USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 447 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 22 SER OG : rot -150:sc= 1.04 USER MOD Set 1.2: A 43 SER OG : rot 153:sc= 1.3 USER MOD Set 2.1: A 4 THR OG1 : rot -145:sc= 0.887 USER MOD Set 2.2: A 39 GLN : amide:sc= 0.856 K(o=1.7,f=-0.58) USER MOD Single : A 1 SER N :NH3+ -121:sc= 0.564 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.234 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.0265 X(o=-0.027,f=-0.45) USER MOD Single : A 9 THR OG1 : rot 90:sc= -0.0593 USER MOD Single : A 11 SER OG : rot 82:sc= 0.0589 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.075) USER MOD Single : A 23 MET CE :methyl -149:sc= -0.473 (180deg=-1.7!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0.118 USER MOD Single : A 28 SER OG : rot 180:sc= 0.0333 USER MOD Single : A 38 SER OG : rot 76:sc= 1.18 USER MOD Single : A 45 LYS NZ :NH3+ 177:sc= -0.676! (180deg=-0.89!) USER MOD Single : A 48 LYS NZ :NH3+ -153:sc= 1.26 (180deg=0.94) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0666 USER MOD Single : A 53 ASN : amide:sc= 0.186 K(o=0.19,f=-7.1!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.111 USER MOD Single : A 56 ASN : amide:sc= -3.83! C(o=-3.8!,f=-3.8!) USER MOD Single : A 57 SER OG : rot 180:sc= 0.0905 USER MOD Single : A 62 ASN : amide:sc= -0.0472 K(o=-0.047,f=-3.2!) USER MOD Single : A 65 ASN : amide:sc= -1.91 X(o=-1.9,f=-2.1) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -2.706 15.275 -3.883 1.00 0.00 N ATOM 2 CA SER A 1 -2.956 14.387 -5.036 1.00 0.00 C ATOM 3 C SER A 1 -1.895 13.298 -5.109 1.00 0.00 C ATOM 4 O SER A 1 -2.209 12.112 -5.205 1.00 0.00 O ATOM 5 CB SER A 1 -2.962 15.212 -6.322 1.00 0.00 C ATOM 6 OG SER A 1 -2.683 16.572 -6.040 1.00 0.00 O ATOM 0 H1 SER A 1 -3.530 15.260 -3.249 1.00 0.00 H new ATOM 0 H2 SER A 1 -1.866 14.945 -3.367 1.00 0.00 H new ATOM 0 H3 SER A 1 -2.546 16.246 -4.221 1.00 0.00 H new ATOM 0 HA SER A 1 -3.927 13.907 -4.913 1.00 0.00 H new ATOM 0 HB2 SER A 1 -2.220 14.819 -7.017 1.00 0.00 H new ATOM 0 HB3 SER A 1 -3.933 15.127 -6.811 1.00 0.00 H new ATOM 0 HG SER A 1 -2.689 17.087 -6.874 1.00 0.00 H new ATOM 14 N ALA A 2 -0.637 13.706 -5.051 1.00 0.00 N ATOM 15 CA ALA A 2 0.476 12.775 -5.088 1.00 0.00 C ATOM 16 C ALA A 2 1.406 13.034 -3.914 1.00 0.00 C ATOM 17 O ALA A 2 1.627 14.185 -3.534 1.00 0.00 O ATOM 18 CB ALA A 2 1.233 12.891 -6.403 1.00 0.00 C ATOM 0 H ALA A 2 -0.361 14.685 -4.977 1.00 0.00 H new ATOM 0 HA ALA A 2 0.085 11.760 -5.012 1.00 0.00 H new ATOM 0 HB1 ALA A 2 2.063 12.184 -6.409 1.00 0.00 H new ATOM 0 HB2 ALA A 2 0.560 12.668 -7.231 1.00 0.00 H new ATOM 0 HB3 ALA A 2 1.619 13.904 -6.512 1.00 0.00 H new ATOM 24 N THR A 3 1.933 11.972 -3.331 1.00 0.00 N ATOM 25 CA THR A 3 2.837 12.101 -2.201 1.00 0.00 C ATOM 26 C THR A 3 4.124 11.329 -2.441 1.00 0.00 C ATOM 27 O THR A 3 4.102 10.183 -2.891 1.00 0.00 O ATOM 28 CB THR A 3 2.186 11.604 -0.901 1.00 0.00 C ATOM 29 OG1 THR A 3 0.792 11.352 -1.124 1.00 0.00 O ATOM 30 CG2 THR A 3 2.351 12.628 0.211 1.00 0.00 C ATOM 0 H THR A 3 1.751 11.011 -3.621 1.00 0.00 H new ATOM 0 HA THR A 3 3.066 13.162 -2.098 1.00 0.00 H new ATOM 0 HB THR A 3 2.680 10.681 -0.597 1.00 0.00 H new ATOM 0 HG1 THR A 3 0.380 11.034 -0.294 1.00 0.00 H new ATOM 0 HG21 THR A 3 1.882 12.255 1.122 1.00 0.00 H new ATOM 0 HG22 THR A 3 3.412 12.800 0.393 1.00 0.00 H new ATOM 0 HG23 THR A 3 1.877 13.564 -0.083 1.00 0.00 H new ATOM 38 N THR A 4 5.238 11.966 -2.143 1.00 0.00 N ATOM 39 CA THR A 4 6.538 11.346 -2.294 1.00 0.00 C ATOM 40 C THR A 4 6.924 10.617 -1.013 1.00 0.00 C ATOM 41 O THR A 4 7.189 11.241 0.016 1.00 0.00 O ATOM 42 CB THR A 4 7.612 12.394 -2.640 1.00 0.00 C ATOM 43 OG1 THR A 4 6.996 13.535 -3.254 1.00 0.00 O ATOM 44 CG2 THR A 4 8.658 11.810 -3.575 1.00 0.00 C ATOM 0 H THR A 4 5.268 12.923 -1.791 1.00 0.00 H new ATOM 0 HA THR A 4 6.478 10.629 -3.113 1.00 0.00 H new ATOM 0 HB THR A 4 8.106 12.698 -1.717 1.00 0.00 H new ATOM 0 HG1 THR A 4 7.597 13.905 -3.934 1.00 0.00 H new ATOM 0 HG21 THR A 4 9.405 12.569 -3.805 1.00 0.00 H new ATOM 0 HG22 THR A 4 9.141 10.959 -3.095 1.00 0.00 H new ATOM 0 HG23 THR A 4 8.179 11.482 -4.497 1.00 0.00 H new ATOM 52 N ILE A 5 6.924 9.296 -1.074 1.00 0.00 N ATOM 53 CA ILE A 5 7.263 8.479 0.078 1.00 0.00 C ATOM 54 C ILE A 5 8.749 8.140 0.071 1.00 0.00 C ATOM 55 O ILE A 5 9.362 8.004 -0.992 1.00 0.00 O ATOM 56 CB ILE A 5 6.415 7.180 0.131 1.00 0.00 C ATOM 57 CG1 ILE A 5 7.009 6.088 -0.764 1.00 0.00 C ATOM 58 CG2 ILE A 5 4.977 7.465 -0.275 1.00 0.00 C ATOM 59 CD1 ILE A 5 7.020 4.723 -0.113 1.00 0.00 C ATOM 0 H ILE A 5 6.692 8.765 -1.913 1.00 0.00 H new ATOM 0 HA ILE A 5 7.035 9.060 0.971 1.00 0.00 H new ATOM 0 HB ILE A 5 6.428 6.818 1.159 1.00 0.00 H new ATOM 0 HG12 ILE A 5 6.438 6.037 -1.691 1.00 0.00 H new ATOM 0 HG13 ILE A 5 8.029 6.363 -1.033 1.00 0.00 H new ATOM 0 HG21 ILE A 5 4.397 6.543 -0.232 1.00 0.00 H new ATOM 0 HG22 ILE A 5 4.545 8.198 0.407 1.00 0.00 H new ATOM 0 HG23 ILE A 5 4.957 7.859 -1.291 1.00 0.00 H new ATOM 0 HD11 ILE A 5 7.453 3.996 -0.800 1.00 0.00 H new ATOM 0 HD12 ILE A 5 7.615 4.760 0.799 1.00 0.00 H new ATOM 0 HD13 ILE A 5 5.999 4.428 0.131 1.00 0.00 H new ATOM 71 N GLY A 6 9.327 8.011 1.254 1.00 0.00 N ATOM 72 CA GLY A 6 10.743 7.747 1.358 1.00 0.00 C ATOM 73 C GLY A 6 11.037 6.410 2.009 1.00 0.00 C ATOM 74 O GLY A 6 10.284 5.452 1.832 1.00 0.00 O ATOM 0 H GLY A 6 8.838 8.085 2.146 1.00 0.00 H new ATOM 0 HA2 GLY A 6 11.188 7.769 0.363 1.00 0.00 H new ATOM 0 HA3 GLY A 6 11.216 8.541 1.936 1.00 0.00 H new ATOM 78 N PRO A 7 12.137 6.318 2.769 1.00 0.00 N ATOM 79 CA PRO A 7 12.536 5.078 3.438 1.00 0.00 C ATOM 80 C PRO A 7 11.777 4.832 4.742 1.00 0.00 C ATOM 81 O PRO A 7 11.631 3.692 5.183 1.00 0.00 O ATOM 82 CB PRO A 7 14.020 5.315 3.721 1.00 0.00 C ATOM 83 CG PRO A 7 14.134 6.789 3.913 1.00 0.00 C ATOM 84 CD PRO A 7 13.094 7.416 3.023 1.00 0.00 C ATOM 0 HA PRO A 7 12.325 4.198 2.830 1.00 0.00 H new ATOM 0 HB2 PRO A 7 14.346 4.773 4.609 1.00 0.00 H new ATOM 0 HB3 PRO A 7 14.641 4.974 2.893 1.00 0.00 H new ATOM 0 HG2 PRO A 7 13.966 7.059 4.956 1.00 0.00 H new ATOM 0 HG3 PRO A 7 15.132 7.139 3.650 1.00 0.00 H new ATOM 0 HD2 PRO A 7 12.610 8.263 3.509 1.00 0.00 H new ATOM 0 HD3 PRO A 7 13.532 7.787 2.096 1.00 0.00 H new ATOM 92 N ASN A 8 11.279 5.903 5.345 1.00 0.00 N ATOM 93 CA ASN A 8 10.629 5.806 6.646 1.00 0.00 C ATOM 94 C ASN A 8 9.237 6.415 6.614 1.00 0.00 C ATOM 95 O ASN A 8 8.836 7.134 7.529 1.00 0.00 O ATOM 96 CB ASN A 8 11.476 6.479 7.736 1.00 0.00 C ATOM 97 CG ASN A 8 12.062 7.815 7.307 1.00 0.00 C ATOM 98 OD1 ASN A 8 11.343 8.727 6.895 1.00 0.00 O ATOM 99 ND2 ASN A 8 13.375 7.939 7.405 1.00 0.00 N ATOM 0 H ASN A 8 11.312 6.846 4.957 1.00 0.00 H new ATOM 0 HA ASN A 8 