 -3.561 -1.410 1.00 0.00 C ATOM 517 CG1 VAL A 36 7.194 -2.312 -1.549 1.00 0.00 C ATOM 518 CG2 VAL A 36 5.089 -3.044 -0.664 1.00 0.00 C ATOM 0 H VAL A 36 5.788 -6.129 -1.961 1.00 0.00 H new ATOM 0 HA VAL A 36 5.245 -3.520 -3.240 1.00 0.00 H new ATOM 0 HB VAL A 36 6.836 -4.367 -0.886 1.00 0.00 H new ATOM 0 HG11 VAL A 36 7.419 -1.913 -0.560 1.00 0.00 H new ATOM 0 HG12 VAL A 36 8.124 -2.572 -2.055 1.00 0.00 H new ATOM 0 HG13 VAL A 36 6.662 -1.560 -2.131 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.396 -2.606 0.286 1.00 0.00 H new ATOM 0 HG22 VAL A 36 4.589 -2.287 -1.268 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.403 -3.871 -0.478 1.00 0.00 H new ATOM 528 N SER A 37 7.267 -3.303 -4.568 1.00 0.00 N ATOM 529 CA SER A 37 8.347 -3.142 -5.538 1.00 0.00 C ATOM 530 C SER A 37 9.599 -2.552 -4.877 1.00 0.00 C ATOM 531 O SER A 37 9.845 -1.354 -5.007 1.00 0.00 O ATOM 532 CB SER A 37 7.894 -2.200 -6.665 1.00 0.00 C ATOM 533 OG SER A 37 6.841 -2.724 -7.460 1.00 0.00 O ATOM 0 H SER A 37 6.574 -2.557 -4.624 1.00 0.00 H new ATOM 0 HA SER A 37 8.589 -4.126 -5.939 1.00 0.00 H new ATOM 0 HB2 SER A 37 7.572 -1.255 -6.228 1.00 0.00 H new ATOM 0 HB3 SER A 37 8.747 -1.980 -7.307 1.00 0.00 H new ATOM 0 HG SER A 37 6.601 -2.075 -8.154 1.00 0.00 H new ATOM 539 N LEU A 38 10.409 -3.384 -4.205 1.00 0.00 N ATOM 540 CA LEU A 38 11.500 -2.937 -3.323 1.00 0.00 C ATOM 541 C LEU A 38 12.440 -1.930 -3.951 1.00 0.00 C ATOM 542 O LEU A 38 12.853 -0.987 -3.286 1.00 0.00 O ATOM 543 CB LEU A 38 12.346 -4.101 -2.780 1.00 0.00 C ATOM 544 CG LEU A 38 13.307 -3.637 -1.655 1.00 0.00 C ATOM 545 CD1 LEU A 38 12.627 -2.837 -0.550 1.00 0.00 C ATOM 546 CD2 LEU A 38 13.935 -4.797 -0.908 1.00 0.00 C ATOM 0 H LEU A 38 10.324 -4.399 -4.259 1.00 0.00 H new ATOM 0 HA LEU A 38 10.969 -2.448 -2.506 1.00 0.00 H new ATOM 0 HB2 LEU A 38 11.688 -4.881 -2.397 1.00 0.00 H new ATOM 0 HB3 LEU A 38 12.923 -4.541 -3.593 1.00 0.00 H new ATOM 0 HG LEU A 38 14.033 -3.036 -2.203 1.00 0.00 H new ATOM 0 HD11 LEU A 38 13.366 -2.549 0.198 1.00 0.00 H new ATOM 0 HD12 LEU A 38 12.174 -1.942 -0.975 1.00 0.00 H new ATOM 0 HD13 LEU A 38 11.855 -3.447 -0.082 1.00 0.00 H new ATOM 0 HD21 LEU A 38 14.598 -4.414 -0.132 1.00 0.00 H new ATOM 0 HD22 LEU A 38 13.152 -5.402 -0.450 1.00 0.00 H new ATOM 0 HD23 LEU A 38 14.507 -5.411 -1.604 1.00 0.00 H new ATOM 558 N GLU A 39 12.822 -2.177 -5.198 1.00 0.00 N ATOM 559 CA GLU A 39 13.707 -1.314 -5.963 1.00 0.00 C ATOM 560 C GLU A 39 13.235 0.151 -5.951 1.00 0.00 C ATOM 561 O GLU A 39 14.032 1.074 -5.785 1.00 0.00 O ATOM 562 CB GLU A 39 13.744 -1.834 -7.404 1.00 0.00 C ATOM 563 CG GLU A 39 14.808 -1.130 -8.238 1.00 0.00 C ATOM 564 CD GLU A 39 14.778 -1.669 -9.659 1.00 0.00 C ATOM 565 OE1 GLU A 39 13.833 -1.278 -10.377 1.00 0.00 O ATOM 566 OE2 GLU A 39 15.660 -2.497 -9.970 1.00 0.00 O ATOM 0 H GLU A 39 12.517 -3.002 -5.715 1.00 0.00 H new ATOM 0 HA GLU A 39 14.699 -1.335 -5.511 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.939 -2.906 -7.398 1.00 0.00 H new ATOM 0 HB3 GLU A 39 12.767 -1.691 -7.866 1.00 0.00 H new ATOM 0 HG2 GLU A 39 14.629 -0.055 -8.242 1.00 0.00 H new ATOM 0 HG3 GLU A 39 15.793 -1.288 -7.799 1.00 0.00 H new ATOM 573 N ASN A 40 11.918 0.292 -6.103 1.00 0.00 N ATOM 574 CA ASN A 40 11.095 1.482 -6.278 1.00 0.00 C ATOM 575 C ASN A 40 10.350 1.859 -4.977 1.00 0.00 C ATOM 576 O ASN A 40 10.636 1.381 -3.880 1.00 0.00 O ATOM 577 CB ASN A 40 10.160 1.226 -7.477 1.00 0.00 C ATOM 578 CG ASN A 40 10.938 1.557 -8.736 1.00 0.00 C ATOM 579 OD1 ASN A 40 10.900 2.688 -9.197 1.00 0.00 O ATOM 580 ND2 ASN A 40 11.739 0.629 -9.220 1.00 0.00 N ATOM 0 H ASN A 40 11.328 -0.540 -6.106 1.00 0.00 H new ATOM 0 HA ASN A 40 11.713 2.353 -6.495 1.00 0.00 H new ATOM 0 HB2 ASN A 40 9.830 0.187 -7.492 1.00 0.00 H new ATOM 0 HB3 ASN A 40 9.265 1.844 -7.405 1.00 0.00 H new ATOM 0 HD21 ASN A 40 12.354 0.845 -10.005 1.00 0.00 H new ATOM 0 HD22 ASN A 40 11.744 -0.305 -8.810 1.00 0.00 H new ATOM 587 N ARG A 41 9.427 2.819 -5.089 1.00 0.00 N ATOM 588 CA ARG A 41 8.613 3.363 -3.994 1.00 0.00 C ATOM 589 C ARG A 41 7.111 2.995 -4.064 1.00 0.00 C ATOM 590 O ARG A 41 6.266 3.789 -3.649 1.00 0.00 O ATOM 591 CB ARG A 41 8.869 4.880 -3.916 1.00 0.00 C ATOM 592 CG ARG A 41 8.502 5.620 -5.210 1.00 0.00 C ATOM 593 CD ARG A 41 9.717 6.324 -5.820 1.00 0.00 C ATOM 594 NE ARG A 41 9.893 7.707 -5.329 1.00 0.00 N ATOM 595 CZ ARG A 41 9.128 8.764 -5.585 1.00 0.00 C ATOM 596 NH1 ARG A 41 8.027 8.697 -6.301 1.00 0.00 N ATOM 597 NH2 ARG A 41 9.447 9.945 -5.103 1.00 0.00 N ATOM 0 H ARG A 41 9.216 3.259 -5.985 1.00 0.00 H new ATOM 0 HA ARG A 41 8.927 2.890 -3.064 1.00 0.00 H new ATOM 0 HB2 ARG A 41 8.293 5.298 -3.090 1.00 0.00 H