USER MOD reduce.3.24.130724 H: found=0, std=0, add=553, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 553 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 70 ASN : amide:sc= 0.651 K(o=0.74,f=-5!) USER MOD Set 1.2: A 71 SER OG : rot 72:sc= 0.0938 USER MOD Set 2.1: A 21 SER OG : rot 72:sc= 1.53 USER MOD Set 2.2: A 57 SER OG : rot -160:sc= 0.965 USER MOD Set 2.3: A 59 LYS NZ :NH3+ -149:sc= 2.61 (180deg=0.677) USER MOD Set 3.1: A 15 LYS NZ :NH3+ 164:sc= 2.24 (180deg=0.941) USER MOD Set 3.2: A 17 TYR OH : rot 180:sc= 1.06 USER MOD Single : A 1 ALA N :NH3+ -112:sc= 0.111 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 157:sc= 0.653 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.0749 USER MOD Single : A 7 ASN : amide:sc= 0.071 K(o=0.071,f=-0.8) USER MOD Single : A 8 THR OG1 : rot -83:sc= 1.31 USER MOD Single : A 10 SER OG : rot 180:sc= 0.0682 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 22 MET CE :methyl -171:sc= 0 (180deg=-0.113) USER MOD Single : A 23 SER OG : rot 7:sc= 1.15 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.193 K(o=-0.19,f=-10!) USER MOD Single : A 40 SER OG : rot 58:sc= 1.1 USER MOD Single : A 42 SER OG : rot 180:sc= 0.0436 USER MOD Single : A 52 SER OG : rot 59:sc= -1.55! USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ -174:sc= 1.3 (180deg=1.23) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.00863 USER MOD Single : A 67 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.0543 USER MOD Single : A 76 ASN : amide:sc= 0.34 X(o=0.34,f=0) USER MOD Single : A 79 ASN : amide:sc= 1.14 K(o=1.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -9.066 6.794 7.355 1.00 0.00 N ATOM 2 CA ALA A 1 -7.978 5.919 6.874 1.00 0.00 C ATOM 3 C ALA A 1 -8.483 4.500 6.691 1.00 0.00 C ATOM 4 O ALA A 1 -9.537 4.135 7.215 1.00 0.00 O ATOM 5 CB ALA A 1 -6.809 5.950 7.848 1.00 0.00 C ATOM 0 H1 ALA A 1 -9.317 7.476 6.611 1.00 0.00 H new ATOM 0 H2 ALA A 1 -9.898 6.216 7.590 1.00 0.00 H new ATOM 0 H3 ALA A 1 -8.750 7.307 8.203 1.00 0.00 H new ATOM 0 HA ALA A 1 -7.633 6.288 5.908 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -6.013 5.301 7.482 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -6.434 6.970 7.934 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -7.141 5.601 8.826 1.00 0.00 H new ATOM 13 N THR A 2 -7.731 3.693 5.958 1.00 0.00 N ATOM 14 CA THR A 2 -8.122 2.321 5.698 1.00 0.00 C ATOM 15 C THR A 2 -7.811 1.432 6.898 1.00 0.00 C ATOM 16 O THR A 2 -6.662 1.040 7.123 1.00 0.00 O ATOM 17 CB THR A 2 -7.409 1.776 4.449 1.00 0.00 C ATOM 18 OG1 THR A 2 -6.839 2.860 3.703 1.00 0.00 O ATOM 19 CG2 THR A 2 -8.374 1.003 3.563 1.00 0.00 C ATOM 0 H THR A 2 -6.845 3.968 5.533 1.00 0.00 H new ATOM 0 HA THR A 2 -9.198 2.311 5.521 1.00 0.00 H new ATOM 0 HB THR A 2 -6.620 1.098 4.776 1.00 0.00 H new ATOM 0 HG1 THR A 2 -6.107 2.524 3.145 1.00 0.00 H new ATOM 0 HG21 THR A 2 -7.844 0.629 2.687 1.00 0.00 H new ATOM 0 HG22 THR A 2 -8.789 0.164 4.122 1.00 0.00 H new ATOM 0 HG23 THR A 2 -9.182 1.661 3.244 1.00 0.00 H new ATOM 27 N THR A 3 -8.845 1.142 7.678 1.00 0.00 N ATOM 28 CA THR A 3 -8.716 0.286 8.846 1.00 0.00 C ATOM 29 C THR A 3 -8.738 -1.182 8.433 1.00 0.00 C ATOM 30 O THR A 3 -9.760 -1.692 7.969 1.00 0.00 O ATOM 31 CB THR A 3 -9.854 0.550 9.853 1.00 0.00 C ATOM 32 OG1 THR A 3 -10.694 1.610 9.372 1.00 0.00 O ATOM 33 CG2 THR A 3 -9.293 0.918 11.219 1.00 0.00 C ATOM 0 H THR A 3 -9.790 1.492 7.519 1.00 0.00 H new ATOM 0 HA THR A 3 -7.763 0.515 9.323 1.00 0.00 H new ATOM 0 HB THR A 3 -10.442 -0.362 9.955 1.00 0.00 H new ATOM 0 HG1 THR A 3 -11.416 1.772 10.014 1.00 0.00 H new ATOM 0 HG21 THR A 3 -10.114 1.100 11.913 1.00 0.00 H new ATOM 0 HG22 THR A 3 -8.677 0.100 11.592 1.00 0.00 H new ATOM 0 HG23 THR A 3 -8.685 1.819 11.132 1.00 0.00 H new ATOM 41 N ILE A 4 -7.611 -1.855 8.597 1.00 0.00 N ATOM 42 CA ILE A 4 -7.493 -3.243 8.183 1.00 0.00 C ATOM 43 C ILE A 4 -8.166 -4.165 9.192 1.00 0.00 C ATOM 44 O ILE A 4 -7.815 -4.175 10.371 1.00 0.00 O ATOM 45 CB ILE A 4 -6.018 -3.659 8.003 1.00 0.00 C ATOM 46 CG1 ILE A 4 -5.372 -2.819 6.904 1.00 0.00 C ATOM 47 CG2 ILE A 4 -5.917 -5.139 7.661 1.00 0.00 C ATOM 48 CD1 ILE A 4 -3.909 -2.517 7.141 1.00 0.00 C ATOM 0 H ILE A 4 -6.766 -1.463 9.013 1.00 0.00 H new ATOM 0 HA ILE A 4 -7.995 -3.336 7.220 1.00 0.00 H new ATOM 0 HB ILE A 4 -5.490 -3.486 8.941 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -5.475 -3.342 5.953 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -5.916 -1.879 6.812 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -4.869 -5.413 7.538 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -6.354 -5.729 8.466 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -6.455 -5.336 6.734 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -3.523 -1.917 6.317 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -3.798 -1.965 8.075 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.350 -3.451 7.203 1.00 0.00 H new ATOM 60 N GLY A 5 -9.146 -4.923 8.723 1.00 0.00 N ATOM 61 CA GLY A 5 -9.841 -5.858 9.582 1.00 0.00 C ATOM 62 C GLY A 5 -9.582 -7.292 9.177 1.00 0.00 C ATOM 63 O GLY A 5 -9.053 -7.541 8.092 1.00 0.00 O ATOM 0 H GLY A 5 -9.473 -4.906 7.757 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -9.523 -5.709 10.614 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -10.912 -5.658 9.546 1.00 0.00 H new ATOM 67 N PRO A 6 -9.956 -8.260 10.027 1.00 0.00 N ATOM 68 CA PRO A 6 -9.717 -9.686 9.768 1.00 0.00 C ATOM 69 C PRO A 6 -10.561 -10.219 8.617 1.00 0.00 C ATOM 70 O PRO A 6 -10.284 -11.283 8.065 1.00 0.00 O ATOM 71 CB PRO A 6 -10.121 -10.361 11.081 1.00 0.00 C ATOM 72 CG PRO A 6 -11.086 -9.419 11.713 1.00 0.00 C ATOM 73 CD PRO A 6 -10.638 -8.042 11.317 1.00 0.00 C ATOM 0 HA PRO A 6 -8.684 -9.875 9.475 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -10.578 -11.334 10.901 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -9.255 -10.529 11.722 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -12.102 -9.613 11.370 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -11.089 -9.532 12.797 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -11.482 -7.359 11.215 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -9.966 -7.610 12.058 1.00 0.00 H new ATOM 81 N ASN A 7 -11.592 -9.469 8.260 1.00 0.00 N ATOM 82 CA ASN A 7 -12.497 -9.861 7.188 1.00 0.00 C ATOM 83 C ASN A 7 -12.394 -8.884 6.028 1.00 0.00 C ATOM 84 O ASN A 7 -13.403 -8.456 5.468 1.00 0.00 O ATOM 85 CB ASN A 7 -13.948 -9.927 7.691 1.00 0.00 C ATOM 86 CG ASN A 7 -14.130 -9.297 9.058 1.00 0.00 C ATOM 87 OD1 ASN A 7 -13.916 -8.095 9.241 1.00 0.00 O ATOM 88 ND2 ASN A 7 -14.522 -10.104 10.030 1.00 0.00 N ATOM 0 H ASN A 7 -11.825 -8.579 8.700 1.00 0.00 H new ATOM 0 HA ASN A 7 -12.206 -10.854 6.845 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -14.598 -9.423 6.975 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -14.266 -10.969 7.732 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -14.658 -9.739 10.973 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -14.688 -11.092 9.837 1.00 0.00 H new ATOM 95 N THR A 8 -11.168 -8.516 5.683 1.00 0.00 N ATOM 96 CA THR A 8 -10.920 -7.618 4.566 1.00 0.00 C ATOM 97 C THR A 8 -11.274 -8.305 3.250 1.00 0.00 C ATOM 98 O THR A 8 -12.215 -7.911 2.558 1.00 0.00 O ATOM 99 CB THR A 8 -9.445 -7.188 4.548 1.00 0.00 C ATOM 100 OG1 THR A 8 -8.688 -8.054 5.407 1.00 0.00 O ATOM 101 CG2 THR A 8 -9.292 -5.746 5.009 1.00 0.00 C ATOM 0 H THR A 8 -10.325 -8.828 6.165 1.00 0.00 H new ATOM 0 HA THR A 8 -11.546 -6.734 4.685 1.00 0.00 H new ATOM 0 HB THR A 8 -9.073 -7.260 3.526 1.00 