10.534 4.747 6.884 1.00 0.00 H new ATOM 0 HB2 ASN A 8 10.861 6.629 8.623 1.00 0.00 H new ATOM 0 HB3 ASN A 8 12.288 5.809 8.020 1.00 0.00 H new ATOM 0 HD21 ASN A 8 13.826 8.813 7.135 1.00 0.00 H new ATOM 0 HD22 ASN A 8 13.936 7.161 7.751 1.00 0.00 H new ATOM 106 N THR A 9 8.491 6.114 5.562 1.00 0.00 N ATOM 107 CA THR A 9 7.117 6.581 5.442 1.00 0.00 C ATOM 108 C THR A 9 6.173 5.714 6.276 1.00 0.00 C ATOM 109 O THR A 9 4.960 5.912 6.274 1.00 0.00 O ATOM 110 CB THR A 9 6.659 6.571 3.975 1.00 0.00 C ATOM 111 OG1 THR A 9 7.776 6.279 3.123 1.00 0.00 O ATOM 112 CG2 THR A 9 6.053 7.912 3.592 1.00 0.00 C ATOM 0 H THR A 9 8.814 5.548 4.778 1.00 0.00 H new ATOM 0 HA THR A 9 7.085 7.604 5.816 1.00 0.00 H new ATOM 0 HB THR A 9 5.897 5.801 3.853 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.845 5.310 2.995 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.735 7.883 2.550 1.00 0.00 H new ATOM 0 HG22 THR A 9 5.192 8.117 4.228 1.00 0.00 H new ATOM 0 HG23 THR A 9 6.797 8.698 3.723 1.00 0.00 H new ATOM 120 N CYS A 10 6.748 4.756 6.984 1.00 0.00 N ATOM 121 CA CYS A 10 5.989 3.876 7.851 1.00 0.00 C ATOM 122 C CYS A 10 6.782 3.594 9.118 1.00 0.00 C ATOM 123 O CYS A 10 7.342 2.512 9.290 1.00 0.00 O ATOM 124 CB CYS A 10 5.658 2.568 7.132 1.00 0.00 C ATOM 125 SG CYS A 10 4.150 1.750 7.741 1.00 0.00 S ATOM 0 H CYS A 10 7.751 4.568 6.973 1.00 0.00 H new ATOM 0 HA CYS A 10 5.053 4.367 8.117 1.00 0.00 H new ATOM 0 HB2 CYS A 10 5.545 2.769 6.067 1.00 0.00 H new ATOM 0 HB3 CYS A 10 6.499 1.883 7.239 1.00 0.00 H new ATOM 130 N SER A 11 6.844 4.582 9.995 1.00 0.00 N ATOM 131 CA SER A 11 7.583 4.454 11.243 1.00 0.00 C ATOM 132 C SER A 11 6.746 3.743 12.306 1.00 0.00 C ATOM 133 O SER A 11 6.590 4.234 13.425 1.00 0.00 O ATOM 134 CB SER A 11 8.004 5.840 11.736 1.00 0.00 C ATOM 135 OG SER A 11 7.655 6.841 10.791 1.00 0.00 O ATOM 0 H SER A 11 6.390 5.486 9.866 1.00 0.00 H new ATOM 0 HA SER A 11 8.473 3.851 11.060 1.00 0.00 H new ATOM 0 HB2 SER A 11 7.523 6.052 12.691 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.080 5.857 11.910 1.00 0.00 H new ATOM 0 HG SER A 11 6.712 7.082 10.903 1.00 0.00 H new ATOM 141 N ILE A 12 6.205 2.587 11.947 1.00 0.00 N ATOM 142 CA ILE A 12 5.381 1.807 12.857 1.00 0.00 C ATOM 143 C ILE A 12 5.780 0.337 12.805 1.00 0.00 C ATOM 144 O ILE A 12 5.349 -0.399 11.915 1.00 0.00 O ATOM 145 CB ILE A 12 3.874 1.943 12.535 1.00 0.00 C ATOM 146 CG1 ILE A 12 3.443 3.411 12.586 1.00 0.00 C ATOM 147 CG2 ILE A 12 3.041 1.121 13.507 1.00 0.00 C ATOM 148 CD1 ILE A 12 2.590 3.835 11.413 1.00 0.00 C ATOM 0 H ILE A 12 6.324 2.167 11.025 1.00 0.00 H new ATOM 0 HA ILE A 12 5.549 2.200 13.860 1.00 0.00 H new ATOM 0 HB ILE A 12 3.708 1.564 11.527 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.889 3.586 13.508 1.00 0.00 H new ATOM 0 HG13 ILE A 12 4.332 4.040 12.624 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.984 1.230 13.263 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.324 0.071 13.431 1.00 0.00 H new ATOM 0 HG23 ILE A 12 3.217 1.472 14.524 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.323 4.887 11.518 1.00 0.00 H new ATOM 0 HD12 ILE A 12 3.148 3.693 10.487 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.683 3.232 11.386 1.00 0.00 H new ATOM 160 N ASP A 13 6.631 -0.067 13.745 1.00 0.00 N ATOM 161 CA ASP A 13 7.032 -1.467 13.896 1.00 0.00 C ATOM 162 C ASP A 13 7.652 -2.005 12.607 1.00 0.00 C ATOM 163 O ASP A 13 8.532 -1.369 12.017 1.00 0.00 O ATOM 164 CB ASP A 13 5.824 -2.320 14.303 1.00 0.00 C ATOM 165 CG ASP A 13 6.183 -3.408 15.292 1.00 0.00 C ATOM 166 OD1 ASP A 13 6.766 -3.093 16.348 1.00 0.00 O ATOM 167 OD2 ASP A 13 5.863 -4.584 15.023 1.00 0.00 O ATOM 0 H ASP A 13 7.062 0.563 14.422 1.00 0.00 H new ATOM 0 HA ASP A 13 7.787 -1.522 14.680 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.060 -1.676 14.739 1.00 0.00 H new ATOM 0 HB3 ASP A 13 5.388 -2.773 13.413 1.00 0.00 H new ATOM 172 N ASP A 14 7.195 -3.171 12.168 1.00 0.00 N ATOM 173 CA ASP A 14 7.665 -3.758 10.920 1.00 0.00 C ATOM 174 C ASP A 14 6.556 -3.709 9.874 1.00 0.00 C ATOM 175 O ASP A 14 6.143 -4.733 9.319 1.00 0.00 O ATOM 176 CB ASP A 14 8.129 -5.202 11.134 1.00 0.00 C ATOM 177 CG ASP A 14 8.855 -5.775 9.927 1.00 0.00 C ATOM 178 OD1 ASP A 14 9.565 -5.018 9.234 1.00 0.00 O ATOM 179 OD2 ASP A 14 8.721 -6.991 9.667 1.00 0.00 O ATOM 0 H ASP A 14 6.498 -3.730 12.659 1.00 0.00 H new ATOM 0 HA ASP A 14 8.517 -3.178 10.566 1.00 0.00 H new ATOM 0 HB2 ASP A 14 8.788 -5.242 12.001 1.00 0.00 H new ATOM 0 HB3 ASP A 14 7.265 -5.826 11.362 1.00 0.00 H new ATOM 184 N TYR A 15 6.045 -2.511 9.641 1.00 0.00 N ATOM 185 CA TYR A 15 5.041 -2.296 8.616 1.00 0.00 C ATOM 186 C TYR A 15 5.673 -1.599 7.420 1.00 0.00 C ATOM 187 O TYR A 15 6.734 -0.980 7.543 1.00 0.00 O ATOM 188 CB TYR A 15 3.873 -1.474 9.169 1.00 0.00 C ATOM 189 CG TYR A 15 2.879 -2.296 9.957 1.00 0.00 C ATOM 190 CD1 TYR A 15 3.122 -2.630 11.282 1.00 0.00 C ATOM 191 CD2 TYR A 15 1.700 -2.740 9.375 1.00 0.00 C ATOM 192 CE1 TYR A 15 2.216 -3.383 12.005 1.00 0.00 C ATOM 193 CE2 TYR A 15 0.788 -3.490 10.090 1.00 0.00 C ATOM 194 CZ TYR A 15 1.052 -3.812 11.404 1.00 0.00 C ATOM 195 OH TYR A 15 0.150 -4.566 12.119 1.00 0.00 O ATOM 0 H TYR A 15 6.312 -1.669 10.152 1.00 0.00 H new ATOM 0 HA TYR A 15 4.648 -3.261 8.295 1.00 0.00 H new ATOM 0 HB2 TYR A 15 4.266 -0.683 9.808 1.00 0.00 H new ATOM 0 HB3 TYR A 15 3.356 -0.989 8.341 1.00 0.00 H new ATOM 0 HD1 TYR A 15 4.033 -2.296 11.756 1.00 0.00 H new ATOM 0 HD2 TYR A 15 1.492 -2.494 8.344 1.00 0.00 H new ATOM 0 HE1 TYR A 15 2.419 -3.634 13.036 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -0.127 -3.823 9.623 1.00 0.00 H new ATOM 0 HH TYR A 15 -0.617 -4.785 11.550 1.00 0.00 H new ATOM 205 N LYS A 16 5.036 -1.704 6.266 1.00 0.00 N ATOM 206 CA LYS A 16 5.607 -1.171 5.038 1.00 0.00 C ATOM 207 C LYS A 16 4.759 -0.025 4.499 1.00 0.00 C ATOM 208 O LYS A 16 3.548 0.017 4.718 1.00 0.00 O ATOM 209 CB LYS A 16 5.725 -2.283 3.989 1.00 0.00 C ATOM 210 CG LYS A 16 6.555 -3.475 4.447 1.00 0.00 C ATOM 211 CD LYS A 16 5.685 -4.694 4.717 1.00 0.00 C ATOM 212 CE LYS A 16 6.061 -5.372 6.026 1.00 0.00 C ATOM 213 NZ LYS A 16 7.140 -6.378 5.843 1.00 0.00 N ATOM 0 H LYS A 16 4.126 -2.152 6.152 1.00 0.00 H new ATOM 0 HA LYS A 16 6.602 -0.784 5.259 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.725 -2.628 3.725 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.169 -1.870 3.083 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.295 -3.718 3.685 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.103 -3.211 5.351 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.638 -4.394 4.750 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.788 -5.404 3.896 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.386 -4.619 6.744 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.181 -5.857 6.