new ATOM 0 HB3 ARG A 41 9.921 5.054 -3.691 1.00 0.00 H new ATOM 0 HG2 ARG A 41 8.091 4.913 -5.930 1.00 0.00 H new ATOM 0 HG3 ARG A 41 7.722 6.353 -5.002 1.00 0.00 H new ATOM 0 HD2 ARG A 41 10.614 5.748 -5.594 1.00 0.00 H new ATOM 0 HD3 ARG A 41 9.613 6.340 -6.905 1.00 0.00 H new ATOM 0 HE ARG A 41 10.696 7.870 -4.722 1.00 0.00 H new ATOM 0 HH11 ARG A 41 7.725 7.804 -6.689 1.00 0.00 H new ATOM 0 HH12 ARG A 41 7.475 9.539 -6.468 1.00 0.00 H new ATOM 0 HH21 ARG A 41 10.284 10.053 -4.530 1.00 0.00 H new ATOM 0 HH22 ARG A 41 8.857 10.753 -5.302 1.00 0.00 H new ATOM 611 N SER A 42 6.734 1.829 -4.601 1.00 0.00 N ATOM 612 CA SER A 42 5.323 1.460 -4.834 1.00 0.00 C ATOM 613 C SER A 42 4.910 0.040 -4.426 1.00 0.00 C ATOM 614 O SER A 42 5.709 -0.892 -4.410 1.00 0.00 O ATOM 615 CB SER A 42 4.987 1.587 -6.324 1.00 0.00 C ATOM 616 OG SER A 42 5.934 0.897 -7.129 1.00 0.00 O ATOM 0 H SER A 42 7.397 1.109 -4.889 1.00 0.00 H new ATOM 0 HA SER A 42 4.777 2.153 -4.193 1.00 0.00 H new ATOM 0 HB2 SER A 42 3.990 1.188 -6.509 1.00 0.00 H new ATOM 0 HB3 SER A 42 4.966 2.640 -6.606 1.00 0.00 H new ATOM 0 HG SER A 42 5.693 0.994 -8.074 1.00 0.00 H new ATOM 622 N ALA A 43 3.607 -0.124 -4.203 1.00 0.00 N ATOM 623 CA ALA A 43 2.970 -1.343 -3.711 1.00 0.00 C ATOM 624 C ALA A 43 1.789 -1.727 -4.601 1.00 0.00 C ATOM 625 O ALA A 43 1.009 -0.861 -4.993 1.00 0.00 O ATOM 626 CB ALA A 43 2.476 -1.060 -2.280 1.00 0.00 C ATOM 0 H ALA A 43 2.935 0.626 -4.369 1.00 0.00 H new ATOM 0 HA ALA A 43 3.680 -2.170 -3.722 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.993 -1.951 -1.879 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.323 -0.791 -1.649 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.761 -0.237 -2.298 1.00 0.00 H new ATOM 632 N ILE A 44 1.643 -3.022 -4.888 1.00 0.00 N ATOM 633 CA ILE A 44 0.459 -3.628 -5.504 1.00 0.00 C ATOM 634 C ILE A 44 -0.157 -4.497 -4.404 1.00 0.00 C ATOM 635 O ILE A 44 0.513 -5.367 -3.841 1.00 0.00 O ATOM 636 CB ILE A 44 0.824 -4.436 -6.765 1.00 0.00 C ATOM 637 CG1 ILE A 44 1.474 -3.516 -7.826 1.00 0.00 C ATOM 638 CG2 ILE A 44 -0.453 -5.101 -7.320 1.00 0.00 C ATOM 639 CD1 ILE A 44 2.075 -4.275 -9.016 1.00 0.00 C ATOM 0 H ILE A 44 2.375 -3.705 -4.690 1.00 0.00 H new ATOM 0 HA ILE A 44 -0.250 -2.879 -5.858 1.00 0.00 H new ATOM 0 HB ILE A 44 1.548 -5.209 -6.509 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.725 -2.815 -8.194 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.257 -2.925 -7.351 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.206 -5.675 -8.213 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.874 -5.766 -6.566 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -1.183 -4.332 -7.574 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.512 -3.564 -9.718 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.848 -4.956 -8.660 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.292 -4.845 -9.517 1.00 0.00 H new ATOM 651 N VAL A 45 -1.409 -4.211 -4.066 1.00 0.00 N ATOM 652 CA VAL A 45 -2.093 -4.708 -2.868 1.00 0.00 C ATOM 653 C VAL A 45 -3.387 -5.402 -3.281 1.00 0.00 C ATOM 654 O VAL A 45 -4.212 -4.784 -3.948 1.00 0.00 O ATOM 655 CB VAL A 45 -2.419 -3.511 -1.954 1.00 0.00 C ATOM 656 CG1 VAL A 45 -2.982 -4.011 -0.615 1.00 0.00 C ATOM 657 CG2 VAL A 45 -1.204 -2.602 -1.689 1.00 0.00 C ATOM 0 H VAL A 45 -2.000 -3.606 -4.636 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.457 -5.416 -2.338 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.161 -2.911 -2.481 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.210 -3.159 0.025 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.892 -4.584 -0.794 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.244 -4.646 -0.125 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.500 -1.779 -1.039 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.416 -3.180 -1.206 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.835 -2.204 -2.634 1.00 0.00 H new ATOM 667 N VAL A 46 -3.577 -6.659 -2.874 1.00 0.00 N ATOM 668 CA VAL A 46 -4.624 -7.573 -3.362 1.00 0.00 C ATOM 669 C VAL A 46 -5.641 -7.848 -2.245 1.00 0.00 C ATOM 670 O VAL A 46 -5.329 -8.512 -1.263 1.00 0.00 O ATOM 671 CB VAL A 46 -3.968 -8.894 -3.837 1.00 0.00 C ATOM 672 CG1 VAL A 46 -4.986 -9.963 -4.237 1.00 0.00 C ATOM 673 CG2 VAL A 46 -2.984 -8.702 -5.005 1.00 0.00 C ATOM 0 H VAL A 46 -2.983 -7.090 -2.166 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.150 -7.115 -4.200 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.416 -9.235 -2.961 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.461 -10.862 -4.560 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.620 -10.200 -3.382 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.603 -9.590 -5.054 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.561 -9.666 -5.287 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -3.511 -8.273 -5.858 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.182 -8.030 -4.699 1.00 0.00 H new ATOM 683 N TYR A 47 -6.859 -7.325 -2.368 1.00 0.00 N ATOM 684 CA TYR A 47 -7.888 -7.334 -1.318 1.00 0.00 C ATOM 685 C TYR A 47 -9.210 -7.974 -1.771 1.00 0.00 C ATOM 686 O TYR A 47 -9.445 -8.213 -2.951 1.00 0.00 O ATOM 687 CB TYR A 47 -8.100 -5.907 -0.780 1.00 0.00 C ATOM 688 CG TYR A 47 -8.653 -4.931 -1.800 1.00 0.00 C ATOM 689 CD1 TYR A 47 -7.756 -4.271 -2.655 1.00 0.00 C ATOM 690 CD2 TYR A 47 -10.038 -4.697 -1.920 1.00 0.00 C ATOM 691 CE1 TYR A 47 -8.228 -3.366 -3.616 1.00 0.00 C ATOM 692 CE2 TYR A 47 -10.522 -3.823 -2.919 1.00 0.00 C ATOM 693 CZ TYR A 47 -9.612 -3.152 -3.767 1.00 0.00 C ATOM 694 OH TYR A 47 -10.052 -2.322 -4.750 1.00 0.00 O ATOM 0 H TYR A 47 -7.171 -6.868 -3.225 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.523 -7.967 -0.509 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.780 -5.949 0.071 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -7.149 -5.526 -0.409 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.696 -4.462 -2.572 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -10.729 -5.186 -1.249 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -7.529 -2.832 -4.242 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -11.585 -3.668 -3.034 1.00 0.00 H new ATOM 0 HH TYR A 47 -10.204 -2.837 -5.570 1.00 0.00 H new ATOM 704 N ASN A 48 -10.092 -8.263 -0.818 1.00 0.00 N ATOM 705 CA ASN A 48 -11.290 -9.077 -1.038 1.00 0.00 C ATOM 706 C ASN A 48 -12.549 -8.213 -1.247 1.00 0.00 C ATOM 707 O ASN A 48 -13.106 -7.677 -0.288 1.00 0.00 O ATOM 708 CB ASN A 48 -11.419 -10.046 0.149 1.00 0.00 C ATOM 709 CG ASN A 48 -12.607 -10.991 0.016 1.00 0.00 C ATOM 710 OD1 ASN A 48 -12.466 -12.143 -0.358 1.00 0.00 O ATOM 711 ND2 ASN A 48 -13.810 -10.531 0.314 1.00 0.00 N ATOM 0 H ASN A 48 -9.996 -7.935 0.143 1.00 0.00 H new ATOM 0 HA ASN A 48 -11.192 -9.648 -1.961 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -10.503 -10.631 0.235 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -11.519 -9.473 1.071 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -14.624 -11.140 0.231 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -13.924 -9.567 0.627 1.00 0.00 H new ATOM 718 N ALA A 49 -13.030 -8.129 -2.492 1.00 0.00 N ATOM 719 CA ALA A 49 -14.215 -7.372 -2.903 1.00 0.00 C ATOM 720 C ALA A 49 -14.646 -7.794 -4.315 1.00 0.00 C ATOM 721 O ALA A 49 -13.800 -8.065 -5.155 1.00 0.00 O ATOM 722 CB ALA A 49 -13.881 -5.872 -2.878 1.00 0.00 C ATOM 0 H ALA A 49 -12.584 -8.608 -3.274 1.00 0.00 H new ATOM 0 HA ALA A 49 -15.037 -7.575 -2.216 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -14.757 -5.299 -3.183 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -13.590 -5.581 -1.869 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -13.059 -5.671 -3.565 1.00 0.00 H new ATOM 728 N SER A 50 -15.941 -7.757 -4.627 1.00 0.00 N ATOM 729 CA SER A 50 -16.435 -7.975 -5.999 1.00 0.00 C ATOM 730 C SER A 50 -16.468 -6.646 -6.777 1.00 0.00 C ATOM 731 O SER A 50 -17.329 -6.430 -7.624 1.00 0.00 O ATOM 732 CB SER A 50 -17.827 -8.638 -5.986 1.00 0.00 C ATOM 733 OG SER A 50 -17.909 -9.771 -5.134 1.00 0.00 O ATOM 0 H SER A 50 -16.678 -7.577 -3.946 1.00 0.00 H new ATOM 0 HA SER A 50 -15.747 -8.653 -6.505 1.00 0.00 H new ATOM 0 HB2 SER A 50 -18.567 -7.903 -5.671 1.00 0.00 H new ATOM 0 HB3 SER A 50 -18.087 -8.938 -7.001 1.00 0.00 H new ATOM 0 HG SER A 50 -18.815 -10.142 -5.170 1.00 0.00 H new ATOM 739 N SER A 51 -15.583 -5.708 -6.437 1.00 0.00 N ATOM 740 CA SER A 51 -15.596 -4.328 -6.912 1.00 0.00 C ATOM 741 C SER A 51 -14.277 -3.624 -6.529 1.00 0.00 C ATOM 742 O SER A 51 -13.323 -4.277 -6.100 1.00 0.00 O ATOM 743 CB SER A 51 -16.843 -3.590 -6.374 1.00 0.00 C ATOM 744 OG SER A 51 -16.995 -2.300 -6.954 1.00 0.00 O ATOM 0 H SER A 51 -14.810 -5.898 -5.800 1.00 0.00 H new ATOM 0 HA SER A 51 -15.663 -4.314 -8.000 1.00 0.00 H new ATOM 0 HB2 SER A 51 -17.732 -4.186 -6.579 1.00 0.00 H new ATOM 0 HB3 SER A 51 -16.767 -3.493 -5.291 1.00 0.00 H new ATOM 0 HG SER A 51 -17.795 -1.869 -6.588 1.00 0.00 H new ATOM 750 N VAL A 52 -14.225 -2.297 -6.660 1.00 0.00 N ATOM 751 CA VAL A 52 -13.070 -1.442 -6.339 1.00 0.00 C ATOM 752 C VAL A 52 -13.334 -0.568 -5.107 1.00 0.00 C ATOM 753 O VAL A 52 -14.368 0.095 -5.009 1.00 0.00 O ATOM 754 CB VAL A 52 -12.646 -0.564 -7.542 1.00 0.00 C ATOM 755 CG1 VAL A 52 -11.983 -1.434 -8.622 1.00 0.00 C ATOM 756 CG2 VAL A 52 -13.793 0.246 -8.173 1.00 0.00 C ATOM 0 H VAL A 52 -15.020 -1.761 -7.008 1.00 0.00 H new ATOM 0 HA VAL A 52 -12.244 -2.115 -6.107 1.00 0.00 H new ATOM 0 HB VAL A 52 -11.941 0.164 -7.140 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -11.688 -0.807 -9.464 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -11.101 -1.921 -8.206 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -12.689 -2.191 -8.963 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -13.408 0.832 -9.008 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -14.564 -0.435 -8.533 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -14.220 0.915 -7.426 1.00 0.00 H new ATOM 766 N THR A 53 -12.371 -0.543 -4.175 1.00 0.00 N ATOM 767 CA THR A 53 -12.353 0.318 -2.974 1.00 0.00 C ATOM 768 C THR A 53 -10.891 0.586 -2.550 1.00 0.00 C ATOM 769 O THR A 53 -10.435 0.013 -1.565 1.00 0.00 O ATOM 770 CB THR A 53 -13.170 -0.310 -1.824 1.00 0.00 C ATOM 771 OG1 THR A 53 -14.420 -0.757 -2.289 1.00 0.00 O ATOM 772 CG2 THR A 53 -13.449 0.704 -0.712 1.00 0.00 C ATOM 0 H THR A 53 -11.549 -1.144 -4.235 1.00 0.00 H new ATOM 0 HA THR A 53 -12.825 1.270 -3.215 1.00 0.00 H new ATOM 0 HB THR A 53 -12.573 -1.137 -1.440 1.00 0.00 H new ATOM 0 HG1 THR A 53 -14.923 -1.153 -1.547 1.00 0.00 H new ATOM 0 HG21 THR A 53 -14.026 0.226 0.080 1.00 0.00 H new ATOM 0 HG22 THR A 53 -12.505 1.067 -0.305 1.00 0.00 H new ATOM 0 HG23 THR A 53 -14.015 1.542 -1.118 1.00 0.00 H new ATOM 780 N PRO A 54 -10.126 1.415 -3.294 1.00 0.00 N ATOM 781 CA PRO A 54 -8.682 1.573 -3.094 1.00 0.00 C ATOM 782 C PRO A 54 -8.287 2.635 -2.051 1.00 0.00 C ATOM 783 O PRO A 54 -7.193 2.559 -1.499 1.00 0.00 O ATOM 784 CB PRO A 54 -8.158 1.977 -4.477 1.00 0.00 C ATOM 785 CG PRO A 54 -9.300 2.811 -5.054 1.00 0.00 C ATOM 786 CD PRO A 54 -10.535 2.076 -4.531 1.00 0.00 C ATOM 0 HA PRO A 54 -8.260 0.649 -2.699 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -7.235 2.553 -4.405 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -7.943 1.106 -5.096 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -9.264 3.844 -4.708 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -9.274 2.838 -6.143 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.353 2.772 -4.347 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -10.893 1.349 -5.260 1.00 0.00 H new ATOM 794 N GLU A 55 -9.135 3.637 -1.786 1.00 0.00 N ATOM 795 CA GLU A 55 -8.781 4.818 -0.976 1.00 0.00 C ATOM 796 C GLU A 55 -8.480 4.468 0.497 1.00 0.00 C ATOM 797 O GLU A 55 -7.689 5.142 1.151 1.00 0.00 O ATOM 798 CB GLU A 55 -9.909 5.866 -1.115 1.00 0.00 C ATOM 799 CG GLU A 55 -9.422 7.279 -1.490 1.00 0.00 C ATOM 800 CD GLU A 55 -8.918 8.114 -0.314 1.00 0.00 C ATOM 801 OE1 GLU A 55 -9.495 8.015 0.788 1.00 0.00 O ATOM 802 OE2 GLU A 55 -7.977 8.924 -0.497 1.00 0.00 O ATOM 0 H GLU A 55 -10.095 3.654 -2.129 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.849 5.238 -1.355 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -10.614 5.525 -1.873 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -10.455 5.921 -0.173 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.621 7.190 -2.224 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -10.239 7.814 -1.974 1.00 0.00 H new ATOM 809 N SER A 56 -9.028 3.363 1.007 1.00 0.00 N ATOM 810 CA SER A 56 -8.713 2.823 2.335 1.00 0.00 C ATOM 811 C SER A 56 -7.294 2.246 2.431 1.00 0.00 C ATOM 812 O SER A 56 -6.621 2.433 3.448 1.00 0.00 O ATOM 813 CB SER A 56 -9.721 1.714 2.667 1.00 0.00 C ATOM 814 OG SER A 56 -9.867 0.841 1.556 1.00 0.00 O ATOM 0 H SER A 56 -9.716 2.807 0.500 1.00 0.00 H new ATOM 0 HA SER A 56 -8.773 3.649 3.043 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.383 1.153 3.539 1.00 0.00 H new ATOM 0 HB3 SER A 56 -10.685 2.153 2.924 1.00 0.00 H new ATOM 0 HG SER A 56 -10.511 0.136 1.777 1.00 0.00 H new ATOM 820 N LEU A 57 -6.812 1.568 1.382 1.00 0.00 N ATOM 821 CA LEU A 57 -5.449 1.037 1.355 1.00 0.00 C ATOM 822 C LEU A 57 -4.433 2.184 1.308 1.00 0.00 C ATOM 823 O LEU A 57 -3.495 2.166 2.101 1.00 0.00 O ATOM 824 CB LEU A 57 -5.245 0.086 0.168 1.00 0.00 C ATOM 825 CG LEU A 57 -6.124 -1.180 0.071 1.00 0.00 C ATOM 826 CD1 LEU A 57 -5.712 -1.956 -1.181 1.00 0.00 C ATOM 827 CD2 LEU A 57 -5.996 -2.136 1.260 1.00 0.00 C ATOM 0 H LEU A 57 -7.351 1.375 0.538 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.291 0.465 2.269 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.393 0.662 -0.746 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.203 -0.235 0.177 1.00 0.00 H new ATOM 0 HG LEU A 57 -7.156 -0.831 0.048 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.322 -2.855 -1.269 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.859 -1.331 -2.062 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.661 -2.236 -1.106 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.648 -2.996 1.107 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.963 -2.474 1.346 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.286 -1.619 2.175 1.00 0.00 H new ATOM 839 N ARG A 58 -4.653 3.213 0.469 1.00 0.00 N ATOM 840 CA ARG A 58 -3.888 4.463 0.476 1.00 0.00 C ATOM 841 C ARG A 58 -3.752 4.993 1.908 1.00 0.00 C ATOM 842 O ARG A 58 -2.641 5.167 2.404 1.00 0.00 O ATOM 843 CB ARG A 58 -4.604 5.475 -0.436 1.00 0.00 C ATOM 844 CG ARG A 58 -4.036 6.904 -0.374 1.00 0.00 C ATOM 845 CD ARG A 58 -5.140 7.959 -0.211 1.00 0.00 C ATOM 846 NE ARG A 58 -4.595 9.217 0.325 1.00 0.00 N ATOM 847 CZ ARG A 58 -4.892 10.456 -0.025 1.00 0.00 C ATOM 848 NH1 ARG A 58 -5.925 10.739 -0.795 1.00 0.00 N ATOM 849 NH2 ARG A 58 -4.143 11.422 0.453 1.00 0.00 N ATOM 0 H ARG A 58 -5.382 3.194 -0.244 1.00 0.00 H new ATOM 0 HA ARG A 58 -2.880 4.294 0.098 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.549 5.120 -1.465 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.659 5.505 -0.166 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -3.337 6.980 0.459 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -3.471 7.109 -1.284 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.614 8.146 -1.175 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.914 7.580 0.457 1.00 0.00 H new ATOM 0 HE ARG A 58 -3.897 9.120 1.063 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -6.524 9.989 -1.140 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -6.124 11.708 -1.045 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -3.363 11.203 1.072 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -4.341 12.391 0.205 1.00 0.00 H new ATOM 863 N LYS A 59 -4.879 5.174 2.600 1.00 0.00 N ATOM 864 CA LYS A 59 -4.917 5.579 4.007 1.00 0.00 C ATOM 865 C LYS A 59 -4.087 4.686 4.952 1.00 0.00 C ATOM 866 O LYS A 59 -3.403 5.204 5.830 1.00 0.00 O ATOM 867 CB LYS A 59 -6.383 5.636 4.463 1.00 0.00 C ATOM 868 CG LYS A 59 -6.858 7.083 4.598 1.00 0.00 C ATOM 869 CD LYS A 59 -6.931 7.787 3.243 1.00 0.00 C ATOM 870 CE LYS A 59 -7.388 9.237 3.414 1.00 0.00 C ATOM 871 NZ LYS A 59 -8.046 9.731 2.186 1.00 0.00 N ATOM 0 H LYS A 59 -5.805 5.041 2.193 1.00 0.00 H new ATOM 0 HA LYS A 59 -4.449 6.561 4.068 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.012 5.108 3.746 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.491 5.123 5.419 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.841 7.100 5.070 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.180 7.628 5.254 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.954 7.762 2.761 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.623 7.257 2.588 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -8.078 9.308 4.255 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -6.531 9.867 3.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -8.286 10.736 2.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -7.401 9.620 1.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -8.914 9.185 2.014 1.00 0.00 H new ATOM 885 N ALA A 60 -4.118 3.362 4.785 1.00 0.00 N ATOM 886 CA ALA A 60 -3.360 2.421 5.612 1.00 0.00 C ATOM 887 C ALA A 60 -1.843 2.534 5.364 1.00 0.00 C ATOM 888 O ALA A 60 -1.047 2.375 6.286 1.00 0.00 O ATOM 889 CB ALA A 60 -3.912 1.020 5.335 1.00 0.00 C ATOM 0 H ALA A 60 -4.677 2.908 4.063 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.484 2.653 6.670 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.370 0.290 5.936 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.970 0.988 5.594 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.790 0.783 4.278 1.00 0.00 H new ATOM 895 N ILE A 61 -1.447 2.901 4.137 1.00 0.00 N ATOM 896 CA ILE A 61 -0.066 3.265 3.801 1.00 0.00 C ATOM 897 C ILE A 61 0.301 4.578 4.487 1.00 0.00 C ATOM 898 O ILE A 61 1.253 4.596 5.262 1.00 0.00 O ATOM 899 CB ILE A 61 0.164 3.323 2.268 1.00 0.00 C ATOM 900 CG1 ILE A 61 -0.180 2.003 1.570 1.00 0.00 C ATOM 901 CG2 ILE A 61 1.623 3.666 1.951 1.00 0.00 C ATOM 902 CD1 ILE A 61 -0.033 2.004 0.042 1.00 0.00 C ATOM 0 H ILE A 61 -2.084 2.954 3.342 1.00 0.00 H new ATOM 0 HA ILE A 61 0.598 2.485 4.173 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.503 4.099 1.893 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.458 1.219 1.978 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.208 1.738 1.818 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.762 3.701 0.870 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.870 4.637 2.381 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.276 2.904 2.376 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.301 1.023 -0.350 