0.00 H new ATOM 0 HG1 THR A 8 -8.759 -7.740 6.333 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.239 -5.467 4.987 1.00 0.00 H new ATOM 0 HG22 THR A 8 -9.855 -5.090 4.345 1.00 0.00 H new ATOM 0 HG23 THR A 8 -9.672 -5.647 6.026 1.00 0.00 H new ATOM 109 N CYS A 9 -10.522 -9.347 2.932 1.00 0.00 N ATOM 110 CA CYS A 9 -10.793 -10.174 1.768 1.00 0.00 C ATOM 111 C CYS A 9 -10.708 -11.642 2.172 1.00 0.00 C ATOM 112 O CYS A 9 -9.781 -12.358 1.787 1.00 0.00 O ATOM 113 CB CYS A 9 -9.799 -9.865 0.642 1.00 0.00 C ATOM 114 SG CYS A 9 -8.510 -8.652 1.091 1.00 0.00 S ATOM 0 H CYS A 9 -9.709 -9.642 3.472 1.00 0.00 H new ATOM 0 HA CYS A 9 -11.794 -9.958 1.395 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -9.317 -10.793 0.334 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -10.350 -9.490 -0.221 1.00 0.00 H new ATOM 119 N SER A 10 -11.688 -12.085 2.954 1.00 0.00 N ATOM 120 CA SER A 10 -11.660 -13.414 3.548 1.00 0.00 C ATOM 121 C SER A 10 -12.082 -14.491 2.547 1.00 0.00 C ATOM 122 O SER A 10 -13.136 -15.113 2.689 1.00 0.00 O ATOM 123 CB SER A 10 -12.567 -13.438 4.778 1.00 0.00 C ATOM 124 OG SER A 10 -13.205 -12.182 4.963 1.00 0.00 O ATOM 0 H SER A 10 -12.515 -11.538 3.191 1.00 0.00 H new ATOM 0 HA SER A 10 -10.635 -13.637 3.845 1.00 0.00 H new ATOM 0 HB2 SER A 10 -13.319 -14.219 4.665 1.00 0.00 H new ATOM 0 HB3 SER A 10 -11.980 -13.686 5.663 1.00 0.00 H new ATOM 0 HG SER A 10 -13.781 -12.221 5.755 1.00 0.00 H new ATOM 130 N ILE A 11 -11.256 -14.694 1.531 1.00 0.00 N ATOM 131 CA ILE A 11 -11.457 -15.780 0.585 1.00 0.00 C ATOM 132 C ILE A 11 -10.769 -17.029 1.116 1.00 0.00 C ATOM 133 O ILE A 11 -11.377 -17.845 1.810 1.00 0.00 O ATOM 134 CB ILE A 11 -10.894 -15.431 -0.815 1.00 0.00 C ATOM 135 CG1 ILE A 11 -11.104 -13.946 -1.124 1.00 0.00 C ATOM 136 CG2 ILE A 11 -11.543 -16.300 -1.885 1.00 0.00 C ATOM 137 CD1 ILE A 11 -9.888 -13.279 -1.729 1.00 0.00 C ATOM 0 H ILE A 11 -10.437 -14.117 1.341 1.00 0.00 H new ATOM 0 HA ILE A 11 -12.528 -15.950 0.478 1.00 0.00 H new ATOM 0 HB ILE A 11 -9.823 -15.632 -0.815 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -11.945 -13.841 -1.809 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -11.374 -13.426 -0.205 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -11.135 -16.040 -2.862 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -11.339 -17.350 -1.674 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -12.620 -16.133 -1.886 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -10.107 -12.229 -1.922 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -9.050 -13.353 -1.036 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -9.630 -13.774 -2.665 1.00 0.00 H new ATOM 149 N ASP A 12 -9.495 -17.164 0.797 1.00 0.00 N ATOM 150 CA ASP A 12 -8.662 -18.201 1.385 1.00 0.00 C ATOM 151 C ASP A 12 -7.954 -17.618 2.604 1.00 0.00 C ATOM 152 O ASP A 12 -8.322 -16.540 3.079 1.00 0.00 O ATOM 153 CB ASP A 12 -7.638 -18.698 0.350 1.00 0.00 C ATOM 154 CG ASP A 12 -7.044 -20.057 0.685 1.00 0.00 C ATOM 155 OD1 ASP A 12 -7.344 -20.603 1.765 1.00 0.00 O ATOM 156 OD2 ASP A 12 -6.256 -20.579 -0.130 1.00 0.00 O ATOM 0 H ASP A 12 -9.010 -16.565 0.129 1.00 0.00 H new ATOM 0 HA ASP A 12 -9.274 -19.050 1.691 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -8.118 -18.752 -0.627 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.832 -17.968 0.269 1.00 0.00 H new ATOM 161 N ASP A 13 -6.960 -18.319 3.120 1.00 0.00 N ATOM 162 CA ASP A 13 -6.102 -17.766 4.158 1.00 0.00 C ATOM 163 C ASP A 13 -5.168 -16.738 3.525 1.00 0.00 C ATOM 164 O ASP A 13 -3.995 -17.011 3.257 1.00 0.00 O ATOM 165 CB ASP A 13 -5.306 -18.873 4.856 1.00 0.00 C ATOM 166 CG ASP A 13 -4.394 -18.344 5.951 1.00 0.00 C ATOM 167 OD1 ASP A 13 -4.763 -17.363 6.626 1.00 0.00 O ATOM 168 OD2 ASP A 13 -3.302 -18.927 6.147 1.00 0.00 O ATOM 0 H ASP A 13 -6.726 -19.271 2.839 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.715 -17.281 4.918 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -5.999 -19.597 5.285 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -4.707 -19.405 4.117 1.00 0.00 H new ATOM 173 N TYR A 14 -5.726 -15.573 3.245 1.00 0.00 N ATOM 174 CA TYR A 14 -5.012 -14.513 2.563 1.00 0.00 C ATOM 175 C TYR A 14 -4.430 -13.530 3.563 1.00 0.00 C ATOM 176 O TYR A 14 -5.089 -13.156 4.531 1.00 0.00 O ATOM 177 CB TYR A 14 -5.956 -13.780 1.603 1.00 0.00 C ATOM 178 CG TYR A 14 -5.914 -14.309 0.190 1.00 0.00 C ATOM 179 CD1 TYR A 14 -4.825 -14.054 -0.627 1.00 0.00 C ATOM 180 CD2 TYR A 14 -6.957 -15.070 -0.326 1.00 0.00 C ATOM 181 CE1 TYR A 14 -4.771 -14.541 -1.919 1.00 0.00 C ATOM 182 CE2 TYR A 14 -6.909 -15.561 -1.617 1.00 0.00 C ATOM 183 CZ TYR A 14 -5.815 -15.292 -2.410 1.00 0.00 C ATOM 184 OH TYR A 14 -5.760 -15.785 -3.694 1.00 0.00 O ATOM 0 H TYR A 14 -6.689 -15.337 3.486 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.194 -14.957 1.996 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -6.976 -13.857 1.980 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -5.699 -12.721 1.593 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -4.004 -13.464 -0.248 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -7.818 -15.281 0.291 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.913 -14.333 -2.541 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -7.726 -16.153 -2.003 1.00 0.00 H new ATOM 0 HH TYR A 14 -6.575 -16.294 -3.884 1.00 0.00 H new ATOM 194 N LYS A 15 -3.196 -13.120 3.327 1.00 0.00 N ATOM 195 CA LYS A 15 -2.551 -12.141 4.183 1.00 0.00 C ATOM 196 C LYS A 15 -2.796 -10.740 3.640 1.00 0.00 C ATOM 197 O LYS A 15 -2.450 -10.441 2.497 1.00 0.00 O ATOM 198 CB LYS A 15 -1.045 -12.409 4.284 1.00 0.00 C ATOM 199 CG LYS A 15 -0.694 -13.840 4.659 1.00 0.00 C ATOM 200 CD LYS A 15 0.795 -14.106 4.506 1.00 0.00 C ATOM 201 CE LYS A 15 1.203 -14.178 3.043 1.00 0.00 C ATOM 202 NZ LYS A 15 2.633 -13.817 2.848 1.00 0.00 N ATOM 0 H LYS A 15 -2.622 -13.449 2.551 1.00 0.00 H new ATOM 0 HA LYS A 15 -2.979 -12.222 5.182 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -0.579 -12.170 3.328 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -0.615 -11.735 5.025 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -0.995 -14.032 5.689 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -1.255 -14.530 4.029 1.00 0.00 H new ATOM 0 HD2 LYS A 15 1.359 -13.317 5.003 1.00 0.00 H new ATOM 0 HD3 LYS A 15 1.051 -15.042 5.002 1.00 0.00 H new ATOM 0 HE2 LYS A 15 1.028 -15.186 2.666 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.576 -13.506 2.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 2.945 -14.132 1.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 2.744 -12.786 2.