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 7.365 -6.816 6.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.822 -7.111 5.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.989 -5.912 5.464 1.00 0.00 H new ATOM 227 N PRO A 17 5.390 0.927 3.793 1.00 0.00 N ATOM 228 CA PRO A 17 4.691 2.050 3.187 1.00 0.00 C ATOM 229 C PRO A 17 4.007 1.632 1.896 1.00 0.00 C ATOM 230 O PRO A 17 4.661 1.329 0.896 1.00 0.00 O ATOM 231 CB PRO A 17 5.802 3.074 2.901 1.00 0.00 C ATOM 232 CG PRO A 17 7.071 2.471 3.420 1.00 0.00 C ATOM 233 CD PRO A 17 6.830 0.994 3.532 1.00 0.00 C ATOM 0 HA PRO A 17 3.907 2.447 3.832 1.00 0.00 H new ATOM 0 HB2 PRO A 17 5.877 3.279 1.833 1.00 0.00 H new ATOM 0 HB3 PRO A 17 5.592 4.023 3.394 1.00 0.00 H new ATOM 0 HG2 PRO A 17 7.902 2.678 2.746 1.00 0.00 H new ATOM 0 HG3 PRO A 17 7.333 2.895 4.389 1.00 0.00 H new ATOM 0 HD2 PRO A 17 7.101 0.468 2.617 1.00 0.00 H new ATOM 0 HD3 PRO A 17 7.410 0.548 4.340 1.00 0.00 H new ATOM 241 N TYR A 18 2.692 1.603 1.928 1.00 0.00 N ATOM 242 CA TYR A 18 1.917 1.135 0.800 1.00 0.00 C ATOM 243 C TYR A 18 1.109 2.275 0.195 1.00 0.00 C ATOM 244 O TYR A 18 0.537 3.092 0.911 1.00 0.00 O ATOM 245 CB TYR A 18 0.991 0.006 1.249 1.00 0.00 C ATOM 246 CG TYR A 18 1.644 -1.356 1.224 1.00 0.00 C ATOM 247 CD1 TYR A 18 1.810 -2.047 0.030 1.00 0.00 C ATOM 248 CD2 TYR A 18 2.090 -1.950 2.393 1.00 0.00 C ATOM 249 CE1 TYR A 18 2.407 -3.294 0.006 1.00 0.00 C ATOM 250 CE2 TYR A 18 2.688 -3.195 2.378 1.00 0.00 C ATOM 251 CZ TYR A 18 2.842 -3.865 1.182 1.00 0.00 C ATOM 252 OH TYR A 18 3.438 -5.107 1.163 1.00 0.00 O ATOM 0 H TYR A 18 2.135 1.900 2.729 1.00 0.00 H new ATOM 0 HA TYR A 18 2.596 0.758 0.035 1.00 0.00 H new ATOM 0 HB2 TYR A 18 0.642 0.214 2.260 1.00 0.00 H new ATOM 0 HB3 TYR A 18 0.112 -0.010 0.605 1.00 0.00 H new ATOM 0 HD1 TYR A 18 1.468 -1.603 -0.893 1.00 0.00 H new ATOM 0 HD2 TYR A 18 1.968 -1.431 3.332 1.00 0.00 H new ATOM 0 HE1 TYR A 18 2.532 -3.818 -0.930 1.00 0.00 H new ATOM 0 HE2 TYR A 18 3.033 -3.642 3.298 1.00 0.00 H new ATOM 0 HH TYR A 18 3.687 -5.364 2.075 1.00 0.00 H new ATOM 262 N CYS A 19 1.083 2.336 -1.121 1.00 0.00 N ATOM 263 CA CYS A 19 0.318 3.356 -1.817 1.00 0.00 C ATOM 264 C CYS A 19 -0.956 2.739 -2.382 1.00 0.00 C ATOM 265 O CYS A 19 -0.994 2.294 -3.533 1.00 0.00 O ATOM 266 CB CYS A 19 1.167 3.985 -2.924 1.00 0.00 C ATOM 267 SG CYS A 19 2.905 4.272 -2.444 1.00 0.00 S ATOM 0 H CYS A 19 1.583 1.691 -1.733 1.00 0.00 H new ATOM 0 HA CYS A 19 0.039 4.146 -1.119 1.00 0.00 H new ATOM 0 HB2 CYS A 19 1.144 3.337 -3.800 1.00 0.00 H new ATOM 0 HB3 CYS A 19 0.719 4.934 -3.218 1.00 0.00 H new ATOM 272 N CYS A 20 -1.994 2.699 -1.557 1.00 0.00 N ATOM 273 CA CYS A 20 -3.218 1.988 -1.899 1.00 0.00 C ATOM 274 C CYS A 20 -4.269 2.915 -2.488 1.00 0.00 C ATOM 275 O CYS A 20 -4.505 4.015 -1.981 1.00 0.00 O ATOM 276 CB CYS A 20 -3.784 1.290 -0.660 1.00 0.00 C ATOM 277 SG CYS A 20 -2.515 0.533 0.401 1.00 0.00 S ATOM 0 H CYS A 20 -2.012 3.152 -0.643 1.00 0.00 H new ATOM 0 HA CYS A 20 -2.963 1.247 -2.657 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -4.350 2.014 -0.074 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -4.486 0.519 -0.978 1.00 0.00 H new ATOM 282 N GLN A 21 -4.896 2.460 -3.561 1.00 0.00 N ATOM 283 CA GLN A 21 -6.020 3.163 -4.147 1.00 0.00 C ATOM 284 C GLN A 21 -7.242 2.965 -3.264 1.00 0.00 C ATOM 285 O GLN A 21 -7.771 1.860 -3.161 1.00 0.00 O ATOM 286 CB GLN A 21 -6.309 2.642 -5.556 1.00 0.00 C ATOM 287 CG GLN A 21 -5.266 3.041 -6.582 1.00 0.00 C ATOM 288 CD GLN A 21 -5.664 4.281 -7.356 1.00 0.00 C ATOM 289 OE1 GLN A 21 -5.409 5.406 -6.924 1.00 0.00 O ATOM 290 NE2 GLN A 21 -6.300 4.091 -8.501 1.00 0.00 N ATOM 0 H GLN A 21 -4.641 1.599 -4.045 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.779 4.224 -4.218 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -6.377 1.555 -5.524 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -7.282 3.013 -5.878 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -4.315 3.219 -6.080 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -5.110 2.216 -7.277 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -6.493 3.144 -8.826 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -6.597 4.892 -9.058 1.00 0.00 H new ATOM 299 N SER A 22 -7.666 4.027 -2.608 1.00 0.00 N ATOM 300 CA SER A 22 -8.804 3.960 -1.713 1.00 0.00 C ATOM 301 C SER A 22 -10.076 4.352 -2.450 1.00 0.00 C ATOM 302 O SER A 22 -10.433 5.530 -2.524 1.00 0.00 O ATOM 303 CB SER A 22 -8.564 4.869 -0.511 1.00 0.00 C ATOM 304 OG SER A 22 -7.179 4.928 -0.203 1.00 0.00 O ATOM 0 H SER A 22 -7.238 4.950 -2.679 1.00 0.00 H new ATOM 0 HA SER A 22 -8.925 2.937 -1.356 1.00 0.00 H new ATOM 0 HB2 SER A 22 -8.939 5.870 -0.724 1.00 0.00 H new ATOM 0 HB3 SER A 22 -9.119 4.497 0.350 1.00 0.00 H new ATOM 0 HG SER A 22 -7.064 5.078 0.759 1.00 0.00 H new ATOM 310 N MET A 23 -10.742 3.356 -3.013 1.00 0.00 N ATOM 311 CA MET A 23 -11.958 3.583 -3.778 1.00 0.00 C ATOM 312 C MET A 23 -13.166 3.709 -2.855 1.00 0.00 C ATOM 313 O MET A 23 -13.170 3.182 -1.740 1.00 0.00 O ATOM 314 CB MET A 23 -12.177 2.450 -4.787 1.00 0.00 C ATOM 315 CG MET A 23 -12.103 1.058 -4.180 1.00 0.00 C ATOM 316 SD MET A 23 -10.438 0.361 -4.225 1.00 0.00 S ATOM 317 CE MET A 23 -10.091 0.415 -5.982 1.00 0.00 C ATOM 0 H MET A 23 -10.459 2.378 -2.954 1.00 0.00 H new ATOM 0 HA MET A 23 -11.844 4.520 -4.323 1.00 0.00 H new ATOM 0 HB2 MET A 23 -13.152 2.579 -5.257 1.00 0.00 H new ATOM 0 HB3 MET A 23 -11.430 2.531 -5.577 1.00 0.00 H new ATOM 0 HG2 MET A 23 -12.447 1.099 -3.146 1.00 0.00 H new ATOM 0 HG3 MET A 23 -12.783 0.396 -4.716 1.00 0.00 H new ATOM 0 HE1 MET A 23 -9.431 -0.411 -6.248 1.00 0.00 H new ATOM 0 HE2 MET A 23 -11.023 0.328 -6.540 1.00 0.00 H new ATOM 0 HE3 MET A 23 -9.607 1.360 -6.228 1.00 0.00 H new ATOM 327 N SER A 24 -14.179 4.422 -3.323 1.00 0.00 N ATOM 328 CA SER A 24 -15.401 4.618 -2.562 1.00 0.00 C ATOM 329 C SER A 24 -16.384 3.478 -2.817 1.00 0.00 C ATOM 330 O SER A 24 -16.490 2.973 -3.936 1.00 0.00 O ATOM 331 CB SER A 24 -16.035 5.961 -2.936 1.00 0.00 C ATOM 332 OG SER A 24 -15.060 6.993 -2.941 1.00 0.00 O ATOM 0 H SER A 24 -14.177 4.878 -4.235 1.00 0.00 H new ATOM 0 HA SER A 24 -15.155 4.623 -1.500 1.00 0.00 H new ATOM 0 HB2 SER A 24 -16.499 5.888 -3.919 1.00 0.00 H new ATOM 0 HB3 SER A 24 -16.826 6.205 -2.227 1.00 0.00 H new ATOM 0 HG SER A 24 -15.484 7.842 -3.184 1.00 0.00 H new ATOM 338 N GLY A 25 -17.083 3.064 -1.771 1.00 0.00 N ATOM 339 CA GLY A 25 -18.024 1.967 -1.889 1.00 0.00 C ATOM 340 C GLY A 25 -17.341 0.617 -1.801 1.00 0.00 C ATOM 341 O GLY A 25 -17.702 -0.217 -0.971 1.00 0.00 O ATOM 0 H GLY A 25 -17.016 3.470 -0.838 