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.693 2.758 -0.387 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.999 2.232 -0.224 1.00 0.00 H new ATOM 914 N GLU A 62 -0.478 5.646 4.288 1.00 0.00 N ATOM 915 CA GLU A 62 -0.267 6.922 4.968 1.00 0.00 C ATOM 916 C GLU A 62 -0.113 6.744 6.486 1.00 0.00 C ATOM 917 O GLU A 62 0.706 7.429 7.084 1.00 0.00 O ATOM 918 CB GLU A 62 -1.418 7.899 4.658 1.00 0.00 C ATOM 919 CG GLU A 62 -1.415 8.356 3.196 1.00 0.00 C ATOM 920 CD GLU A 62 -2.581 9.255 2.797 1.00 0.00 C ATOM 921 OE1 GLU A 62 -3.752 8.848 2.964 1.00 0.00 O ATOM 922 OE2 GLU A 62 -2.334 10.300 2.158 1.00 0.00 O ATOM 0 H GLU A 62 -1.273 5.647 3.649 1.00 0.00 H new ATOM 0 HA GLU A 62 0.665 7.341 4.589 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.370 7.419 4.884 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.338 8.770 5.309 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.483 8.887 2.999 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.421 7.474 2.556 1.00 0.00 H new ATOM 929 N ALA A 63 -0.795 5.772 7.107 1.00 0.00 N ATOM 930 CA ALA A 63 -0.819 5.569 8.562 1.00 0.00 C ATOM 931 C ALA A 63 0.441 4.903 9.144 1.00 0.00 C ATOM 932 O ALA A 63 0.537 4.734 10.357 1.00 0.00 O ATOM 933 CB ALA A 63 -2.091 4.785 8.915 1.00 0.00 C ATOM 0 H ALA A 63 -1.358 5.089 6.600 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.827 6.554 9.030 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.131 4.622 9.992 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.967 5.353 8.601 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.079 3.823 8.403 1.00 0.00 H new ATOM 939 N VAL A 64 1.409 4.574 8.287 1.00 0.00 N ATOM 940 CA VAL A 64 2.691 3.943 8.641 1.00 0.00 C ATOM 941 C VAL A 64 3.822 4.966 8.715 1.00 0.00 C ATOM 942 O VAL A 64 4.796 4.775 9.436 1.00 0.00 O ATOM 943 CB VAL A 64 3.045 2.792 7.672 1.00 0.00 C ATOM 944 CG1 VAL A 64 3.887 3.155 6.460 1.00 0.00 C ATOM 945 CG2 VAL A 64 3.827 1.713 8.427 1.00 0.00 C ATOM 0 H VAL A 64 1.322 4.745 7.285 1.00 0.00 H new ATOM 0 HA VAL A 64 2.571 3.513 9.635 1.00 0.00 H new ATOM 0 HB VAL A 64 2.074 2.468 7.297 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.066 2.262 5.861 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.359 3.896 5.859 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.840 3.568 6.790 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.077 0.901 7.745 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.744 2.143 8.831 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.217 1.326 9.244 1.00 0.00 H new ATOM 955 N SER A 65 3.713 6.070 7.971 1.00 0.00 N ATOM 956 CA SER A 65 4.594 7.227 8.132 1.00 0.00 C ATOM 957 C SER A 65 3.846 8.545 7.817 1.00 0.00 C ATOM 958 O SER A 65 4.170 9.244 6.852 1.00 0.00 O ATOM 959 CB SER A 65 5.935 7.032 7.406 1.00 0.00 C ATOM 960 OG SER A 65 6.258 5.680 7.108 1.00 0.00 O ATOM 0 H SER A 65 3.011 6.186 7.240 1.00 0.00 H new ATOM 0 HA SER A 65 4.878 7.315 9.181 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.915 7.600 6.476 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.730 7.454 8.020 1.00 0.00 H new ATOM 0 HG SER A 65 6.088 5.505 6.159 1.00 0.00 H new ATOM 966 N PRO A 66 2.815 8.882 8.622 1.00 0.00 N ATOM 967 CA PRO A 66 1.915 10.008 8.382 1.00 0.00 C ATOM 968 C PRO A 66 2.631 11.358 8.399 1.00 0.00 C ATOM 969 O PRO A 66 3.589 11.570 9.141 1.00 0.00 O ATOM 970 CB PRO A 66 0.809 9.912 9.443 1.00 0.00 C ATOM 971 CG PRO A 66 1.408 9.021 10.529 1.00 0.00 C ATOM 972 CD PRO A 66 2.284 8.078 9.715 1.00 0.00 C ATOM 0 HA PRO A 66 1.493 9.950 7.379 1.00 0.00 H new ATOM 0 HB2 PRO A 66 0.546 10.895 9.834 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -0.102 9.479 9.030 1.00 0.00 H new ATOM 0 HG2 PRO A 66 1.988 9.594 11.253 1.00 0.00 H new ATOM 0 HG3 PRO A 66 0.640 8.485 11.087 1.00 0.00 H new ATOM 0 HD2 PRO A 66 3.088 7.666 10.325 1.00 0.00 H new ATOM 0 HD3 PRO A 66 1.706 7.235 9.337 1.00 0.00 H new ATOM 980 N GLY A 67 2.155 12.268 7.540 1.00 0.00 N ATOM 981 CA GLY A 67 2.747 13.589 7.293 1.00 0.00 C ATOM 982 C GLY A 67 3.914 13.562 6.299 1.00 0.00 C ATOM 983 O GLY A 67 4.129 14.541 5.592 1.00 0.00 O ATOM 0 H GLY A 67 1.320 12.100 6.979 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.975 14.259 6.916 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.095 14.004 8.239 1.00 0.00 H new ATOM 987 N LEU A 68 4.637 12.440 6.227 1.00 0.00 N ATOM 988 CA LEU A 68 5.794 12.212 5.359 1.00 0.00 C ATOM 989 C LEU A 68 5.385 11.463 4.078 1.00 0.00 C ATOM 990 O LEU A 68 5.770 11.829 2.970 1.00 0.00 O ATOM 991 CB LEU A 68 6.814 11.470 6.248 1.00 0.00 C ATOM 992 CG LEU A 68 8.030 10.829 5.566 1.00 0.00 C ATOM 993 CD1 LEU A 68 8.803 11.769 4.636 1.00 0.00 C ATOM 994 CD2 