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 3.211 -14.281 3.578 1.00 0.00 H new ATOM 216 N PRO A 16 -3.432 -9.879 4.436 1.00 0.00 N ATOM 217 CA PRO A 16 -3.665 -8.489 4.066 1.00 0.00 C ATOM 218 C PRO A 16 -2.367 -7.694 4.034 1.00 0.00 C ATOM 219 O PRO A 16 -1.477 -7.903 4.859 1.00 0.00 O ATOM 220 CB PRO A 16 -4.595 -7.958 5.167 1.00 0.00 C ATOM 221 CG PRO A 16 -5.071 -9.168 5.904 1.00 0.00 C ATOM 222 CD PRO A 16 -3.986 -10.192 5.752 1.00 0.00 C ATOM 0 HA PRO A 16 -4.093 -8.399 3.068 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -4.066 -7.276 5.832 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -5.431 -7.403 4.741 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.250 -8.941 6.955 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -6.012 -9.532 5.492 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.236 -10.107 6.538 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -4.379 -11.208 5.795 1.00 0.00 H new ATOM 230 N TYR A 17 -2.257 -6.804 3.069 1.00 0.00 N ATOM 231 CA TYR A 17 -1.084 -5.958 2.928 1.00 0.00 C ATOM 232 C TYR A 17 -1.513 -4.537 2.599 1.00 0.00 C ATOM 233 O TYR A 17 -2.380 -4.333 1.757 1.00 0.00 O ATOM 234 CB TYR A 17 -0.189 -6.474 1.805 1.00 0.00 C ATOM 235 CG TYR A 17 0.648 -7.687 2.159 1.00 0.00 C ATOM 236 CD1 TYR A 17 0.159 -8.969 1.961 1.00 0.00 C ATOM 237 CD2 TYR A 17 1.935 -7.548 2.659 1.00 0.00 C ATOM 238 CE1 TYR A 17 0.925 -10.082 2.257 1.00 0.00 C ATOM 239 CE2 TYR A 17 2.714 -8.655 2.949 1.00 0.00 C ATOM 240 CZ TYR A 17 2.203 -9.920 2.748 1.00 0.00 C ATOM 241 OH TYR A 17 2.979 -11.027 3.026 1.00 0.00 O ATOM 0 H TYR A 17 -2.974 -6.645 2.361 1.00 0.00 H new ATOM 0 HA TYR A 17 -0.532 -5.974 3.868 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -0.814 -6.721 0.947 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.477 -5.670 1.493 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -0.838 -9.101 1.568 1.00 0.00 H new ATOM 0 HD2 TYR A 17 2.336 -6.559 2.825 1.00 0.00 H new ATOM 0 HE1 TYR A 17 0.524 -11.073 2.104 1.00 0.00 H new ATOM 0 HE2 TYR A 17 3.716 -8.529 3.331 1.00 0.00 H new ATOM 0 HH TYR A 17 3.853 -10.738 3.363 1.00 0.00 H new ATOM 251 N CYS A 18 -0.915 -3.564 3.255 1.00 0.00 N ATOM 252 CA CYS A 18 -1.204 -2.175 2.936 1.00 0.00 C ATOM 253 C CYS A 18 0.021 -1.508 2.325 1.00 0.00 C ATOM 254 O CYS A 18 1.108 -1.536 2.902 1.00 0.00 O ATOM 255 CB CYS A 18 -1.672 -1.401 4.175 1.00 0.00 C ATOM 256 SG CYS A 18 -0.759 -1.783 5.709 1.00 0.00 S ATOM 0 H CYS A 18 -0.235 -3.702 4.002 1.00 0.00 H new ATOM 0 HA CYS A 18 -2.016 -2.160 2.208 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -1.584 -0.333 3.973 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -2.730 -1.609 4.337 1.00 0.00 H new ATOM 261 N CYS A 19 -0.151 -0.942 1.138 1.00 0.00 N ATOM 262 CA CYS A 19 0.927 -0.231 0.474 1.00 0.00 C ATOM 263 C CYS A 19 0.362 0.782 -0.514 1.00 0.00 C ATOM 264 O CYS A 19 -0.805 0.698 -0.890 1.00 0.00 O ATOM 265 CB CYS A 19 1.847 -1.213 -0.253 1.00 0.00 C ATOM 266 SG CYS A 19 0.985 -2.647 -0.978 1.00 0.00 S ATOM 0 H CYS A 19 -1.028 -0.963 0.617 1.00 0.00 H new ATOM 0 HA CYS A 19 1.507 0.298 1.230 1.00 0.00 H new ATOM 0 HB2 CYS A 19 2.374 -0.681 -1.045 1.00 0.00 H new ATOM 0 HB3 CYS A 19 2.602 -1.572 0.446 1.00 0.00 H new ATOM 271 N GLN A 20 1.182 1.737 -0.925 1.00 0.00 N ATOM 272 CA GLN A 20 0.748 2.753 -1.873 1.00 0.00 C ATOM 273 C GLN A 20 0.784 2.200 -3.294 1.00 0.00 C ATOM 274 O GLN A 20 1.854 2.000 -3.870 1.00 0.00 O ATOM 275 CB GLN A 20 1.634 3.996 -1.758 1.00 0.00 C ATOM 276 CG GLN A 20 1.174 4.974 -0.689 1.00 0.00 C ATOM 277 CD GLN A 20 2.293 5.387 0.249 1.00 0.00 C ATOM 278 OE1 GLN A 20 2.988 4.544 0.818 1.00 0.00 O ATOM 279 NE2 GLN A 20 2.481 6.687 0.413 1.00 0.00 N ATOM 0 H GLN A 20 2.150 1.830 -0.618 1.00 0.00 H new ATOM 0 HA GLN A 20 -0.278 3.036 -1.639 1.00 0.00 H new ATOM 0 HB2 GLN A 20 2.655 3.685 -1.539 1.00 0.00 H new ATOM 0 HB3 GLN A 20 1.656 4.507 -2.721 1.00 0.00 H new ATOM 0 HG2 GLN A 20 0.761 5.862 -1.168 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.369 4.521 -0.110 1.00 0.00 H new ATOM 0 HE21 GLN A 20 1.884 7.354 -0.076 1.00 0.00 H new ATOM 0 HE22 GLN A 20 3.223 7.021 1.028 1.00 0.00 H new ATOM 288 N SER A 21 -0.394 1.952 -3.857 1.00 0.00 N ATOM 289 CA SER A 21 -0.493 1.325 -5.167 1.00 0.00 C ATOM 290 C SER A 21 -0.761 2.351 -6.270 1.00 0.00 C ATOM 291 O SER A 21 -1.373 2.032 -7.287 1.00 0.00 O ATOM 292 CB SER A 21 -1.591 0.256 -5.152 1.00 0.00 C ATOM 293 OG SER A 21 -1.677 -0.367 -3.878 1.00 0.00 O ATOM 0 H SER A 21 -1.291 2.176 -3.426 1.00 0.00 H new ATOM 0 HA SER A 21 0.466 0.855 -5.387 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.549 0.710 -5.404 1.00 0.00 H new ATOM 0 HB3 SER A 21 -1.383 -0.495 -5.915 1.00 0.00 H new ATOM 0 HG SER A 21 -2.063 0.261 -3.232 1.00 0.00 H new ATOM 299 N MET A 22 -0.318 3.585 -6.058 1.00 0.00 N ATOM 300 CA MET A 22 -0.404 4.607 -7.098 1.00 0.00 C ATOM 301 C MET A 22 0.857 4.571 -7.954 1.00 0.00 C ATOM 302 O MET A 22 0.825 4.844 -9.152 1.00 0.00 O ATOM 303 CB MET A 22 -0.617 6.001 -6.486 1.00 0.00 C ATOM 304 CG MET A 22 0.661 6.719 -6.072 1.00 0.00 C ATOM 305 SD MET A 22 1.345 6.070 -4.535 1.00 0.00 S ATOM 306 CE MET A 22 1.352 7.547 -3.522 1.00 0.00 C ATOM 0 H MET A 22 0.101 3.902 -5.184 1.00 0.00 H new ATOM 0 HA MET A 22 -1.266 4.395 -7.731 1.00 0.00 H new ATOM 0 HB2 MET A 22 -1.148 6.622 -7.207 1.00 0.00 H new ATOM 0 HB3 MET A 22 -1.262 5.904 -5.613 1.00 0.00 H new ATOM 0 HG2 MET A 22 1.402 6.623 -6.866 1.00 0.00 H new ATOM 0 HG3 MET A 22 0.455 7.783 -5.955 1.00 0.00 H new ATOM 0 HE1 MET A 22 1.893 7.351 -2.596 1.00 0.00 H new ATOM 0 HE2 MET A 22 1.841 8.357 -4.063 1.00 0.00 H new ATOM 0 HE3 MET A 22 0.326 7.833 -3.289 1.00 0.00 H new ATOM 316 N SER A 23 1.964 4.234 -7.311 1.00 0.00 N ATOM 317 CA SER A 23 3.234 4.022 -7.984 1.00 0.00 C ATOM 318 C SER A 23 4.145 3.201 -7.082 1.00 0.00 C ATOM 319 O SER A 23 4.276 1.988 -7.243 1.00 0.00 O ATOM 320 CB SER A 23 3.894 5.356 -8.355 1.00 0.00 C ATOM 321 OG SER A 23 3.228 5.975 -9.448 1.00 0.00 O ATOM 0 H SER A 23 2.006 4.099 -6.301 1.00 0.00 H new ATOM 0 HA SER A 23 3.058 3.479 -8.912 1.00 0.00 H new ATOM 0 HB2 SER A 23 3.880 6.023 -7.493 1.00 0.00 H new ATOM 0 HB3 SER A 23 4.940 5.188 -8.612 1.00 0.00 H new ATOM 0 HG SER A 23 2.420 5.467 -9.669 1.00 0.00 H new ATOM 327 N GLY A 24 4.738 3.865 -6.111 1.00 0.00 N ATOM 328 CA GLY A 24 5.585 3.183 -5.155 1.00 0.00 C ATOM 329 C GLY A 24 6.546 4.121 -4.456 1.00 0.00 C ATOM 330 O GLY A 24 7.210 4.934 -5.106 1.00 0.00 O ATOM 0 H GLY A 24 4.650 4.870 -5.964 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.961 2.687 -4.411 1.00 0.00 H new ATOM 0 HA3 GLY A 24 6.151 2.404 -5.667 1.00 0.00 H new ATOM 334 N PRO A 25 6.634 4.046 -3.122 1.00 0.00 N ATOM 335 CA PRO A 25 7.579 4.847 -2.348 1.00 0.00 C ATOM 336 C PRO A 25 9.007 4.330 -2.502 1.00 0.00 C ATOM 337 O PRO A 25 9.444 3.447 -1.762 1.00 0.00 O ATOM 338 CB PRO A 25 7.100 4.688 -0.894 1.00 0.00 C ATOM 339 CG PRO A 25 5.794 3.959 -0.971 1.00 0.00 C ATOM 340 CD PRO A 25 5.821 3.187 -2.255 1.00 0.00 C ATOM 0 HA PRO A 25 7.603 5.886 -2.677 1.00 0.00 H new ATOM 0 HB2 PRO A 25 7.825 4.129 -0.302 1.00 0.00 H new ATOM 0 HB3 PRO A 25 6.978 5.659 -0.414 1.00 0.00 H new ATOM 0 HG2 PRO A 25 5.670 3.292 -0.118 1.00 0.00 H new ATOM 0 HG3 PRO A 25 4.957 4.657 -0.954 1.00 0.00 H new ATOM 0 HD2 PRO A 25 6.267 2.201 -2.127 1.00 0.00 H new ATOM 0 HD3 PRO A 25 4.820 3.034 -2.658 1.00 0.00 H new ATOM 348 N ALA A 26 9.718 4.863 -3.486 1.00 0.00 N ATOM 349 CA ALA A 26 11.087 4.444 -3.756 1.00 0.00 C ATOM 350 C ALA A 26 12.025 4.882 -2.637 1.00 0.00 C ATOM 351 O ALA A 26 12.630 4.052 -1.957 1.00 0.00 O ATOM 352 CB ALA A 26 11.550 5.010 -5.087 1.00 0.00 C ATOM 0 H ALA A 26 9.369 5.588 -4.112 1.00 0.00 H new ATOM 0 HA ALA A 26 11.109 3.355 -3.805 1.00 0.00 H new ATOM 0 HB1 ALA A 26 12.574 4.692 -5.281 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.900 4.646 -5.883 1.00 0.00 H new ATOM 0 HB3 ALA A 26 11.508 6.099 -5.054 1.00 0.00 H new ATOM 358 N GLY A 27 12.127 6.186 -2.443 1.00 0.00 N ATOM 359 CA GLY A 27 13.006 6.721 -1.425 1.00 0.00 C ATOM 360 C GLY A 27 14.039 7.651 -2.020 1.00 0.00 C ATOM 361 O GLY A 27 13.744 8.390 -2.959 1.00 0.00 O ATOM 0 H GLY A 27 11.614 6.888 -2.976 1.00 0.00 H new ATOM 0 HA2 GLY A 27 12.418 7.257 -0.680 1.00 0.00 H new ATOM 0 HA3 GLY A 27 13.506 5.902 -0.908 1.00 0.00 H new ATOM 365 N SER A 28 15.245 7.623 -1.475 1.00 0.00 N ATOM 366 CA SER A 28 16.335 8.438 -1.992 1.00 0.00 C ATOM 367 C SER A 28 16.876 7.845 -3.296 1.00 0.00 C ATOM 368 O SER A 28 17.406 6.730 -3.305 1.00 0.00 O ATOM 369 CB SER A 28 17.446 8.536 -0.945 1.00 0.00 C ATOM 370 OG SER A 28 16.901 8.761 0.345 1.00 0.00 O ATOM 0 H SER A 28 15.495 7.044 -0.673 1.00 0.00 H new ATOM 0 HA SER A 28 15.960 9.439 -2.205 1.00 0.00 H new ATOM 0 HB2 SER A 28 18.032 7.617 -0.942 1.00 0.00 H new ATOM 0 HB3 SER A 28 18.126 9.347 -1.204 1.00 0.00 H new ATOM 0 HG SER A 28 17.627 8.819 1.001 1.00 0.00 H new ATOM 376 N PRO A 29 16.751 8.589 -4.408 1.00 0.00 N ATOM 377 CA PRO A 29 17.178 8.130 -5.738 1.00 0.00 C ATOM 378 C PRO A 29 18.645 7.707 -5.773 1.00 0.00 C ATOM 379 O PRO A 29 19.513 8.378 -5.212 1.00 0.00 O ATOM 380 CB PRO A 29 16.950 9.352 -6.632 1.00 0.00 C ATOM 381 CG PRO A 29 15.925 10.163 -5.917 1.00 0.00 C ATOM 382 CD PRO A 29 16.182 9.947 -4.454 1.00 0.00 C ATOM 0 HA PRO A 29 16.625 7.246 -6.054 1.00 0.00 H new ATOM 0 HB2 PRO A 29 17.872 9.916 -6.773 1.00 0.00 H new ATOM 0 HB3 PRO A 29 16.601 9.058 -7.622 1.00 0.00 H new ATOM 0 HG2 PRO A 29 16.009 11.218 -6.177 1.00 0.00 H new ATOM 0 HG3 PRO A 29 14.918 9.847 -6.188 1.00 0.00 H new ATOM 0 HD2 PRO A 29 16.875 10.687 -4.053 1.00 0.00 H new ATOM 0 HD3 PRO A 29 15.265 10.019 -3.869 1.00 0.00 H new ATOM 390 N GLY A 30 18.908 6.585 -6.426 1.00 0.00 N ATOM 391 CA GLY A 30 20.258 6.075 -6.529 1.00 0.00 C ATOM 392 C GLY A 30 20.401 5.106 -7.681 1.00 0.00 C ATOM 393 O GLY A 30 19.839 5.330 -8.754 1.00 0.00 O ATOM 0 H GLY A 30 18.202 6.014 -6.891 1.00 0.00 H new ATOM 0 HA2 GLY A 30 20.952 6.905 -6.663 1.00 0.00 H new ATOM 0 HA3 GLY A 30 20.532 5.578 -5.598 1.00 0.00 H new ATOM 397 N LEU A 31 21.124 4.020 -7.462 1.00 0.00 N ATOM 398 CA LEU A 31 21.333 3.018 -8.502 1.00 0.00 C ATOM 399 C LEU A 31 20.192 2.003 -8.510 1.00 0.00 C ATOM 400 O LEU A 31 20.376 0.837 -8.150 1.00 0.00 O ATOM 401 CB LEU A 31 22.672 2.307 -8.294 1.00 0.00 C ATOM 402 CG LEU A 31 23.615 2.347 -9.495 1.00 0.00 C ATOM 403 CD1 LEU A 31 25.058 2.411 -9.029 1.00 0.00 C ATOM 404 CD2 LEU A 31 23.394 1.133 -10.382 1.00 0.00 C ATOM 0 H LEU A 31 21.578 3.807 -6.574 1.00 0.00 H new ATOM 0 HA LEU A 31 21.351 3.524 -9.467 1.00 0.00 H new ATOM 0 HB2 LEU A 31 23.177 2.757 -7.439 1.00 0.00 H new ATOM 0 HB3 LEU A 31 22.478 1.266 -8.038 1.00 0.00 H new ATOM 0 HG LEU A 31 23.400 3.243 -10.078 1.00 0.00 H new ATOM 0 HD11 LEU A 31 25.719 2.439 -9.895 1.00 0.00 H new ATOM 0 HD12 LEU A 31 25.207 3.309 -8.429 1.00 0.00 H new ATOM 0 HD13 LEU A 31 25.285 1.531 -8.427 1.00 0.00 H new ATOM 0 HD21 LEU A 31 24.073 1.176 -11.233 1.00 0.00 H new ATOM 0 HD22 LEU A 31 23.586 0.225 -9.810 1.00 0.00 H new ATOM 0 HD23 LEU A 31 22.364 1.126 -10.739 1.00 0.00 H new ATOM 416 N LEU A 32 19.015 2.454 -8.916 1.00 0.00 N ATOM 417 CA LEU A 32 17.839 1.595 -8.961 1.00 0.00 C ATOM 418 C LEU A 32 17.467 1.274 -10.404 1.00 0.00 C ATOM 419 O LEU A 32 17.773 2.041 -11.316 1.00 0.00 O ATOM 420 CB LEU A 32 16.656 2.272 -8.262 1.00 0.00 C ATOM 421 CG LEU A 32 16.769 2.369 -6.743 1.00 0.00 C ATOM 422 CD1 LEU A 32 16.658 3.819 -6.291 1.00 0.00 C ATOM 423 CD2 LEU A 32 15.697 1.523 -6.077 1.00 0.00 C ATOM 0 H LEU A 32 18.847 3.413 -9.220 1.00 0.00 H new ATOM 0 HA LEU A 32 18.076 0.666 -8.441 1.00 0.00 H new ATOM 0 HB2 LEU A 32 16.542 3.278 -8.667 1.00 0.00 H new ATOM 0 HB3 LEU A 32 15.747 1.724 -8.509 1.00 0.00 H new ATOM 0 HG LEU A 32 17.746 1.989 -6.445 1.00 0.00 H new ATOM 0 HD11 LEU A 32 16.741 3.869 -5.205 1.00 0.00 H new ATOM 0 HD12 LEU A 32 17.459 4.403 -6.743 1.00 0.00 H new ATOM 0 HD13 LEU A 32 15.694 4.224 -6.600 1.00 0.00 H new ATOM 0 HD21 LEU A 32 15.791 1.603 -4.994 1.00 0.00 H new ATOM 0 HD22 LEU A 32 14.712 1.877 -6.383 1.00 0.00 H new ATOM 0 HD23 LEU A 32 15.817 0.482 -6.376 1.00 0.00 H new ATOM 435 N ASN A 33 16.819 0.136 -10.603 1.00 0.00 N ATOM 436 CA ASN A 33 16.355 -0.251 -11.927 1.00 0.00 C ATOM 437 C ASN A 33 15.024 0.425 -12.225 1.00 0.00 C ATOM 438 O ASN A 33 14.183 0.571 -11.339 1.00 0.00 O ATOM 439 CB ASN A 33 16.208 -1.773 -12.024 1.00 0.00 C ATOM 440 CG ASN A 33 16.265 -2.284 -13.457 1.00 0.00 C ATOM 441 OD1 ASN A 33 15.718 -1.670 -14.377 1.00 0.00 O ATOM 442 ND2 ASN A 33 16.938 -3.407 -13.661 1.00 0.00 N ATOM 0 H ASN A 33 16.603 -0.535 -9.866 1.00 0.00 H new ATOM 0 HA ASN A 33 17.092 0.070 -12.663 1.00 0.00 H new ATOM 0 HB2 ASN A 33 16.999 -2.247 -11.443 1.00 0.00 H new ATOM 0 HB3 ASN A 33 15.260 -2.071 -11.575 1.00 0.00 H new ATOM 0 HD21 ASN A 33 17.017 -3.791 -14.603 1.00 0.00 H new ATOM 0 HD22 ASN A 33 17.378 -3.888 -12.876 1.00 0.00 H new ATOM 449 N LEU A 34 14.845 0.841 -13.472 1.00 0.00 N ATOM 450 CA LEU A 34 13.620 1.504 -13.894 1.00 0.00 C ATOM 451 C LEU A 34 12.487 0.495 -14.030 1.00 0.00 C ATOM 452 O LEU A 34 11.307 0.859 -14.049 1.00 0.00 O ATOM 453 CB LEU A 34 13.849 2.225 -15.224 1.00 0.00 C ATOM 454 CG LEU A 34 15.134 3.048 -15.297 1.00 0.00 C ATOM 455 CD1 LEU A 34 15.794 2.883 -16.659 1.00 0.00 C ATOM 456 CD2 LEU A 34 14.841 4.516 -15.012 1.00 0.00 C ATOM 0 H LEU A 34 15.538 0.730 -14.212 1.00 0.00 H new ATOM 0 HA LEU A 34 13.340 2.236 -13.137 1.00 0.00 H new ATOM 0 HB2 LEU A 34 13.863 1.485 -16.024 1.00 0.00 H new ATOM 0 HB3 LEU A 34 13.002 2.884 -15.414 1.00 0.00 H new ATOM 0 HG LEU A 34 15.825 2.684 -14.537 1.00 0.00 H new ATOM 0 HD11 LEU A 34 16.708 3.476 -16.695 1.00 0.00 H new ATOM 0 HD12 LEU A 34 16.036 1.833 -16.821 1.00 0.00 H new ATOM 0 HD13 LEU A 34 15.111 3.222 -17.438 1.00 0.00 H new ATOM 0 HD21 LEU A 34 15.766 5.089 -15.068 1.00 0.00 H new ATOM 0 HD22 LEU A 34 14.134 4.896 -15.750 1.00 0.00 H new ATOM 0 HD23 LEU A 34 14.413 4.615 -14.015 1.00 0.00 H new ATOM 468 N ILE A 35 12.858 -0.774 -14.124 1.00 0.00 N ATOM 469 CA ILE A 35 11.896 -1.859 -14.220 1.00 0.00 C ATOM 470 C ILE A 35 11.983 -2.732 -12.970 1.00 0.00 C ATOM 471 O ILE A 35 13.080 -3.083 -12.537 1.00 0.00 O ATOM 472 CB ILE A 35 12.147 -2.736 -15.474 1.00 0.00 C ATOM 473 CG1 ILE A 35 12.458 -1.858 -16.689 1.00 0.00 C ATOM 474 CG2 ILE A 35 10.946 -3.629 -15.759 1.00 0.00 C ATOM 475 CD1 ILE A 35 13.871 -2.017 -17.200 1.00 0.00 C ATOM 0 H ILE A 35 13.831 -1.078 -14.136 1.00 0.00 H new ATOM 0 HA ILE A 35 10.903 -1.418 -14.306 1.00 0.00 H new ATOM 0 HB ILE A 35 13.009 -3.374 -15.276 1.00 0.00 H new ATOM 0 HG12 ILE A 35 11.760 -2.100 -17.491 1.00 0.00 H new ATOM 0 HG13 ILE A 35 12.290 -0.814 -16.425 1.00 0.00 H new ATOM 0 HG21 ILE A 35 11.145 -4.235 -16.643 1.00 0.00 H new ATOM 0 HG22 ILE A 35 10.767 -4.281 -14.904 1.00 0.00 H new ATOM 0 HG23 ILE A 35 10.066 -3.010 -15.934 1.00 0.00 H new ATOM 0 HD11 ILE A 35 14.022 -1.366 -18.061 1.00 0.00 H new ATOM 0 HD12 ILE A 35 14.575 -1.747 -16.413 1.00 0.00 H new ATOM 0 HD13 ILE A 35 14.037 -3.053 -17.495 1.00 0.00 H new ATOM 487 N PRO A 36 10.838 -3.059 -12.352 1.00 0.00 N ATOM 488 CA PRO A 36 10.798 -3.947 -11.182 1.00 0.00 C ATOM 489 C PRO A 36 11.411 -5.313 -11.486 1.00 0.00 C ATOM 490 O PRO A 36 10.989 -6.000 -12.420 1.00 0.00 O ATOM 491 CB PRO A 36 9.300 -4.086 -10.885 1.00 0.00 C ATOM 492 CG PRO A 36 8.669 -2.892 -11.519 1.00 0.00 C ATOM 493 CD PRO A 36 9.498 -2.584 -12.732 1.00 0.00 C ATOM 0 HA PRO A 36 11.371 -3.549 -10.344 1.00 0.00 H new ATOM 0 HB2 PRO A 36 8.899 -5.011 -11.300 1.00 0.00 H new ATOM 0 HB3 PRO A 36 9.111 -4.109 -9.812 1.00 0.00 H new ATOM 0 HG2 PRO A 36 7.635 -3.097 -11.795 1.00 0.00 H new ATOM 0 HG3 PRO A 36 8.654 -2.047 -10.831 1.00 0.00 H new ATOM 0 HD2 PRO A 36 9.124 -3.099 -13.617 1.00 0.00 H new ATOM 0 HD3 PRO A 36 9.498 -1.518 -12.960 1.00 0.00 H new ATOM 501 N VAL A 37 12.400 -5.702 -10.695 1.00 0.00 N ATOM 502 CA VAL A 37 13.112 -6.948 -10.929 1.00 0.00 C ATOM 503 C VAL A 37 12.723 -8.012 -9.910 1.00 0.00 C ATOM 504 O VAL A 37 12.958 -7.859 -8.708 1.00 0.00 O ATOM 505 CB VAL A 37 14.644 -6.758 -10.891 1.00 0.00 C ATOM 506 CG1 VAL A 37 15.347 -8.004 -11.409 1.00 0.00 C ATOM 507 CG2 VAL A 37 15.062 -5.534 -11.694 1.00 0.00 C ATOM 0 H VAL A 37 12.727 -5.173 -9.887 1.00 0.00 H new ATOM 0 HA VAL A 37 12.823 -7.277 -11.927 1.00 0.00 H new ATOM 0 HB VAL A 37 14.941 -6.598 -9.854 1.00 0.00 H new ATOM 0 HG11 VAL A 37 16.426 -7.853 -11.376 1.00 0.00 H new ATOM 0 HG12 VAL A 37 15.080 -8.858 -10.786 1.00 0.00 H new ATOM 0 HG13 VAL A 37 15.039 -8.195 -12.437 1.00 0.00 H new ATOM 0 HG21 VAL A 37 16.145 -5.423 -11.651 1.00 0.00 H new ATOM 0 HG22 VAL A 37 14.751 -5.656 -12.731 1.00 0.00 H new ATOM 0 HG23 VAL A 37 14.589 -4.645 -11.275 1.00 0.00 H new ATOM 517 N ASP A 38 12.108 -9.073 -10.405 1.00 0.00 N ATOM 518 CA ASP A 38 11.765 -10.234 -9.600 1.00 0.00 C ATOM 519 C ASP A 38 11.517 -11.413 -10.529 1.00 0.00 C ATOM 520 O ASP A 38 11.370 -11.223 -11.737 1.00 0.00 O ATOM 521 CB ASP A 38 10.519 -9.958 -8.749 1.00 0.00 C ATOM 522 CG ASP A 38 10.303 -11.010 -7.677 1.00 0.00 C ATOM 523 OD1 ASP A 38 11.003 -10.963 -6.642 1.00 0.00 O ATOM 524 OD2 ASP A 38 9.447 -11.899 -7.876 1.00 0.00 O ATOM 0 H ASP A 38 11.831 -9.154 -11.383 1.00 0.00 H new ATOM 0 HA ASP A 38 12.588 -10.460 -8.922 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.613 -8.979 -8.279 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.643 -9.918 -9.396 1.00 0.00 H new ATOM 529 N LEU A 39 11.457 -12.620 -9.984 1.00 0.00 N ATOM 530 CA LEU A 39 11.144 -13.794 -10.786 1.00 0.00 C ATOM 531 C LEU A 39 9.647 -13.844 -11.040 1.00 0.00 C ATOM 532 O LEU A 39 9.174 -14.519 -11.956 1.00 0.00 O ATOM 533 CB LEU A 39 11.599 -15.075 -10.080 1.00 0.00 C ATOM 534 CG LEU A 39 13.100 -15.350 -10.131 1.00 0.00 C ATOM 535 CD1 LEU A 39 13.553 -16.067 -8.868 1.00 0.00 C ATOM 536 CD2 LEU A 39 13.448 -16.169 -11.363 1.00 0.00 C ATOM 0 H LEU A 39 11.620 -12.811 -8.995 1.00 0.00 H new ATOM 0 HA LEU A 39 11.676 -13.723 -11.735 1.00 0.00 H new ATOM 0 HB2 LEU A 39 11.291 -15.024 -9.036 1.00 0.00 H new ATOM 0 HB3 LEU A 39 11.076 -15.921 -10.525 1.00 0.00 H new ATOM 0 HG LEU A 39 13.624 -14.396 -10.192 1.00 0.00 H new ATOM 0 HD11 LEU A 39 14.625 -16.255 -8.921 1.00 0.00 H new ATOM 0 HD12 LEU A 39 13.336 -15.445 -7.999 1.00 0.00 H new ATOM 0 HD13 LEU A 39 13.022 -17.015 -8.777 1.00 0.00 H new ATOM 0 HD21 LEU A 39 14.522 -16.356 -11.384 1.00 0.00 H new ATOM 0 HD22 LEU A 39 12.915 -17.119 -11.331 1.00 0.00 H new ATOM 0 HD23 LEU A 39 13.158 -15.620 -12.259 1.00 0.00 H new ATOM 548 N SER A 40 8.913 -13.109 -10.219 1.00 0.00 N ATOM 549 CA SER A 40 7.476 -12.994 -10.354 1.00 0.00 C ATOM 550 C SER A 40 7.072 -11.526 -10.487 1.00 0.00 C ATOM 551 O SER A 40 6.859 -11.030 -11.596 1.00 0.00 O ATOM 552 CB SER A 40 6.798 -13.624 -9.138 1.00 0.00 C ATOM 553 OG SER A 40 7.760 -14.032 -8.171 1.00 0.00 O ATOM 0 H SER A 40 9.301 -12.576 -9.441 1.00 0.00 H new ATOM 0 HA SER A 40 7.157 -13.520 -11.254 1.00 0.00 H new ATOM 0 HB2 SER A 40 6.108 -12.908 -8.690 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.206 -14.484 -9.452 1.00 0.00 H new ATOM 0 HG SER A 40 8.301 -13.260 -7.902 1.00 0.00 H new ATOM 559 N ALA A 41 7.006 -10.829 -9.358 1.00 0.00 N ATOM 560 CA ALA A 41 6.618 -9.426 -9.331 1.00 0.00 C ATOM 561 C ALA A 41 7.028 -8.800 -8.006 1.00 0.00 C ATOM 562 O ALA A 41 6.793 -9.372 -6.944 1.00 0.00 O ATOM 563 CB ALA A 41 5.118 -9.269 -9.554 1.00 0.00 C ATOM 0 H ALA A 41 7.219 -11.220 -8.440 1.00 0.00 H new ATOM 0 HA ALA A 41 7.132 -8.910 -10.142 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.855 -8.211 -9.529 1.00 0.00 H new ATOM 0 HB2 ALA A 41 4.849 -9.687 -10.524 1.00 0.00 H new ATOM 0 HB3 ALA A 41 4.576 -9.796 -8.769 1.00 0.00 H new ATOM 569 N SER A 42 7.646 -7.633 -8.071 1.00 0.00 N ATOM 570 CA SER A 42 8.130 -6.956 -6.878 1.00 0.00 C ATOM 571 C SER A 42 7.001 -6.232 -6.148 1.00 0.00 C ATOM 572 O SER A 42 6.558 -5.161 -6.576 1.00 0.00 O ATOM 573 CB SER A 42 9.205 -5.949 -7.266 1.00 0.00 C ATOM 574 OG SER A 42 9.782 -6.280 -8.520 1.00 0.00 O ATOM 0 H SER A 42 7.825 -7.132 -8.941 1.00 0.00 H new ATOM 0 HA SER A 42 8.542 -7.709 -6.207 1.00 0.00 H new ATOM 0 HB2 SER A 42 8.772 -4.950 -7.313 1.00 0.00 H new ATOM 0 HB3 SER A 42 9.980 -5.925 -6.500 1.00 0.00 H new ATOM 0 HG SER A 42 10.468 -5.619 -8.749 1.00 0.00 H new ATOM 580 N LEU A 43 6.534 -6.816 -5.055 1.00 0.00 N ATOM 581 CA LEU A 43 5.512 -6.184 -4.235 1.00 0.00 C ATOM 582 C LEU A 43 6.088 -5.807 -2.877 1.00 0.00 C ATOM 583 O LEU A 43 6.547 -6.667 -2.123 1.00 0.00 O ATOM 584 CB LEU A 43 4.305 -7.110 -4.071 1.00 0.00 C ATOM 585 CG LEU A 43 3.065 -6.705 -4.876 1.00 0.00 C ATOM 586 CD1 LEU A 43 2.259 -5.654 -4.124 1.00 0.00 C ATOM 587 CD2 LEU A 43 3.465 -6.189 -6.255 1.00 0.00 C ATOM 0 H LEU A 43 6.846 -7.726 -4.716 1.00 0.00 H new ATOM 0 HA LEU A 43 5.177 -5.275 -4.735 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.597 -8.118 -4.364 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.037 -7.150 -3.015 1.00 0.00 H new ATOM 0 HG LEU A 43 2.439 -7.587 -5.009 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.383 -5.379 -4.711 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.940 -6.059 -3.163 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.877 -4.771 -3.959 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.571 -5.907 -6.811 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.113 -5.320 -6.144 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.997 -6.972 -6.796 1.00 0.00 H new ATOM 599 N GLY A 44 6.063 -4.517 -2.577 1.00 0.00 N ATOM 600 CA GLY A 44 6.642 -4.032 -1.343 1.00 0.00 C ATOM 601 C GLY A 44 5.595 -3.510 -0.387 1.00 0.00 C ATOM 602 O GLY A 44 5.280 -2.319 -0.390 1.00 0.00 O ATOM 0 H GLY A 44 5.650 -3.796 -3.169 1.00 0.00 H new ATOM 0 HA2 GLY A 44 7.199 -4.837 -0.864 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.356 -3.239 -1.566 1.00 0.00 H new ATOM 606 N CYS A 45 5.046 -4.401 0.423 1.00 0.00 N ATOM 607 CA CYS A 45 4.016 -4.031 1.378 1.00 0.00 C ATOM 608 C CYS A 45 4.258 -4.712 2.715 1.00 0.00 C ATOM 609 O CYS A 45 5.122 -5.578 2.834 1.00 0.00 O ATOM 610 CB CYS A 45 2.630 -4.411 0.851 1.00 0.00 C ATOM 611 SG CYS A 45 2.386 -4.113 -0.928 1.00 0.00 S ATOM 0 H CYS A 45 5.298 -5.389 0.437 1.00 0.00 H new ATOM 0 HA CYS A 45 4.058 -2.951 1.517 1.00 0.00 H new ATOM 0 HB2 CYS A 45 2.455 -5.467 1.056 1.00 0.00 H new ATOM 0 HB3 CYS A 45 1.878 -3.850 1.406 1.00 0.00 H new ATOM 616 N VAL A 46 3.492 -4.318 3.719 1.00 0.00 N ATOM 617 CA VAL A 46 3.577 -4.932 5.033 1.00 0.00 C ATOM 618 C VAL A 46 2.241 -5.552 5.402 1.00 0.00 C ATOM 619 O VAL A 46 1.198 -5.124 4.898 1.00 0.00 O ATOM 620 CB VAL A 46 3.987 -3.918 6.120 1.00 0.00 C ATOM 621 CG1 VAL A 46 5.504 -3.803 6.195 1.00 0.00 C ATOM 622 CG2 VAL A 46 3.348 -2.559 5.862 1.00 0.00 C ATOM 0 H VAL A 46 2.801 -3.571 3.648 1.00 0.00 H new ATOM 0 HA VAL A 46 4.347 -5.702 4.983 1.00 0.00 H new ATOM 0 HB VAL A 46 3.625 -4.279 7.082 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.777 -3.083 6.967 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.931 -4.776 6.439 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.891 -3.467 5.233 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.652 -1.860 6.642 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.672 -2.183 4.891 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.263 -2.660 5.868 1.00 0.00 H new ATOM 632 N VAL A 47 2.272 -6.564 6.261 1.00 0.00 N ATOM 633 CA VAL A 47 1.059 -7.264 6.656 1.00 0.00 C ATOM 634 C VAL A 47 0.119 -6.336 7.410 1.00 0.00 