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -18.773 2.046 -1.101 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -18.552 2.044 -2.839 1.00 0.00 H new ATOM 345 N SER A 26 -16.356 0.406 -2.657 1.00 0.00 N ATOM 346 CA SER A 26 -15.599 -0.831 -2.672 1.00 0.00 C ATOM 347 C SER A 26 -14.476 -0.793 -1.633 1.00 0.00 C ATOM 348 O SER A 26 -13.734 0.185 -1.537 1.00 0.00 O ATOM 349 CB SER A 26 -15.025 -1.058 -4.073 1.00 0.00 C ATOM 350 OG SER A 26 -15.353 0.026 -4.933 1.00 0.00 O ATOM 0 H SER A 26 -16.060 1.085 -3.358 1.00 0.00 H new ATOM 0 HA SER A 26 -16.263 -1.657 -2.416 1.00 0.00 H new ATOM 0 HB2 SER A 26 -13.942 -1.167 -4.014 1.00 0.00 H new ATOM 0 HB3 SER A 26 -15.417 -1.988 -4.486 1.00 0.00 H new ATOM 0 HG SER A 26 -14.976 -0.137 -5.823 1.00 0.00 H new ATOM 356 N ALA A 27 -14.359 -1.858 -0.855 1.00 0.00 N ATOM 357 CA ALA A 27 -13.343 -1.936 0.184 1.00 0.00 C ATOM 358 C ALA A 27 -12.324 -3.022 -0.145 1.00 0.00 C ATOM 359 O ALA A 27 -12.088 -3.935 0.648 1.00 0.00 O ATOM 360 CB ALA A 27 -13.991 -2.192 1.537 1.00 0.00 C ATOM 0 H ALA A 27 -14.956 -2.682 -0.923 1.00 0.00 H new ATOM 0 HA ALA A 27 -12.817 -0.982 0.231 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -13.220 -2.248 2.305 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -14.678 -1.379 1.771 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -14.540 -3.133 1.505 1.00 0.00 H new ATOM 366 N SER A 28 -11.739 -2.919 -1.328 1.00 0.00 N ATOM 367 CA SER A 28 -10.764 -3.894 -1.789 1.00 0.00 C ATOM 368 C SER A 28 -9.342 -3.454 -1.465 1.00 0.00 C ATOM 369 O SER A 28 -8.436 -4.284 -1.387 1.00 0.00 O ATOM 370 CB SER A 28 -10.920 -4.096 -3.296 1.00 0.00 C ATOM 371 OG SER A 28 -11.951 -3.266 -3.808 1.00 0.00 O ATOM 0 H SER A 28 -11.924 -2.165 -1.990 1.00 0.00 H new ATOM 0 HA SER A 28 -10.947 -4.835 -1.270 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.980 -3.868 -3.798 1.00 0.00 H new ATOM 0 HB3 SER A 28 -11.149 -5.141 -3.506 1.00 0.00 H new ATOM 0 HG SER A 28 -12.035 -3.407 -4.774 1.00 0.00 H new ATOM 377 N LEU A 29 -9.155 -2.147 -1.276 1.00 0.00 N ATOM 378 CA LEU A 29 -7.834 -1.577 -1.008 1.00 0.00 C ATOM 379 C LEU A 29 -6.828 -2.010 -2.073 1.00 0.00 C ATOM 380 O LEU A 29 -5.913 -2.788 -1.802 1.00 0.00 O ATOM 381 CB LEU A 29 -7.330 -1.985 0.384 1.00 0.00 C ATOM 382 CG LEU A 29 -7.449 -0.919 1.486 1.00 0.00 C ATOM 383 CD1 LEU A 29 -7.644 0.472 0.895 1.00 0.00 C ATOM 384 CD2 LEU A 29 -8.591 -1.263 2.435 1.00 0.00 C ATOM 0 H LEU A 29 -9.908 -1.459 -1.304 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.931 -0.492 -1.038 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -7.880 -2.870 0.702 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -6.283 -2.275 0.298 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.515 -0.912 2.048 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.724 1.202 1.701 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -6.792 0.722 0.263 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -8.556 0.489 0.298 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -8.663 -0.500 3.210 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -9.527 -1.304 1.878 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -8.401 -2.232 2.897 1.00 0.00 H new ATOM 396 N GLY A 30 -7.008 -1.497 -3.282 1.00 0.00 N ATOM 397 CA GLY A 30 -6.122 -1.844 -4.376 1.00 0.00 C ATOM 398 C GLY A 30 -4.785 -1.154 -4.235 1.00 0.00 C ATOM 399 O GLY A 30 -4.620 -0.010 -4.652 1.00 0.00 O ATOM 0 H GLY A 30 -7.754 -0.845 -3.526 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.976 -2.924 -4.401 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.582 -1.562 -5.323 1.00 0.00 H new ATOM 403 N CYS A 31 -3.831 -1.844 -3.646 1.00 0.00 N ATOM 404 CA CYS A 31 -2.593 -1.214 -3.235 1.00 0.00 C ATOM 405 C CYS A 31 -1.402 -1.617 -4.090 1.00 0.00 C ATOM 406 O CYS A 31 -1.349 -2.720 -4.637 1.00 0.00 O ATOM 407 CB CYS A 31 -2.318 -1.563 -1.782 1.00 0.00 C ATOM 408 SG CYS A 31 -1.261 -0.363 -0.921 1.00 0.00 S ATOM 0 H CYS A 31 -3.889 -2.841 -3.441 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.720 -0.139 -3.362 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -3.267 -1.641 -1.252 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -1.846 -2.545 -1.738 1.00 0.00 H new ATOM 413 N VAL A 32 -0.456 -0.695 -4.200 1.00 0.00 N ATOM 414 CA VAL A 32 0.825 -0.959 -4.834 1.00 0.00 C ATOM 415 C VAL A 32 1.936 -0.760 -3.808 1.00 0.00 C ATOM 416 O VAL A 32 1.809 0.076 -2.910 1.00 0.00 O ATOM 417 CB VAL A 32 1.080 -0.032 -6.046 1.00 0.00 C ATOM 418 CG1 VAL A 32 1.970 -0.727 -7.066 1.00 0.00 C ATOM 419 CG2 VAL A 32 -0.231 0.405 -6.688 1.00 0.00 C ATOM 0 H VAL A 32 -0.557 0.258 -3.851 1.00 0.00 H new ATOM 0 HA VAL A 32 0.812 -1.985 -5.201 1.00 0.00 H new ATOM 0 HB VAL A 32 1.591 0.861 -5.688 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.140 -0.062 -7.913 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.925 -0.979 -6.604 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.483 -1.639 -7.412 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.021 1.056 -7.537 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.779 -0.473 -7.030 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.832 0.945 -5.957 1.00 0.00 H new ATOM 429 N VAL A 33 3.004 -1.535 -3.927 1.00 0.00 N ATOM 430 CA VAL A 33 4.110 -1.452 -2.981 1.00 0.00 C ATOM 431 C VAL A 33 4.896 -0.159 -3.170 1.00 0.00 C ATOM 432 O VAL A 33 5.345 0.147 -4.276 1.00 0.00 O ATOM 433 CB VAL A 33 5.072 -2.654 -3.117 1.00 0.00 C ATOM 434 CG1 VAL A 33 5.923 -2.803 -1.863 1.00 0.00 C ATOM 435 CG2 VAL A 33 4.303 -3.939 -3.395 1.00 0.00 C ATOM 0 H VAL A 33 3.129 -2.227 -4.666 1.00 0.00 H new ATOM 0 HA VAL A 33 3.671 -1.467 -1.984 1.00 0.00 H new ATOM 0 HB VAL A 33 5.732 -2.464 -3.963 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.594 -3.654 -1.978 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.509 -1.897 -1.711 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.276 -2.965 -1.001 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.003 -4.769 -3.486 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.613 -4.135 -2.574 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.742 -3.834 -4.324 1.00 0.00 H new ATOM 445 N GLY A 34 5.052 0.596 -2.091 1.00 0.00 N ATOM 446 CA GLY A 34 5.802 1.830 -2.156 1.00 0.00 C ATOM 447 C GLY A 34 7.259 1.622 -1.811 1.00 0.00 C ATOM 448 O GLY A 34 7.583 1.082 -0.754 1.00 0.00 O ATOM 0 H GLY A 34 4.671 0.374 -1.171 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.723 2.251 -3.158 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.366 2.556 -1.470 1.00 0.00 H new ATOM 452 N VAL A 35 8.139 2.040 -2.704 1.00 0.00 N ATOM 453 CA VAL A 35 9.569 1.912 -2.482 1.00 0.00 C ATOM 454 C VAL A 35 10.159 3.262 -2.099 1.00 0.00 C ATOM 455 O VAL A 35 9.481 