LEU A 68 8.984 10.342 6.659 1.00 0.00 C ATOM 0 H LEU A 68 4.419 11.626 6.802 1.00 0.00 H new ATOM 0 HA LEU A 68 6.241 13.130 4.978 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.182 12.175 6.994 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.281 10.686 6.786 1.00 0.00 H new ATOM 0 HG LEU A 68 7.650 10.021 4.941 1.00 0.00 H new ATOM 0 HD11 LEU A 68 9.645 11.235 4.197 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.143 12.120 3.843 1.00 0.00 H new ATOM 0 HD13 LEU A 68 9.172 12.622 5.206 1.00 0.00 H new ATOM 0 HD21 LEU A 68 9.859 9.881 6.200 1.00 0.00 H new ATOM 0 HD22 LEU A 68 9.298 11.188 7.271 1.00 0.00 H new ATOM 0 HD23 LEU A 68 8.475 9.610 7.286 1.00 0.00 H new ATOM 1006 N TYR A 69 4.551 10.434 4.215 1.00 0.00 N ATOM 1007 CA TYR A 69 4.096 9.590 3.111 1.00 0.00 C ATOM 1008 C TYR A 69 3.156 10.296 2.116 1.00 0.00 C ATOM 1009 O TYR A 69 1.937 10.346 2.293 1.00 0.00 O ATOM 1010 CB TYR A 69 3.437 8.325 3.685 1.00 0.00 C ATOM 1011 CG TYR A 69 4.334 7.116 3.848 1.00 0.00 C ATOM 1012 CD1 TYR A 69 5.730 7.210 4.008 1.00 0.00 C ATOM 1013 CD2 TYR A 69 3.737 5.851 3.798 1.00 0.00 C ATOM 1014 CE1 TYR A 69 6.500 6.042 4.165 1.00 0.00 C ATOM 1015 CE2 TYR A 69 4.500 4.686 3.862 1.00 0.00 C ATOM 1016 CZ TYR A 69 5.879 4.774 4.102 1.00 0.00 C ATOM 1017 OH TYR A 69 6.553 3.627 4.358 1.00 0.00 O ATOM 0 H TYR A 69 4.164 10.157 5.117 1.00 0.00 H new ATOM 0 HA TYR A 69 4.979 9.332 2.526 1.00 0.00 H new ATOM 0 HB2 TYR A 69 3.015 8.571 4.659 1.00 0.00 H new ATOM 0 HB3 TYR A 69 2.605 8.049 3.037 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.210 8.178 4.010 1.00 0.00 H new ATOM 0 HD2 TYR A 69 2.663 5.776 3.708 1.00 0.00 H new ATOM 0 HE1 TYR A 69 7.564 6.115 4.333 1.00 0.00 H new ATOM 0 HE2 TYR A 69 4.032 3.722 3.728 1.00 0.00 H new ATOM 0 HH TYR A 69 7.496 3.833 4.530 1.00 0.00 H new ATOM 1027 N ARG A 70 3.701 10.739 0.981 1.00 0.00 N ATOM 1028 CA ARG A 70 2.921 11.220 -0.161 1.00 0.00 C ATOM 1029 C ARG A 70 2.364 10.016 -0.933 1.00 0.00 C ATOM 1030 O ARG A 70 2.931 9.601 -1.938 1.00 0.00 O ATOM 1031 CB ARG A 70 3.865 12.076 -1.004 1.00 0.00 C ATOM 1032 CG ARG A 70 3.260 12.968 -2.104 1.00 0.00 C ATOM 1033 CD ARG A 70 2.263 12.354 -3.102 1.00 0.00 C ATOM 1034 NE ARG A 70 1.678 13.391 -3.973 1.00 0.00 N ATOM 1035 CZ ARG A 70 1.771 13.500 -5.298 1.00 0.00 C ATOM 1036 NH1 ARG A 70 2.449 12.670 -6.059 1.00 0.00 N ATOM 1037 NH2 ARG A 70 1.165 14.504 -5.904 1.00 0.00 N ATOM 0 H ARG A 70 4.709 10.774 0.827 1.00 0.00 H new ATOM 0 HA ARG A 70 2.063 11.822 0.138 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.425 12.720 -0.325 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.585 11.408 -1.477 1.00 0.00 H new ATOM 0 HG2 ARG A 70 2.760 13.803 -1.612 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.086 13.385 -2.680 1.00 0.00 H new ATOM 0 HD2 ARG A 70 2.768 11.605 -3.712 1.00 0.00 H new ATOM 0 HD3 ARG A 70 1.470 11.840 -2.559 1.00 0.00 H new ATOM 0 HE ARG A 70 1.135 14.115 -3.503 1.00 0.00 H new ATOM 0 HH11 ARG A 70 2.946 11.884 -5.640 1.00 0.00 H new ATOM 0 HH12 ARG A 70 2.478 12.812 -7.069 1.00 0.00 H new ATOM 0 HH21 ARG A 70 0.634 15.183 -5.359 1.00 0.00 H new ATOM 0 HH22 ARG A 70 1.227 14.600 -6.918 1.00 0.00 H new ATOM 1051 N VAL A 71 1.277 9.429 -0.456 1.00 0.00 N ATOM 1052 CA VAL A 71 0.669 8.239 -1.089 1.00 0.00 C ATOM 1053 C VAL A 71 -0.246 8.634 -2.248 1.00 0.00 C ATOM 1054 O VAL A 71 -1.084 9.526 -2.126 1.00 0.00 O ATOM 1055 CB VAL A 71 -0.093 7.329 -0.111 1.00 0.00 C ATOM 1056 CG1 VAL A 71 -0.484 5.996 -0.773 1.00 0.00 C ATOM 1057 CG2 VAL A 71 0.796 7.024 1.099 1.00 0.00 C ATOM 0 H VAL A 71 0.784 9.752 0.376 1.00 0.00 H new ATOM 0 HA VAL A 71 1.511 7.658 -1.466 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.000 7.852 0.194 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.021 5.377 -0.055 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -1.124 6.191 -1.634 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.416 5.475 -1.101 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.257 6.379 1.793 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.704 6.521 0.766 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.061 7.955 1.600 1.00 0.00 H new ATOM 1067 N SER A 72 -0.076 7.950 -3.377 1.00 0.00 N ATOM 1068 CA SER A 72 -0.688 8.300 -4.658 1.00 0.00 C ATOM 1069 C SER A 72 -1.134 7.017 -5.371 1.00 0.00 C ATOM 1070 O SER A 72 -0.367 6.064 -5.429 1.00 0.00 O ATOM 1071 CB SER A 72 0.333 9.055 -5.539 1.00 0.00 C ATOM 1072 OG SER A 72 1.441 9.588 -4.819 1.00 0.00 O ATOM 0 H SER A 72 0.507 7.114 -3.428 1.00 0.00 H new ATOM 0 HA SER A 72 -1.551 8.943 -4.484 1.00 0.00 H new ATOM 0 HB2 SER A 72 0.705 8.377 -6.307 