C ATOM 635 O VAL A 47 0.535 -5.590 8.301 1.00 0.00 O ATOM 636 CB VAL A 47 1.346 -8.511 7.519 1.00 0.00 C ATOM 637 CG1 VAL A 47 1.650 -9.712 6.637 1.00 0.00 C ATOM 638 CG2 VAL A 47 2.489 -8.258 8.490 1.00 0.00 C ATOM 0 H VAL A 47 3.124 -6.917 6.696 1.00 0.00 H new ATOM 0 HA VAL A 47 0.586 -7.598 5.733 1.00 0.00 H new ATOM 0 HB VAL A 47 0.452 -8.727 8.104 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.850 -10.582 7.263 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.794 -9.917 5.994 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.524 -9.499 6.021 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.667 -9.155 9.084 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.391 -8.007 7.932 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.229 -7.431 9.151 1.00 0.00 H new ATOM 648 N GLY A 48 -1.142 -6.387 7.036 1.00 0.00 N ATOM 649 CA GLY A 48 -2.136 -5.547 7.648 1.00 0.00 C ATOM 650 C GLY A 48 -2.603 -6.096 8.976 1.00 0.00 C ATOM 651 O GLY A 48 -3.343 -7.079 9.026 1.00 0.00 O ATOM 0 H GLY A 48 -1.499 -7.006 6.308 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.726 -4.547 7.793 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.989 -5.447 6.977 1.00 0.00 H new ATOM 655 N VAL A 49 -2.153 -5.473 10.055 1.00 0.00 N ATOM 656 CA VAL A 49 -2.576 -5.855 11.393 1.00 0.00 C ATOM 657 C VAL A 49 -4.045 -5.510 11.588 1.00 0.00 C ATOM 658 O VAL A 49 -4.464 -4.390 11.293 1.00 0.00 O ATOM 659 CB VAL A 49 -1.747 -5.136 12.476 1.00 0.00 C ATOM 660 CG1 VAL A 49 -1.932 -5.800 13.833 1.00 0.00 C ATOM 661 CG2 VAL A 49 -0.276 -5.086 12.094 1.00 0.00 C ATOM 0 H VAL A 49 -1.492 -4.697 10.029 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.422 -6.929 11.494 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.110 -4.111 12.549 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.337 -5.274 14.580 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.984 -5.763 14.116 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.608 -6.839 13.777 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.286 -4.574 12.875 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.105 -6.101 11.980 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.163 -4.548 11.153 1.00 0.00 H new ATOM 671 N ILE A 50 -4.824 -6.463 12.080 1.00 0.00 N ATOM 672 CA ILE A 50 -6.248 -6.244 12.259 1.00 0.00 C ATOM 673 C ILE A 50 -6.496 -5.222 13.368 1.00 0.00 C ATOM 674 O ILE A 50 -5.984 -5.346 14.484 1.00 0.00 O ATOM 675 CB ILE A 50 -7.009 -7.562 12.546 1.00 0.00 C ATOM 676 CG1 ILE A 50 -6.645 -8.141 13.918 1.00 0.00 C ATOM 677 CG2 ILE A 50 -6.718 -8.582 11.456 1.00 0.00 C ATOM 678 CD1 ILE A 50 -7.777 -8.908 14.567 1.00 0.00 C ATOM 0 H ILE A 50 -4.495 -7.387 12.360 1.00 0.00 H new ATOM 0 HA ILE A 50 -6.638 -5.847 11.321 1.00 0.00 H new ATOM 0 HB ILE A 50 -8.075 -7.333 12.554 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -5.785 -8.801 13.809 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -6.341 -7.328 14.578 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -7.258 -9.505 11.668 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -7.039 -8.186 10.492 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -5.648 -8.787 11.426 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -7.450 -9.290 15.534 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -8.631 -8.246 14.708 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -8.066 -9.742 13.927 1.00 0.00 H new ATOM 690 N GLY A 51 -7.242 -4.181 13.031 1.00 0.00 N ATOM 691 CA GLY A 51 -7.499 -3.109 13.970 1.00 0.00 C ATOM 692 C GLY A 51 -6.547 -1.946 13.764 1.00 0.00 C ATOM 693 O GLY A 51 -6.742 -0.867 14.321 1.00 0.00 O ATOM 0 H GLY A 51 -7.677 -4.059 12.117 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.526 -2.763 13.856 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.400 -3.485 14.988 1.00 0.00 H new ATOM 697 N SER A 52 -5.518 -2.164 12.955 1.00 0.00 N ATOM 698 CA SER A 52 -4.547 -1.122 12.660 1.00 0.00 C ATOM 699 C SER A 52 -5.001 -0.291 11.466 1.00 0.00 C ATOM 700 O SER A 52 -5.774 -0.760 10.625 1.00 0.00 O ATOM 701 CB SER A 52 -3.174 -1.737 12.384 1.00 0.00 C ATOM 702 OG SER A 52 -2.630 -2.321 13.557 1.00 0.00 O ATOM 0 H SER A 52 -5.336 -3.054 12.492 1.00 0.00 H new ATOM 0 HA SER A 52 -4.470 -0.468 13.529 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.261 -2.494 11.604 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.497 -0.969 12.009 1.00 0.00 H new ATOM 0 HG SER A 52 -3.238 -3.014 13.890 1.00 0.00 H new ATOM 708 N GLN A 53 -4.525 0.942 11.396 1.00 0.00 N ATOM 709 CA GLN A 53 -4.893 1.837 10.313 1.00 0.00 C ATOM 710 C GLN A 53 -3.720 2.044 9.366 1.00 0.00 C ATOM 711 O GLN A 53 -2.650 2.492 9.776 1.00 0.00 O ATOM 712 CB GLN A 53 -5.358 3.185 10.863 1.00 0.00 C ATOM 713 CG GLN A 53 -6.417 3.070 11.944 1.00 0.00 C ATOM 714 CD GLN A 53 -6.411 4.258 12.886 1.00 0.00 C ATOM 715 OE1 GLN A 53 -6.744 5.373 12.493 1.00 0.00 O ATOM 716 NE2 GLN A 53 -6.043 4.023 14.135 1.00 0.00 N ATOM 0 H GLN A 53 -3.882 1.345 12.078 1.00 0.00 H new ATOM 0 HA GLN A 53 -5.714 1.379 9.762 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -4.498 3.720 11.265 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -5.752 3.786 10.043 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.399 2.983 11.479 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -6.252 2.156 12.515 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -5.774 3.081 14.419 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -6.028 4.784 14.814 1.00 0.00 H new ATOM 725 N CYS A 54 -3.921 1.709 8.104 1.00 0.00 N ATOM 726 CA CYS A 54 -2.898 1.917 7.094 1.00 0.00 C ATOM 727 C CYS A 54 -3.377 2.952 6.087 1.00 0.00 C ATOM 728 O CYS A 54 -4.377 2.739 5.401 1.00 0.00 O ATOM 729 CB CYS A 54 -2.558 0.602 6.384 1.00 0.00 C ATOM 730 SG CYS A 54 -0.921 -0.085 6.820 1.00 0.00 S ATOM 0 H CYS A 54 -4.783 1.292 7.754 1.00 0.00 H new ATOM 0 HA CYS A 54 -1.994 2.281 7.582 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -3.324 -0.135 6.623 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -2.596 0.764 5.307 1.00 0.00 H new ATOM 735 N GLY A 55 -2.678 4.081 6.017 1.00 0.00 N ATOM 736 CA GLY A 55 -3.038 5.131 5.077 1.00 0.00 C ATOM 737 C GLY A 55 -2.586 4.815 3.665 1.00 0.00 C ATOM 738 O GLY A 55 -1.858 5.592 3.045 1.00 0.00 O ATOM 0 H GLY A 55 -1.865 4.289 6.597 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.119 5.271 5.088 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -2.591 6.072 5.398 1.00 0.00 H new ATOM 742 N ALA A 56 -3.020 3.669 3.164 1.00 0.00 N ATOM 743 CA ALA A 56 -2.638 3.202 1.844 1.00 0.00 C ATOM 744 C ALA A 56 -3.638 2.163 1.353 1.00 0.00 C ATOM 745 O ALA A 56 -4.604 1.845 2.054 1.00 0.00 O ATOM 746 CB ALA A 56 -1.232 2.622 1.877 1.00 0.00 C ATOM 0 H ALA A 56 -3.647 3.038 3.663 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.643 4.044 1.152 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.958 2.275 0.881 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.529 3.390 2.200 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.200 1.785 2.574 1.00 0.00 H new ATOM 752 N SER A 57 -3.405 1.630 0.163 1.00 0.00 N ATOM 753 CA SER A 57 -4.299 0.647 -0.420 1.00 0.00 C ATOM 754 C SER A 57 -4.041 -0.732 0.177 1.00 0.00 C ATOM 755 O SER A 57 -2.902 -1.202 0.217 1.00 0.00 O ATOM 756 CB SER A 57 -4.113 0.614 -1.935 1.00 0.00 C ATOM 757 OG SER A 57 -3.117 1.542 -2.348 1.00 0.00 O ATOM 0 H SER A 57 -2.600 1.864 -0.418 1.00 0.00 H new ATOM 0 HA SER A 57 -5.327 0.929 -0.194 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.831 -0.391 -2.248 