4.287 -2.173 1.00 0.00 O ATOM 456 CB VAL A 35 10.306 1.370 -3.730 1.00 0.00 C ATOM 457 CG1 VAL A 35 11.344 0.331 -3.330 1.00 0.00 C ATOM 458 CG2 VAL A 35 9.327 0.779 -4.739 1.00 0.00 C ATOM 0 H VAL A 35 7.887 2.473 -3.593 1.00 0.00 H new ATOM 0 HA VAL A 35 9.707 1.196 -1.671 1.00 0.00 H new ATOM 0 HB VAL A 35 10.814 2.209 -4.205 1.00 0.00 H new ATOM 0 HG11 VAL A 35 11.851 -0.038 -4.221 1.00 0.00 H new ATOM 0 HG12 VAL A 35 12.073 0.785 -2.659 1.00 0.00 H new ATOM 0 HG13 VAL A 35 10.852 -0.499 -2.823 1.00 0.00 H new ATOM 0 HG21 VAL A 35 9.876 0.407 -5.604 1.00 0.00 H new ATOM 0 HG22 VAL A 35 8.779 -0.042 -4.277 1.00 0.00 H new ATOM 0 HG23 VAL A 35 8.625 1.549 -5.059 1.00 0.00 H new ATOM 468 N ILE A 36 11.420 3.263 -1.694 1.00 0.00 N ATOM 469 CA ILE A 36 12.092 4.490 -1.289 1.00 0.00 C ATOM 470 C ILE A 36 12.195 5.465 -2.457 1.00 0.00 C ATOM 471 O ILE A 36 12.940 5.232 -3.410 1.00 0.00 O ATOM 472 CB ILE A 36 13.502 4.200 -0.737 1.00 0.00 C ATOM 473 CG1 ILE A 36 13.436 3.126 0.352 1.00 0.00 C ATOM 474 CG2 ILE A 36 14.137 5.473 -0.192 1.00 0.00 C ATOM 475 CD1 ILE A 36 13.980 1.783 -0.083 1.00 0.00 C ATOM 0 H ILE A 36 12.000 2.426 -1.637 1.00 0.00 H new ATOM 0 HA ILE A 36 11.492 4.941 -0.499 1.00 0.00 H new ATOM 0 HB ILE A 36 14.123 3.830 -1.553 1.00 0.00 H new ATOM 0 HG12 ILE A 36 13.995 3.469 1.223 1.00 0.00 H new ATOM 0 HG13 ILE A 36 12.400 3.003 0.666 1.00 0.00 H new ATOM 0 HG21 ILE A 36 15.132 5.248 0.193 1.00 0.00 H new ATOM 0 HG22 ILE A 36 14.216 6.211 -0.990 1.00 0.00 H new ATOM 0 HG23 ILE A 36 13.519 5.873 0.612 1.00 0.00 H new ATOM 0 HD11 ILE A 36 13.900 1.074 0.741 1.00 0.00 H new ATOM 0 HD12 ILE A 36 13.406 1.417 -0.934 1.00 0.00 H new ATOM 0 HD13 ILE A 36 15.026 1.890 -0.369 1.00 0.00 H new ATOM 487 N GLY A 37 11.424 6.542 -2.388 1.00 0.00 N ATOM 488 CA GLY A 37 11.459 7.553 -3.427 1.00 0.00 C ATOM 489 C GLY A 37 10.360 7.367 -4.454 1.00 0.00 C ATOM 490 O GLY A 37 10.595 7.497 -5.656 1.00 0.00 O ATOM 0 H GLY A 37 10.772 6.734 -1.627 1.00 0.00 H new ATOM 0 HA2 GLY A 37 11.365 8.539 -2.973 1.00 0.00 H new ATOM 0 HA3 GLY A 37 12.427 7.523 -3.926 1.00 0.00 H new ATOM 494 N SER A 38 9.157 7.065 -3.986 1.00 0.00 N ATOM 495 CA SER A 38 8.021 6.867 -4.880 1.00 0.00 C ATOM 496 C SER A 38 7.008 7.997 -4.730 1.00 0.00 C ATOM 497 O SER A 38 6.622 8.355 -3.618 1.00 0.00 O ATOM 498 CB SER A 38 7.354 5.520 -4.599 1.00 0.00 C ATOM 499 OG SER A 38 8.320 4.485 -4.509 1.00 0.00 O ATOM 0 H SER A 38 8.941 6.952 -2.996 1.00 0.00 H new ATOM 0 HA SER A 38 8.390 6.872 -5.906 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.789 5.577 -3.669 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.642 5.290 -5.391 1.00 0.00 H new ATOM 0 HG SER A 38 8.787 4.547 -3.650 1.00 0.00 H new ATOM 505 N GLN A 39 6.581 8.547 -5.855 1.00 0.00 N ATOM 506 CA GLN A 39 5.606 9.627 -5.865 1.00 0.00 C ATOM 507 C GLN A 39 4.214 9.062 -6.119 1.00 0.00 C ATOM 508 O GLN A 39 3.643 9.246 -7.195 1.00 0.00 O ATOM 509 CB GLN A 39 5.961 10.655 -6.941 1.00 0.00 C ATOM 510 CG GLN A 39 6.375 12.006 -6.384 1.00 0.00 C ATOM 511 CD GLN A 39 5.261 13.032 -6.444 1.00 0.00 C ATOM 512 OE1 GLN A 39 4.474 13.061 -7.390 1.00 0.00 O ATOM 513 NE2 GLN A 39 5.190 13.884 -5.436 1.00 0.00 N ATOM 0 H GLN A 39 6.897 8.260 -6.781 1.00 0.00 H new ATOM 0 HA GLN A 39 5.619 10.123 -4.894 1.00 0.00 H new ATOM 0 HB2 GLN A 39 6.772 10.261 -7.554 1.00 0.00 H new ATOM 0 HB3 GLN A 39 5.102 10.791 -7.598 1.00 0.00 H new ATOM 0 HG2 GLN A 39 6.696 11.885 -5.349 1.00 0.00 H new ATOM 0 HG3 GLN A 39 7.234 12.376 -6.943 1.00 0.00 H new ATOM 0 HE21 GLN A 39 5.862 13.826 -4.671 1.00 0.00 H new ATOM 0 HE22 GLN A 39 4.463 14.599 -5.423 1.00 0.00 H new ATOM 522 N CYS A 40 3.681 8.370 -5.125 1.00 0.00 N ATOM 523 CA CYS A 40 2.393 7.706 -5.251 1.00 0.00 C ATOM 524 C CYS A 40 1.256 8.721 -5.287 1.00 0.00 C ATOM 525 O CYS A 40 1.075 9.507 -4.351 1.00 0.00 O ATOM 526 CB CYS A 40 2.190 6.731 -4.088 1.00 0.00 C ATOM 527 SG CYS A 40 3.598 5.606 -3.812 1.00 0.00 S ATOM 0 H CYS A 40 4.125 8.253 -4.214 1.00 0.00 H new ATOM 0 HA CYS A 40 2.385 7.152 -6.190 1.00 0.00 H new ATOM 0 HB2 CYS A 40 2.009 7.301 -3.177 1.00 0.00 H new ATOM 0 HB3 CYS A 40 1.295 6.138 -4.276 1.00 0.00 H new ATOM 532 N GLY A 41 0.496 8.707 -6.373 1.00 0.00 N ATOM 533 CA GLY A 41 -0.633 9.603 -6.507 1.00 0.00 C ATOM 534 C GLY A 41 -1.892 9.031 -5.891 1.00 0.00 C ATOM 535 O GLY A 41 -2.941 8.974 -6.537 1.00 0.00 O ATOM 0 H GLY A 41 0.644 8.086 -7.169 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.398 10.555 -6.031 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.808 9.809 -7.563 1.00 0.00 H new ATOM 539 N ALA A 42 -1.785 8.611 -4.641 1.00 0.00 N ATOM 540 CA ALA A 42 -2.905 8.028 -3.921 1.00 0.00 C ATOM 541 C ALA A 42 -2.728 8.238 -2.423 1.00 0.00 C ATOM 542 O ALA A 42 -1.964 9.109 -1.999 1.00 0.00 O ATOM 543 CB ALA A 42 -3.033 6.544 -4.243 1.00 0.00 C ATOM 0 H ALA A 42 -0.923 8.664 -4.099 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.822 8.525 -4.237 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.877 6.124 -3.695 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.196 6.417 -5.313 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.118 6.028 -3.951 1.00 0.00 H new ATOM 549 N SER A 43 -3.427 7.447 -1.627 1.00 0.00 N ATOM 550 CA SER A 43 -3.325 7.545 -0.183 1.00 0.00 C ATOM 551 C SER A 43 -2.170 6.691 0.336 1.00 0.00 C ATOM 552 O SER A 43 -2.085 5.497 0.043 1.00 0.00 O ATOM 553 CB SER A 43 -4.640 7.112 0.463 1.00 0.00 C ATOM 554 OG SER A 43 -5.701 7.136 -0.480 1.00 0.00 O ATOM 0 H SER A 43 -4.072 6.729 -1.958 1.00 0.00 H new ATOM 0 HA SER A 43 -3.126 8.583 0.082 1.00 0.00 H new ATOM 0 HB2 SER A 43 -4.535 6.107 0.872 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.875 7.773 1.297 1.00 0.00 H new ATOM 0 HG SER A 43 -6.388 6.489 -0.216 1.00 0.00 H new ATOM 560 N VAL A 44 -1.282 7.313 1.099 1.00 0.00 N ATOM 561 CA VAL A 44 -0.153 6.611 1.687 1.00 0.00 C ATOM 562 C VAL A 44 -0.615 5.856 2.923 1.00 0.00 C ATOM 563 O VAL A 44 -1.104 6.455 3.883 1.00 0.00 O ATOM 564 CB VAL A 44 0.989 7.579 2.066 1.00 0.00 C ATOM 565 CG1 VAL A 44 2.168 6.819 2.659 1.00 0.00 C ATOM 566 CG2 VAL A 44 1.428 8.385 0.853 1.00 0.00 C ATOM 0 H VAL A 44 -1.323 8.307 1.325 1.00 0.00 H new ATOM 0 HA VAL A 44 0.235 5.914 0.944 1.00 0.00 H new ATOM 0 HB VAL A 44 0.615 8.269 2.822 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.960 7.521 2.918 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.845 6.289 3.555 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.543 6.102 1.929 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.233 9.062 1.138 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.781 7.708 0.075 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.585 8.963 0.476 1.00 