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.178 9.869 -6.053 1.00 0.00 H new ATOM 0 HG SER A 72 1.977 8.854 -4.453 1.00 0.00 H new ATOM 1078 N ILE A 73 -2.343 6.947 -5.931 1.00 0.00 N ATOM 1079 CA ILE A 73 -2.758 5.808 -6.775 1.00 0.00 C ATOM 1080 C ILE A 73 -2.134 5.991 -8.153 1.00 0.00 C ATOM 1081 O ILE A 73 -2.373 7.015 -8.789 1.00 0.00 O ATOM 1082 CB ILE A 73 -4.301 5.693 -6.828 1.00 0.00 C ATOM 1083 CG1 ILE A 73 -4.868 5.443 -5.411 1.00 0.00 C ATOM 1084 CG2 ILE A 73 -4.739 4.569 -7.789 1.00 0.00 C ATOM 1085 CD1 ILE A 73 -6.400 5.420 -5.315 1.00 0.00 C ATOM 0 H ILE A 73 -3.059 7.665 -5.819 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.405 4.867 -6.352 1.00 0.00 H new ATOM 0 HB ILE A 73 -4.700 6.634 -7.206 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.483 4.491 -5.046 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.490 6.217 -4.744 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.827 4.510 -7.808 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.370 4.784 -8.792 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.330 3.618 -7.448 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.697 5.238 -4.282 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.800 6.379 -5.644 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.793 4.626 -5.951 1.00 0.00 H new ATOM 1097 N THR A 74 -1.341 5.009 -8.599 1.00 0.00 N ATOM 1098 CA THR A 74 -0.725 5.007 -9.926 1.00 0.00 C ATOM 1099 C THR A 74 -1.347 3.924 -10.798 1.00 0.00 C ATOM 1100 O THR A 74 -1.287 2.732 -10.514 1.00 0.00 O ATOM 1101 CB THR A 74 0.805 4.943 -9.819 1.00 0.00 C ATOM 1102 OG1 THR A 74 1.369 4.939 -11.105 1.00 0.00 O ATOM 1103 CG2 THR A 74 1.368 3.722 -9.095 1.00 0.00 C ATOM 0 H THR A 74 -1.109 4.187 -8.042 1.00 0.00 H new ATOM 0 HA THR A 74 -0.935 5.949 -10.433 1.00 0.00 H new ATOM 0 HB THR A 74 1.066 5.821 -9.229 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.346 4.900 -11.034 1.00 0.00 H new ATOM 0 HG21 THR A 74 2.456 3.779 -9.078 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.989 3.698 -8.073 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.061 2.816 -9.617 1.00 0.00 H new ATOM 1111 N SER A 75 -1.983 4.377 -11.865 1.00 0.00 N ATOM 1112 CA SER A 75 -2.462 3.564 -12.982 1.00 0.00 C ATOM 1113 C SER A 75 -2.473 4.422 -14.256 1.00 0.00 C ATOM 1114 O SER A 75 -2.546 5.648 -14.182 1.00 0.00 O ATOM 1115 CB SER A 75 -3.853 2.986 -12.688 1.00 0.00 C ATOM 1116 OG SER A 75 -4.216 2.061 -13.701 1.00 0.00 O ATOM 0 H SER A 75 -2.192 5.368 -11.987 1.00 0.00 H new ATOM 0 HA SER A 75 -1.790 2.718 -13.127 1.00 0.00 H new ATOM 0 HB2 SER A 75 -3.853 2.493 -11.716 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.587 3.790 -12.638 1.00 0.00 H new ATOM 0 HG SER A 75 -5.104 1.695 -13.506 1.00 0.00 H new ATOM 1122 N GLU A 76 -2.429 3.796 -15.431 1.00 0.00 N ATOM 1123 CA GLU A 76 -2.207 4.433 -16.739 1.00 0.00 C ATOM 1124 C GLU A 76 -3.457 5.144 -17.291 1.00 0.00 C ATOM 1125 O GLU A 76 -3.875 4.943 -18.423 1.00 0.00 O ATOM 1126 CB GLU A 76 -1.627 3.355 -17.660 1.00 0.00 C ATOM 1127 CG GLU A 76 -0.901 3.877 -18.908 1.00 0.00 C ATOM 1128 CD GLU A 76 0.027 2.813 -19.505 1.00 0.00 C ATOM 1129 OE1 GLU A 76 -0.113 1.626 -19.131 1.00 0.00 O ATOM 1130 OE2 GLU A 76 0.912 3.204 -20.295 1.00 0.00 O ATOM 0 H GLU A 76 -2.552 2.786 -15.506 1.00 0.00 H new ATOM 0 HA GLU A 76 -1.496 5.255 -16.653 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.931 2.745 -17.084 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -2.437 2.699 -17.979 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -1.634 4.183 -19.655 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.321 4.763 -18.649 1.00 0.00 H new ATOM 1137 N VAL A 77 -4.085 5.961 -16.447 1.00 0.00 N ATOM 1138 CA VAL A 77 -5.355 6.664 -16.733 1.00 0.00 C ATOM 1139 C VAL A 77 -5.152 8.107 -17.225 1.00 0.00 C ATOM 1140 O VAL A 77 -6.081 8.723 -17.739 1.00 0.00 O ATOM 1141 CB VAL A 77 -6.304 6.649 -15.512 1.00 0.00 C ATOM 1142 CG1 VAL A 77 -6.614 5.209 -15.059 1.00 0.00 C ATOM 1143 CG2 VAL A 77 -5.764 7.450 -14.314 1.00 0.00 C ATOM 0 H VAL A 77 -3.722 6.164 -15.516 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.818 6.107 -17.548 1.00 0.00 H new ATOM 0 HB VAL A 77 -7.219 7.134 -15.851 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -7.283 5.234 -14.199 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.091 4.666 -15.875 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.687 4.707 -14.782 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -6.477 7.399 -13.491 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.811 7.029 -13.995 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.621 8.490 -14.607 1.00 0.00 H new TER 1153 VAL A 77