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.058 0.847 -2.426 1.00 0.00 H new ATOM 0 HG SER A 57 -3.229 1.739 -3.301 1.00 0.00 H new ATOM 763 N VAL A 58 -5.100 -1.370 0.653 1.00 0.00 N ATOM 764 CA VAL A 58 -4.976 -2.690 1.254 1.00 0.00 C ATOM 765 C VAL A 58 -5.355 -3.777 0.256 1.00 0.00 C ATOM 766 O VAL A 58 -6.425 -3.734 -0.345 1.00 0.00 O ATOM 767 CB VAL A 58 -5.851 -2.836 2.516 1.00 0.00 C ATOM 768 CG1 VAL A 58 -5.519 -4.125 3.260 1.00 0.00 C ATOM 769 CG2 VAL A 58 -5.683 -1.631 3.427 1.00 0.00 C ATOM 0 H VAL A 58 -6.050 -0.998 0.635 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.931 -2.804 1.544 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.894 -2.885 2.203 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.148 -4.206 4.146 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.700 -4.979 2.607 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.471 -4.113 3.559 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -6.308 -1.753 4.311 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.639 -1.546 3.730 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -5.981 -0.728 2.894 1.00 0.00 H new ATOM 779 N LYS A 59 -4.465 -4.734 0.088 1.00 0.00 N ATOM 780 CA LYS A 59 -4.693 -5.860 -0.800 1.00 0.00 C ATOM 781 C LYS A 59 -4.519 -7.162 -0.035 1.00 0.00 C ATOM 782 O LYS A 59 -4.051 -7.158 1.101 1.00 0.00 O ATOM 783 CB LYS A 59 -3.723 -5.813 -1.985 1.00 0.00 C ATOM 784 CG LYS A 59 -2.302 -5.421 -1.601 1.00 0.00 C ATOM 785 CD LYS A 59 -1.421 -5.252 -2.829 1.00 0.00 C ATOM 786 CE LYS A 59 -1.820 -4.027 -3.637 1.00 0.00 C ATOM 787 NZ LYS A 59 -0.827 -2.926 -3.504 1.00 0.00 N ATOM 0 H LYS A 59 -3.562 -4.755 0.563 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.711 -5.803 -1.184 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.703 -6.791 -2.465 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.099 -5.104 -2.722 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.321 -4.490 -1.034 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.877 -6.183 -0.948 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.379 -5.163 -2.521 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.493 -6.141 -3.455 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.919 -4.301 -4.687 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.797 -3.676 -3.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.312 -2.010 -3.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.361 -2.989 -2.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.114 -3.009 -4.256 1.00 0.00 H new ATOM 801 N CYS A 60 -4.896 -8.266 -0.648 1.00 0.00 N ATOM 802 CA CYS A 60 -4.744 -9.566 -0.016 1.00 0.00 C ATOM 803 C CYS A 60 -3.813 -10.437 -0.844 1.00 0.00 C ATOM 804 O CYS A 60 -4.034 -10.634 -2.037 1.00 0.00 O ATOM 805 CB CYS A 60 -6.105 -10.242 0.158 1.00 0.00 C ATOM 806 SG CYS A 60 -6.956 -9.800 1.707 1.00 0.00 S ATOM 0 H CYS A 60 -5.309 -8.292 -1.580 1.00 0.00 H new ATOM 0 HA CYS A 60 -4.308 -9.428 0.973 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -6.743 -9.975 -0.685 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -5.970 -11.323 0.125 1.00 0.00 H new ATOM 811 N CYS A 61 -2.765 -10.941 -0.217 1.00 0.00 N ATOM 812 CA CYS A 61 -1.777 -11.729 -0.932 1.00 0.00 C ATOM 813 C CYS A 61 -1.500 -13.051 -0.229 1.00 0.00 C ATOM 814 O CYS A 61 -1.362 -13.111 0.993 1.00 0.00 O ATOM 815 CB CYS A 61 -0.480 -10.934 -1.086 1.00 0.00 C ATOM 816 SG CYS A 61 -0.545 -9.650 -2.379 1.00 0.00 S ATOM 0 H CYS A 61 -2.577 -10.820 0.778 1.00 0.00 H new ATOM 0 HA CYS A 61 -2.181 -11.954 -1.919 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -0.239 -10.463 -0.133 1.00 0.00 H new ATOM 0 HB3 CYS A 61 0.332 -11.624 -1.315 1.00 0.00 H new ATOM 821 N LYS A 62 -1.450 -14.108 -1.020 1.00 0.00 N ATOM 822 CA LYS A 62 -1.091 -15.428 -0.539 1.00 0.00 C ATOM 823 C LYS A 62 0.243 -15.831 -1.143 1.00 0.00 C ATOM 824 O LYS A 62 0.379 -15.938 -2.366 1.00 0.00 O ATOM 825 CB LYS A 62 -2.168 -16.450 -0.909 1.00 0.00 C ATOM 826 CG LYS A 62 -2.019 -17.791 -0.211 1.00 0.00 C ATOM 827 CD LYS A 62 -3.180 -18.710 -0.548 1.00 0.00 C ATOM 828 CE LYS A 62 -2.770 -20.171 -0.509 1.00 0.00 C ATOM 829 NZ LYS A 62 -3.664 -20.970 0.365 1.00 0.00 N ATOM 0 H LYS A 62 -1.658 -14.074 -2.018 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.009 -15.402 0.548 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -3.146 -16.034 -0.668 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.147 -16.610 -1.987 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.081 -18.259 -0.510 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.970 -17.641 0.867 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.994 -18.542 0.157 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.562 -18.466 -1.539 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -2.788 -20.581 -1.519 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.744 -20.251 -0.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -3.294 -21.938 0.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.707 -20.534 1.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.618 -20.998 -0.047 1.00 0.00 H new ATOM 843 N ASP A 63 1.221 -16.031 -0.278 1.00 0.00 N ATOM 844 CA ASP A 63 2.579 -16.347 -0.695 1.00 0.00 C ATOM 845 C ASP A 63 3.414 -16.697 0.526 1.00 0.00 C ATOM 846 O ASP A 63 3.017 -16.413 1.656 1.00 0.00 O ATOM 847 CB ASP A 63 3.206 -15.167 -1.452 1.00 0.00 C ATOM 848 CG ASP A 63 3.895 -14.162 -0.542 1.00 0.00 C ATOM 849 OD1 ASP A 63 3.212 -13.565 0.319 1.00 0.00 O ATOM 850 OD2 ASP A 63 5.115 -13.959 -0.700 1.00 0.00 O ATOM 0 H ASP A 63 1.098 -15.979 0.733 1.00 0.00 H new ATOM 0 HA ASP A 63 2.551 -17.202 -1.371 1.00 0.00 H new ATOM 0 HB2 ASP A 63 3.930 -15.550 -2.171 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.429 -14.657 -2.022 1.00 0.00 H new ATOM 855 N ASP A 64 4.554 -17.318 0.303 1.00 0.00 N ATOM 856 CA ASP A 64 5.420 -17.728 1.393 1.00 0.00 C ATOM 857 C ASP A 64 6.678 -16.874 1.424 1.00 0.00 C ATOM 858 O ASP A 64 7.516 -16.943 0.527 1.00 0.00 O ATOM 859 CB ASP A 64 5.778 -19.211 1.269 1.00 0.00 C ATOM 860 CG ASP A 64 6.251 -19.599 -0.121 1.00 0.00 C ATOM 861 OD1 ASP A 64 5.459 -19.488 -1.085 1.00 0.00 O ATOM 862 OD2 ASP A 64 7.412 -20.035 -0.256 1.00 0.00 O ATOM 0 H ASP A 64 4.905 -17.551 -0.626 1.00 0.00 H new ATOM 0 HA ASP A 64 4.883 -17.584 2.331 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.558 -19.451 1.991 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.906 -19.811 1.530 1.00 0.00 H new ATOM 867 N VAL A 65 6.790 -16.056 2.458 1.00 0.00 N ATOM 868 CA VAL A 65 7.927 -15.159 2.607 1.00 0.00 C ATOM 869 C VAL A 65 8.967 -15.763 3.532 1.00 0.00 C ATOM 870 O VAL A 65 8.629 -16.486 4.472 1.00 0.00 O ATOM 871 CB VAL A 65 7.511 -13.795 3.195 1.00 0.00 C ATOM 872 CG1 VAL A 65 8.514 -12.715 2.822 1.00 0.00 C ATOM 873 CG2 VAL A 65 6.110 -13.403 2.743 1.00 0.00 C ATOM 0 H VAL A 65 6.104 -15.994 3.211 1.00 0.00 H new ATOM 0 HA VAL A 65 8.338 -15.013 1.608 1.00 0.00 H new ATOM 0 HB VAL A 65 7.500 -13.893 4.281 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.199 -11.763 3.248 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.496 -12.980 3.213 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.567 -12.627 1.737 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.846 -12.437 3.174 1.00 0.00 H new ATOM 0 HG22 VAL A 65 6.084 -13.334 1.655 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.396 -14.157 3.076 1.00 0.00 H new ATOM 883 N THR A 66 10.226 -15.474 3.265 1.00 0.00 N ATOM 884 CA THR A 66 11.291 -15.861 4.166 1.00 0.00 C ATOM 885 C THR A 66 11.602 -14.728 