0.00 H new ATOM 576 N LYS A 45 -0.482 4.544 2.888 1.00 0.00 N ATOM 577 CA LYS A 45 -0.990 3.701 3.949 1.00 0.00 C ATOM 578 C LYS A 45 0.125 2.908 4.613 1.00 0.00 C ATOM 579 O LYS A 45 1.148 2.604 3.996 1.00 0.00 O ATOM 580 CB LYS A 45 -2.053 2.751 3.398 1.00 0.00 C ATOM 581 CG LYS A 45 -3.308 2.709 4.244 1.00 0.00 C ATOM 582 CD LYS A 45 -4.548 3.063 3.444 1.00 0.00 C ATOM 583 CE LYS A 45 -5.700 3.451 4.357 1.00 0.00 C ATOM 584 NZ LYS A 45 -5.260 4.349 5.459 1.00 0.00 N ATOM 0 H LYS A 45 -0.023 4.038 2.131 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.437 4.346 4.705 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.315 3.057 2.385 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -1.634 1.747 3.330 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.424 1.712 4.670 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.205 3.402 5.079 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.324 3.887 2.767 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.840 2.214 2.827 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.475 3.947 3.772 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.147 2.551 4.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.084 4.630 6.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.577 3.849 6.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.811 5.197 5.058 1.00 0.00 H new ATOM 598 N CYS A 46 -0.080 2.585 5.876 1.00 0.00 N ATOM 599 CA CYS A 46 0.850 1.755 6.616 1.00 0.00 C ATOM 600 C CYS A 46 0.230 0.389 6.847 1.00 0.00 C ATOM 601 O CYS A 46 -0.577 0.208 7.763 1.00 0.00 O ATOM 602 CB CYS A 46 1.208 2.412 7.948 1.00 0.00 C ATOM 603 SG CYS A 46 2.817 3.265 7.939 1.00 0.00 S ATOM 0 H CYS A 46 -0.891 2.889 6.415 1.00 0.00 H new ATOM 0 HA CYS A 46 1.767 1.640 6.039 1.00 0.00 H new ATOM 0 HB2 CYS A 46 0.429 3.128 8.210 1.00 0.00 H new ATOM 0 HB3 CYS A 46 1.216 1.650 8.728 1.00 0.00 H new ATOM 608 N CYS A 47 0.591 -0.567 6.007 1.00 0.00 N ATOM 609 CA CYS A 47 -0.015 -1.888 6.060 1.00 0.00 C ATOM 610 C CYS A 47 1.037 -2.984 5.987 1.00 0.00 C ATOM 611 O CYS A 47 2.186 -2.739 5.616 1.00 0.00 O ATOM 612 CB CYS A 47 -1.013 -2.064 4.912 1.00 0.00 C ATOM 613 SG CYS A 47 -2.271 -0.753 4.805 1.00 0.00 S ATOM 0 H CYS A 47 1.299 -0.454 5.282 1.00 0.00 H new ATOM 0 HA CYS A 47 -0.537 -1.971 7.013 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -0.464 -2.102 3.971 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -1.515 -3.025 5.027 1.00 0.00 H new ATOM 618 N LYS A 48 0.642 -4.188 6.370 1.00 0.00 N ATOM 619 CA LYS A 48 1.484 -5.359 6.210 1.00 0.00 C ATOM 620 C LYS A 48 0.833 -6.316 5.222 1.00 0.00 C ATOM 621 O LYS A 48 1.466 -6.760 4.262 1.00 0.00 O ATOM 622 CB LYS A 48 1.694 -6.063 7.556 1.00 0.00 C ATOM 623 CG LYS A 48 3.033 -6.779 7.680 1.00 0.00 C ATOM 624 CD LYS A 48 3.009 -8.145 7.008 1.00 0.00 C ATOM 625 CE LYS A 48 2.703 -9.257 7.997 1.00 0.00 C ATOM 626 NZ LYS A 48 1.843 -10.316 7.401 1.00 0.00 N ATOM 0 H LYS A 48 -0.264 -4.379 6.797 1.00 0.00 H new ATOM 0 HA LYS A 48 2.457 -5.045 5.832 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.612 -5.327 8.356 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.892 -6.786 7.705 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.815 -6.167 7.231 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.286 -6.897 8.734 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.260 -8.147 6.216 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.973 -8.334 6.536 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.637 -9.701 8.343 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.206 -8.837 8.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.294 -10.781 8.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.193 -9.888 6.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.441 -11.020 6.922 1.00 0.00 H new ATOM 640 N ASP A 49 -0.447 -6.598 5.471 1.00 0.00 N ATOM 641 CA ASP A 49 -1.219 -7.560 4.688 1.00 0.00 C ATOM 642 C ASP A 49 -0.464 -8.883 4.564 1.00 0.00 C ATOM 643 O ASP A 49 0.136 -9.349 5.537 1.00 0.00 O ATOM 644 CB ASP A 49 -1.571 -7.003 3.305 1.00 0.00 C ATOM 645 CG ASP A 49 -2.776 -7.702 2.707 1.00 0.00 C ATOM 646 OD1 ASP A 49 -3.894 -7.521 3.230 1.00 0.00 O ATOM 647 OD2 ASP A 49 -2.603 -8.462 1.730 1.00 0.00 O ATOM 0 H ASP A 49 -0.978 -6.163 6.225 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.154 -7.745 5.217 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.772 -5.935 3.384 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.716 -7.118 2.638 1.00 0.00 H new ATOM 652 N ASP A 50 -0.492 -9.486 3.386 1.00 0.00 N ATOM 653 CA ASP A 50 0.239 -10.717 3.147 1.00 0.00 C ATOM 654 C ASP A 50 0.955 -10.656 1.809 1.00 0.00 C ATOM 655 O ASP A 50 0.344 -10.848 0.754 1.00 0.00 O ATOM 656 CB ASP A 50 -0.700 -11.919 3.185 1.00 0.00 C ATOM 657 CG ASP A 50 0.043 -13.233 3.051 1.00 0.00 C ATOM 658 OD1 ASP A 50 1.154 -13.360 3.612 1.00 0.00 O ATOM 659 OD2 ASP A 50 -0.486 -14.152 2.392 1.00 0.00 O ATOM 0 H ASP A 50 -1.014 -9.141 2.581 1.00 0.00 H new ATOM 0 HA ASP A 50 0.980 -10.832 3.938 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.257 -11.913 4.122 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -1.430 -11.833 2.380 1.00 0.00 H new ATOM 664 N VAL A 51 2.249 -10.378 1.857 1.00 0.00 N ATOM 665 CA VAL A 51 3.057 -10.276 0.653 1.00 0.00 C ATOM 666 C VAL A 51 3.250 -11.649 0.028 1.00 0.00 C ATOM 667 O VAL A 51 4.106 -12.427 0.460 1.00 0.00 O ATOM 668 CB VAL A 51 4.440 -9.649 0.930 1.00 0.00 C ATOM 669 CG1 VAL A 51 4.882 -8.795 -0.250 1.00 0.00 C ATOM 670 CG2 VAL A 51 4.422 -8.823 2.209 1.00 0.00 C ATOM 0 H VAL A 51 2.764 -10.218 2.723 1.00 0.00 H new ATOM 0 HA VAL A 51 2.519 -9.623 -0.034 1.00 0.00 H new ATOM 0 HB VAL A 51 5.157 -10.459 1.063 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.859 -8.360 -0.039 1.00 0.00 H new ATOM 0 HG12 VAL A 51 4.947 -9.415 -1.144 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.157 -7.997 -0.413 1.00 0.00 H new ATOM 0 HG21 VAL A 51 5.409 -8.394 2.379 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.689 -8.022 2.114 1.00 0.00 H new ATOM 0 HG23 VAL A 51 4.155 -9.462 3.051 1.00 0.00 H new ATOM 680 N THR A 52 2.430 -11.949 -0.965 1.00 0.00 N ATOM 681 CA THR A 52 2.507 -13.215 -1.669 1.00 0.00 C ATOM 682 C THR A 52 3.640 -13.188 -2.686 1.00 0.00 C ATOM 683 O THR A 52 4.645 -13.882 -2.536 1.00 0.00 O ATOM 684 CB THR A 52 1.176 -13.517 -2.374 1.00 0.00 C ATOM 685 OG1 THR A 52 0.149 -12.664 -1.841 1.00 0.00 O ATOM 686 CG2 THR A 52 0.784 -14.974 -2.190 1.00 0.00 C ATOM 0 H THR A 52 1.697 -11.325 -1.303 1.00 0.00 H new ATOM 0 HA THR A 52 2.706 -14.002 -0.941 1.00 0.00 H new ATOM 0 HB THR A 52 1.295 -13.328 -3.441 1.00 0.00 H new ATOM 0 HG1 THR A 52 -0.701 -12.854 -2.291 1.00 0.00 H new ATOM 0 HG21 THR A 52 -0.162 -15.163 -2.698 1.00 0.00 H new ATOM 0 HG22 THR A 52 1.558 -15.615 -2.613 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.674 -15.190 -1.127 1.00 0.00 H new ATOM 694 N ASN A 53 3.484 -12.370 -3.713 1.00 0.00 N ATOM 695 CA ASN A 53 4.540 -12.180 -4.691 1.00 0.00 C ATOM 696 C ASN A 53 5.267 -10.876 -4.405 1.00 0.00 C ATOM 697 O ASN A 53 4.640 -9.868 -4.076 1.00 0.00 O ATOM 698 CB ASN A 53 3.973 -12.167 -6.116 1.00 0.00 C ATOM 699 CG ASN A 53 5.013 -12.534 -7.164 1.00 0.00 C ATOM 700 OD1 ASN A 53 6.203 -12.263 -7.002 1.00 0.00 O ATOM 701 ND2 ASN A 53 4.575 -13.154 -8.250 1.00 0.00 N ATOM 0 H ASN A 53 2.638 -11.828 -3.890 1.00 0.00 H new ATOM 0 HA ASN A 53 5.240 -13.012 -4.615 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.139 -12.866 -6.177 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.575 -11.176 -6.336 1.00 0.00 H new ATOM 0 HD21 ASN A 53 5.231 -13.422 -8.984 1.00 0.00 H new ATOM 0 HD22 ASN A 53 3.582 -13.363 -8.352 1.00 0.00 H new ATOM 708 N THR A 54 6.582 -10.893 -4.536 1.00 0.00 N ATOM 709 CA THR A 54 7.386 -9.709 -4.292 1.00 0.00 C ATOM 710 C THR A 54 7.309 -8.763 -5.485 1.00 0.00 C ATOM 711 O THR A 54 7.763 -7.622 -5.425 1.00 0.00 O ATOM 712 CB THR A 54 8.849 -10.098 -4.026 1.00 0.00 C ATOM 713 OG1 THR A 54 8.984 -11.527 -4.095 1.00 0.00 O ATOM 714 CG2 THR A 54 9.300 -9.605 -2.660 1.00 0.00 C ATOM 0 H THR A 54 7.117 -11.717 -4.811 1.00 0.00 H new ATOM 0 HA THR A 54 6.992 -9.201 -3.411 1.00 0.00 H new ATOM 0 HB THR A 54 9.477 -9.631 -4.784 1.00 0.00 H new ATOM 0 HG1 THR A 54 9.917 -11.776 -3.927 1.00 0.00 H new ATOM 0 HG21 THR A 54 10.338 -9.892 -2.494 1.00 0.00 H new ATOM 0 HG22 THR A 54 9.213 -8.519 -2.618 1.00 0.00 H new ATOM 0 HG23 THR A 54 8.673 -10.050 -1.887 1.00 0.00 H new ATOM 722 N GLY A 55 6.716 -9.251 -6.567 1.00 0.00 N ATOM 723 CA GLY A 55 6.464 -8.422 -7.725 1.00 0.00 C ATOM 724 C GLY A 55 4.979 -8.300 -8.000 1.00 0.00 C ATOM 725 O GLY A 55 4.493 -8.713 -9.052 1.00 0.00 O ATOM 0 H GLY A 55 6.403 -10.217 -6.661 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.889 -7.431 -7.565 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.964 -8.847 -8.595 1.00 0.00 H new ATOM 729 N ASN A 56 4.248 -7.761 -7.036 1.00 0.00 N ATOM 730 CA ASN A 56 2.806 -7.618 -7.166 1.00 0.00 C ATOM 731 C ASN A 56 2.432 -6.166 -7.425 1.00 0.00 C ATOM 732 O ASN A 56 2.571 -5.312 -6.550 1.00 0.00 O ATOM 733 CB ASN A 56 2.105 -8.126 -5.905 1.00 0.00 C ATOM 734 CG ASN A 56 0.898 -8.983 -6.222 1.00 0.00 C ATOM 735 OD1 ASN A 56 0.732 -9.454 -7.345 1.00 0.00 O ATOM 736 ND2 ASN A 56 0.045 -9.189 -5.232 1.00 0.00 N ATOM 0 H ASN A 56 4.630 -7.416 -6.155 1.00 0.00 H new ATOM 0 HA ASN A 56 2.478 -8.217 -8.016 1.00 0.00 H new ATOM 0 HB2 ASN A 56 2.811 -8.704 -5.308 1.00 0.00 H new ATOM 0 HB3 ASN A 56 1.794 -7.276 -5.298 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -0.788 -9.757 -5.386 1.00 0.00 H new ATOM 0 HD22 ASN A 56 0.220 -8.780 -4.314 1.00 0.00 H new ATOM 743 N SER A 57 1.956 -5.895 -8.631 1.00 0.00 N ATOM 744 CA SER A 57 1.610 -4.540 -9.039 1.00 0.00 C ATOM 745 C SER A 57 0.239 -4.126 -8.511 1.00 0.00 C ATOM 746 O SER A 57 -0.158 -2.966 -8.629 1.00 0.00 O ATOM 747 CB SER A 57 1.636 -4.451 -10.562 1.00 0.00 C ATOM 748 OG SER A 57 2.222 -5.618 -11.118 1.00 0.00 O ATOM 0 H SER A 57 1.799 -6.601 -9.350 1.00 0.00 H new ATOM 0 HA SER A 57 2.344 -3.855 -8.615 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.622 -4.330 -10.942 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.200 -3.571 -10.871 1.00 0.00 H new ATOM 0 HG SER A 57 2.230 -5.546 -12.095 1.00 0.00 H new ATOM 754 N PHE A 58 -0.493 -5.078 -7.951 1.00 0.00 N ATOM 755 CA PHE A 58 -1.791 -4.791 -7.360 1.00 0.00 C ATOM 756 C PHE A 58 -2.116 -5.789 -6.259 1.00 0.00 C ATOM 757 O PHE A 58 -2.409 -6.956 -6.529 1.00 0.00 O ATOM 758 CB PHE A 58 -2.891 -4.812 -8.423 1.00 0.00 C ATOM 759 CG PHE A 58 -3.875 -3.686 -8.274 1.00 0.00 C ATOM 760 CD1 PHE A 58 -3.453 -2.368 -8.351 1.00 0.00 C ATOM 761 CD2 PHE A 58 -5.219 -3.942 -8.056 1.00 0.00 C ATOM 762 CE1 PHE A 58 -4.350 -1.329 -8.209 1.00 0.00 C ATOM 763 CE2 PHE A 58 -6.123 -2.906 -7.913 1.00 0.00 C ATOM 764 CZ PHE A 58 -5.687 -1.597 -7.993 1.00 0.00 C ATOM 0 H PHE A 58 -0.210 -6.056 -7.894 1.00 0.00 H new ATOM 0 HA PHE A 58 -1.744 -3.792 -6.926 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -2.434 -4.759 -9.411 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -3.423 -5.762 -8.368 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -2.409 -2.151 -8.524 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -5.565 -4.963 -7.997 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -4.006 -0.307 -8.267 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -7.167 -3.119 -7.739 1.00 0.00 H new ATOM 0 HZ PHE A 58 -6.391 -0.785 -7.887 1.00 0.00 H new ATOM 774 N LEU A 59 -2.054 -5.326 -5.023 1.00 0.00 N ATOM 775 CA LEU A 59 -2.365 -6.160 -3.872 1.00 0.00 C ATOM 776 C LEU A 59 -3.713 -5.766 -3.292 1.00 0.00 C ATOM 777 O LEU A 59 -3.944 -4.596 -2.995 1.00 0.00 O ATOM 778 CB LEU A 59 -1.289 -6.009 -2.792 1.00 0.00 C ATOM 779 CG LEU A 59 -0.002 -6.800 -3.030 1.00 0.00 C ATOM 780 CD1 LEU A 59 1.188 -5.858 -3.123 1.00 0.00 C ATOM 781 CD2 LEU A 59 0.208 -7.819 -1.921 1.00 0.00 C ATOM 0 H LEU A 59 -1.789 -4.369 -4.788 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.397 -7.198 -4.202 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.034 -4.953 -2.702 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.713 -6.317 -1.836 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.093 -7.335 -3.975 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.097 -6.435 -3.292 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.039 -5.164 -3.951 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.282 -5.298 -2.193 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.128 -8.373 -2.106 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.280 -7.304 -0.963 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.634 -8.511 -1.898 1.00 0.00 H new ATOM 793 N ILE A 60 -4.610 -6.735 -3.171 1.00 0.00 N ATOM 794 CA ILE A 60 -5.865 -6.519 -2.470 1.00 0.00 C ATOM 795 C ILE A 60 -5.617 -6.670 -0.977 1.00 0.00 C ATOM 796 O ILE A 60 -5.343 -7.771 -0.491 1.00 0.00 O ATOM 797 CB ILE A 60 -6.961 -7.510 -2.933 1.00 0.00 C ATOM 798 CG1 ILE A 60 -7.359 -7.227 -4.388 1.00 0.00 C ATOM 799 CG2 ILE A 60 -8.182 -7.438 -2.019 1.00 0.00 C ATOM 800 CD1 ILE A 60 -7.738 -5.786 -4.659 1.00 0.00 C ATOM 0 H ILE A 60 -4.491 -7.675 -3.548 1.00 0.00 H new ATOM 0 HA ILE A 60 -6.225 -5.515 -2.696 1.00 0.00 H new ATOM 0 HB ILE A 60 -6.554 -8.520 -2.875 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -6.530 -7.501 -5.040 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -8.199 -7.868 -4.654 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -8.938 -8.143 -2.365 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -7.889 -7.691 -1.000 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -8.592 -6.428 -2.039 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -8.006 -5.672 -5.709 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -8.589 -5.510 -4.036 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -6.893 -5.138 -4.427 1.00 0.00 H new ATOM 812 N ILE A 61 -5.683 -5.562 -0.260 1.00 0.00 N ATOM 813 CA ILE A 61 -5.295 -5.538 1.140 1.00 0.00 C ATOM 814 C ILE A 61 -6.505 -5.609 2.061 1.00 0.00 C ATOM 815 O ILE A 61 -7.530 -4.975 1.817 1.00 0.00 O ATOM 816 CB ILE A 61 -4.471 -4.271 1.466 1.00 0.00 C ATOM 817 CG1 ILE A 61 -3.084 -4.371 0.830 1.00 0.00 C ATOM 818 CG2 ILE A 61 -4.349 -4.058 2.973 1.00 0.00 C ATOM 819 CD1 ILE A 61 -2.229 -3.151 1.066 1.00 0.00 C ATOM 0 H ILE A 61 -6.002 -4.665 -0.625 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.678 -6.420 1.312 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.995 -3.411 1.050 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.572 -5.247 1.228 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.195 -4.526 -0.243 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.764 -3.159 3.167 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.343 -3.945 3.406 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -3.853 -4.918 3.423 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.259 -3.289 0.588 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.721 -2.275 0.643 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.089 -3.007 2.137 1.00 0.00 H new ATOM 831 N ASN A 62 -6.370 -6.396 3.116 1.00 0.00 N ATOM 832 CA ASN A 62 -7.381 -6.456 4.155 1.00 0.00 C ATOM 833 C ASN A 62 -7.225 -5.258 5.081 1.00 0.00 C ATOM 834 O ASN A 62 -6.146 -5.029 5.628 1.00 0.00 O ATOM 835 CB ASN A 62 -7.256 -7.757 4.955 1.00 0.00 C ATOM 836 CG ASN A 62 -8.404 -7.973 5.927 1.00 0.00 C ATOM 837 OD1 ASN A 62 -9.338 -7.174 6.003 1.00 0.00 O ATOM 838 ND2 ASN A 62 -8.335 -9.053 6.690 1.00 0.00 N ATOM 0 H ASN A 62 -5.566 -7.004 3.274 1.00 0.00 H new ATOM 0 HA ASN A 62 -8.367 -6.433 3.691 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -7.210 -8.598 4.264 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -6.317 -7.747 5.508 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -9.071 -9.246 7.369 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -7.546 -9.692 6.599 1.00 0.00 H new ATOM 845 N ALA A 63 -8.305 -4.510 5.267 1.00 0.00 N ATOM 846 CA ALA A 63 -8.276 -3.278 6.049 1.00 0.00 C ATOM 847 C ALA A 63 -7.827 -3.519 7.491 1.00 0.00 C ATOM 848 O ALA A 63 -7.348 -2.601 8.160 1.00 0.00 O ATOM 849 CB ALA A 63 -9.645 -2.621 6.028 1.00 0.00 C ATOM 0 H ALA A 63 -9.222 -4.738 4.883 1.00 0.00 H new ATOM 0 HA ALA A 63 -7.543 -2.614 5.590 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -9.617 -1.702 6.613 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.921 -2.388 5.000 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -10.382 -3.301 6.456 1.00 0.00 H new ATOM 855 N ALA A 64 -7.975 -4.753 7.958 1.00 0.00 N ATOM 856 CA ALA A 64 -7.584 -5.107 9.318 1.00 0.00 C ATOM 857 C ALA A 64 -6.078 -5.337 9.424 1.00 0.00 C ATOM 858 O ALA A 64 -5.524 -5.387 10.522 1.00 0.00 O ATOM 859 CB ALA A 64 -8.338 -6.345 9.776 1.00 0.00 C ATOM 0 H ALA A 64 -8.363 -5.525 7.416 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.841 -4.271 9.968 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.037 -6.599 10.792 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.410 -6.147 9.753 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.108 -7.178 9.111 1.00 0.00 H new ATOM 865 N ASN A 65 -5.416 -5.464 8.281 1.00 0.00 N ATOM 866 CA ASN A 65 -3.980 -5.732 8.254 1.00 0.00 C ATOM 867 C ASN A 65 -3.199 -4.440 8.031 1.00 0.00 C ATOM 868 O ASN A 65 -2.031 -4.455 7.625 1.00 0.00 O ATOM 869 CB ASN A 65 -3.647 -6.754 7.166 1.00 0.00 C ATOM 870 CG ASN A 65 -2.734 -7.859 7.667 1.00 0.00 C ATOM 871 OD1 ASN A 65 -1.945 -7.662 8.590 1.00 0.00 O ATOM 872 ND2 ASN A 65 -2.822 -9.029 7.050 1.00 0.00 N ATOM 0 H ASN A 65 -5.848 -5.386 7.360 1.00 0.00 H new ATOM 0 HA ASN A 65 -3.689 -6.148 9.219 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -4.571 -7.193 6.789 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -3.171 -6.246 6.328 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -2.223 -9.803 7.337 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -3.489 -9.155 6.288 1.00 0.00 H new ATOM 879 N CYS A 66 -3.868 -3.326 8.278 1.00 0.00 N ATOM 880 CA CYS A 66 -3.247 -2.012 8.218 1.00 0.00 C ATOM 881 C CYS A 66 -3.227 -1.379 9.605 1.00 0.00 C ATOM 882 O CYS A 66 -3.969 -1.795 10.495 1.00 0.00 O ATOM 883 CB CYS A 66 -4.018 -1.109 7.256 1.00 0.00 C ATOM 884 SG CYS A 66 -3.953 -1.639 5.516 1.00 0.00 S ATOM 0 H CYS A 66 -4.857 -3.306 8.526 1.00 0.00 H new ATOM 0 HA CYS A 66 -2.224 -2.126 7.860 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -5.060 -1.067 7.572 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -3.622 -0.096 7.330 1.00 0.00 H new ATOM 889 N VAL A 67 -2.375 -0.380 9.794 1.00 0.00 N ATOM 890 CA VAL A 67 -2.343 0.355 11.052 1.00 0.00 C ATOM 891 C VAL A 67 -3.478 1.369 11.083 1.00 0.00 C ATOM 892 O VAL A 67 -4.221 1.470 12.061 1.00 0.00 O ATOM 893 CB VAL A 67 -0.999 1.091 11.251 1.00 0.00 C ATOM 894 CG1 VAL A 67 -0.926 1.721 12.633 1.00 0.00 C ATOM 895 CG2 VAL A 67 0.171 0.146 11.033 1.00 0.00 C ATOM 0 H VAL A 67 -1.701 -0.061 9.098 1.00 0.00 H new ATOM 0 HA VAL A 67 -2.459 -0.367 11.860 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.939 1.888 10.509 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.029 2.233 12.749 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -1.739 2.438 12.749 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -1.016 0.944 13.392 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.107 0.686 11.178 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.112 -0.676 11.746 1.00 0.00 H new ATOM 0 HG23 VAL A 67 0.135 -0.250 10.018 1.00 0.00 H new ATOM 905 N ALA A 68 -3.617 2.101 9.990 1.00 0.00 N ATOM 906 CA ALA A 68 -4.662 3.093 9.845 1.00 0.00 C ATOM 907 C ALA A 68 -4.982 3.261 8.372 1.00 0.00 C ATOM 908 O ALA A 68 -4.182 2.782 7.544 1.00 0.00 O ATOM 909 CB ALA A 68 -4.234 4.420 10.458 1.00 0.00 C ATOM 910 OXT ALA A 68 -6.027 3.861 8.042 1.00 0.00 O ATOM 0 H ALA A 68 -3.005 2.022 9.178 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.555 2.758 10.373 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.034 5.151 10.338 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.026 4.280 11.519 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.336 4.780 9.956 1.00 0.00 H new TER 916 ALA A 68