5.140 1.00 0.00 C ATOM 886 O THR A 66 11.659 -13.559 4.753 1.00 0.00 O ATOM 887 CB THR A 66 12.559 -16.263 3.397 1.00 0.00 C ATOM 888 OG1 THR A 66 12.285 -16.309 1.989 1.00 0.00 O ATOM 889 CG2 THR A 66 13.040 -17.620 3.867 1.00 0.00 C ATOM 0 H THR A 66 10.535 -14.973 2.432 1.00 0.00 H new ATOM 0 HA THR A 66 10.950 -16.730 4.729 1.00 0.00 H new ATOM 0 HB THR A 66 13.336 -15.522 3.586 1.00 0.00 H new ATOM 0 HG1 THR A 66 13.098 -16.564 1.506 1.00 0.00 H new ATOM 0 HG21 THR A 66 13.939 -17.898 3.317 1.00 0.00 H new ATOM 0 HG22 THR A 66 13.265 -17.577 4.933 1.00 0.00 H new ATOM 0 HG23 THR A 66 12.262 -18.363 3.690 1.00 0.00 H new ATOM 897 N ASN A 67 11.816 -15.080 6.397 1.00 0.00 N ATOM 898 CA ASN A 67 11.988 -14.091 7.456 1.00 0.00 C ATOM 899 C ASN A 67 13.389 -13.510 7.422 1.00 0.00 C ATOM 900 O ASN A 67 13.611 -12.352 7.773 1.00 0.00 O ATOM 901 CB ASN A 67 11.716 -14.738 8.819 1.00 0.00 C ATOM 902 CG ASN A 67 11.648 -13.733 9.950 1.00 0.00 C ATOM 903 OD1 ASN A 67 11.271 -12.578 9.759 1.00 0.00 O ATOM 904 ND2 ASN A 67 11.998 -14.174 11.150 1.00 0.00 N ATOM 0 H ASN A 67 11.876 -16.048 6.713 1.00 0.00 H new ATOM 0 HA ASN A 67 11.277 -13.280 7.297 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.776 -15.288 8.772 1.00 0.00 H new ATOM 0 HB3 ASN A 67 12.500 -15.464 9.033 1.00 0.00 H new ATOM 0 HD21 ASN A 67 11.960 -13.548 11.955 1.00 0.00 H new ATOM 0 HD22 ASN A 67 12.306 -15.139 11.269 1.00 0.00 H new ATOM 911 N THR A 68 14.324 -14.320 6.973 1.00 0.00 N ATOM 912 CA THR A 68 15.710 -13.899 6.845 1.00 0.00 C ATOM 913 C THR A 68 15.964 -13.263 5.481 1.00 0.00 C ATOM 914 O THR A 68 17.090 -12.897 5.151 1.00 0.00 O ATOM 915 CB THR A 68 16.659 -15.092 7.033 1.00 0.00 C ATOM 916 OG1 THR A 68 15.909 -16.317 7.022 1.00 0.00 O ATOM 917 CG2 THR A 68 17.420 -14.970 8.338 1.00 0.00 C ATOM 0 H THR A 68 14.150 -15.284 6.687 1.00 0.00 H new ATOM 0 HA THR A 68 15.902 -13.160 7.623 1.00 0.00 H new ATOM 0 HB THR A 68 17.376 -15.097 6.212 1.00 0.00 H new ATOM 0 HG1 THR A 68 16.519 -17.075 7.140 1.00 0.00 H new ATOM 0 HG21 THR A 68 18.086 -15.825 8.452 1.00 0.00 H new ATOM 0 HG22 THR A 68 18.006 -14.051 8.333 1.00 0.00 H new ATOM 0 HG23 THR A 68 16.715 -14.946 9.169 1.00 0.00 H new ATOM 925 N GLY A 69 14.900 -13.132 4.701 1.00 0.00 N ATOM 926 CA GLY A 69 15.012 -12.607 3.354 1.00 0.00 C ATOM 927 C GLY A 69 15.295 -11.118 3.318 1.00 0.00 C ATOM 928 O GLY A 69 16.424 -10.698 3.065 1.00 0.00 O ATOM 0 H GLY A 69 13.952 -13.383 4.981 1.00 0.00 H new ATOM 0 HA2 GLY A 69 15.808 -13.135 2.830 1.00 0.00 H new ATOM 0 HA3 GLY A 69 14.087 -12.808 2.814 1.00 0.00 H new ATOM 932 N ASN A 70 14.274 -10.315 3.577 1.00 0.00 N ATOM 933 CA ASN A 70 14.409 -8.865 3.523 1.00 0.00 C ATOM 934 C ASN A 70 14.108 -8.257 4.889 1.00 0.00 C ATOM 935 O ASN A 70 13.788 -8.976 5.834 1.00 0.00 O ATOM 936 CB ASN A 70 13.466 -8.288 2.459 1.00 0.00 C ATOM 937 CG ASN A 70 14.044 -7.073 1.753 1.00 0.00 C ATOM 938 OD1 ASN A 70 14.135 -5.991 2.334 1.00 0.00 O ATOM 939 ND2 ASN A 70 14.423 -7.233 0.492 1.00 0.00 N ATOM 0 H ASN A 70 13.341 -10.642 3.827 1.00 0.00 H new ATOM 0 HA ASN A 70 15.435 -8.615 3.252 1.00 0.00 H new ATOM 0 HB2 ASN A 70 13.244 -9.059 1.721 1.00 0.00 H new ATOM 0 HB3 ASN A 70 12.521 -8.014 2.928 1.00 0.00 H new ATOM 0 HD21 ASN A 70 14.805 -6.444 -0.030 1.00 0.00 H new ATOM 0 HD22 ASN A 70 14.332 -8.145 0.044 1.00 0.00 H new ATOM 946 N SER A 71 14.193 -6.936 4.986 1.00 0.00 N ATOM 947 CA SER A 71 13.932 -6.232 6.238 1.00 0.00 C ATOM 948 C SER A 71 12.432 -6.014 6.434 1.00 0.00 C ATOM 949 O SER A 71 12.001 -5.302 7.341 1.00 0.00 O ATOM 950 CB SER A 71 14.659 -4.893 6.229 1.00 0.00 C ATOM 951 OG SER A 71 15.218 -4.640 4.950 1.00 0.00 O ATOM 0 H SER A 71 14.442 -6.326 4.207 1.00 0.00 H new ATOM 0 HA SER A 71 14.298 -6.839 7.066 1.00 0.00 H new ATOM 0 HB2 SER A 71 13.966 -4.094 6.494 1.00 0.00 H new ATOM 0 HB3 SER A 71 15.446 -4.895 6.983 1.00 0.00 H new ATOM 0 HG SER A 71 14.501 -4.431 4.315 1.00 0.00 H new ATOM 957 N PHE A 72 11.654 -6.615 5.549 1.00 0.00 N ATOM 958 CA PHE A 72 10.204 -6.580 5.621 1.00 0.00 C ATOM 959 C PHE A 72 9.651 -7.781 4.868 1.00 0.00 C ATOM 960 O PHE A 72 10.402 -8.481 4.182 1.00 0.00 O ATOM 961 CB PHE A 72 9.650 -5.268 5.037 1.00 0.00 C ATOM 962 CG PHE A 72 9.601 -5.224 3.533 1.00 0.00 C ATOM 963 CD1 PHE A 72 10.764 -5.199 2.784 1.00 0.00 C ATOM 964 CD2 PHE A 72 8.384 -5.205 2.874 1.00 0.00 C ATOM 965 CE1 PHE A 72 10.715 -5.151 1.404 1.00 0.00 C ATOM 966 CE2 PHE A 72 8.328 -5.161 1.497 1.00 0.00 C ATOM 967 CZ PHE A 72 9.494 -5.134 0.760 1.00 0.00 C ATOM 0 H PHE A 72 12.014 -7.144 4.755 1.00 0.00 H new ATOM 0 HA PHE A 72 9.893 -6.624 6.665 1.00 0.00 H new ATOM 0 HB2 PHE A 72 8.644 -5.109 5.425 1.00 0.00 H new ATOM 0 HB3 PHE A 72 10.263 -4.440 5.392 1.00 0.00 H new ATOM 0 HD1 PHE A 72 11.721 -5.217 3.284 1.00 0.00 H new ATOM 0 HD2 PHE A 72 7.468 -5.225 3.445 1.00 0.00 H new ATOM 0 HE1 PHE A 72 11.630 -5.127 0.830 1.00 0.00 H new ATOM 0 HE2 PHE A 72 7.372 -5.148 0.995 1.00 0.00 H new ATOM 0 HZ PHE A 72 9.452 -5.100 -0.319 1.00 0.00 H new ATOM 977 N LEU A 73 8.360 -8.028 5.000 1.00 0.00 N ATOM 978 CA LEU A 73 7.745 -9.142 4.303 1.00 0.00 C ATOM 979 C LEU A 73 7.490 -8.773 2.851 1.00 0.00 C ATOM 980 O LEU A 73 6.454 -8.199 2.518 1.00 0.00 O ATOM 981 CB LEU A 73 6.425 -9.542 4.972 1.00 0.00 C ATOM 982 CG LEU A 73 6.344 -9.265 6.474 1.00 0.00 C ATOM 983 CD1 LEU A 73 5.570 -7.982 6.739 1.00 0.00 C ATOM 984 CD2 LEU A 73 5.699 -10.436 7.200 1.00 0.00 C ATOM 0 H LEU A 73 7.723 -7.479 5.577 1.00 0.00 H new ATOM 0 HA LEU A 73 8.429 -9.990 4.347 1.00 0.00 H new ATOM 0 HB2 LEU A 73 5.611 -9.013 4.477 1.00 0.00 H new ATOM 0 HB3 LEU A 73 6.260 -10.607 4.806 1.00 0.00 H new ATOM 0 HG LEU A 73 7.358 -9.141 6.855 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.522 -7.801 7.813 1.00 0.00 H new ATOM 0 HD12 LEU A 73 6.073 -7.147 6.252 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.559 -8.078 6.342 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.650 -10.220 8.267 1.00 0.00 H new ATOM 0 HD22 LEU A 73 4.691 -10.592 6.815 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.293 -11.336 7.039 1.00 0.00 H new ATOM 996 N ILE A 74 8.445 -9.097 1.996 1.00 0.00 N ATOM 997 CA ILE A 74 8.292 -8.866 0.573 1.00 0.00 C ATOM 998 C ILE A 74 7.354 -9.916 -0.009 1.00 0.00 C ATOM 999 O ILE A 74 7.446 -11.098 0.322 1.00 0.00 O ATOM 1000 CB ILE A 74 9.660 -8.884 -0.160 1.00 0.00 C ATOM 1001 CG1 ILE A 74 9.479 -8.573 -1.648 1.00 0.00 C ATOM 1002 CG2 ILE A 74 10.368 -10.218 0.030 1.00 0.00 C ATOM 1003 CD1 ILE A 74 10.380 -7.467 -2.149 1.00 0.00 C ATOM 0 H ILE A 74 9.333 -9.520 2.264 1.00 0.00 H new ATOM 0 HA ILE A 74 7.864 -7.874 0.426 1.00 0.00 H new ATOM 0 HB ILE A 74 10.287 -8.108 0.280 1.00 0.00 H new ATOM 0 HG12 ILE A 74 9.672 -9.477 -2.226 1.00 0.00 H new ATOM 0 HG13 ILE A 74 8.441 -8.295 -1.829 1.00 0.00 H new ATOM 0 HG21 ILE A 74 11.323 -10.201 -0.495 1.00 0.00 H new ATOM 0 HG22 ILE A 74 10.540 -10.390 1.092 1.00 0.00 H new ATOM 0 HG23 ILE A 74 9.748 -11.019 -0.372 1.00 0.00 H new ATOM 0 HD11 ILE A 74 10.197 -7.301 -3.211 1.00 0.00 H new ATOM 0 HD12 ILE A 74 10.172 -6.550 -1.597 1.00 0.00 H new ATOM 0 HD13 ILE A 74 11.422 -7.751 -2.001 1.00 0.00 H new ATOM 1015 N ILE A 75 6.442 -9.486 -0.860 1.00 0.00 N ATOM 1016 CA ILE A 75 5.435 -10.386 -1.383 1.00 0.00 C ATOM 1017 C ILE A 75 5.895 -11.007 -2.687 1.00 0.00 C ATOM 1018 O ILE A 75 6.322 -10.308 -3.605 1.00 0.00 O ATOM 1019 CB ILE A 75 4.084 -9.678 -1.612 1.00 0.00 C ATOM 1020 CG1 ILE A 75 3.858 -8.590 -0.561 1.00 0.00 C ATOM 1021 CG2 ILE A 75 2.949 -10.689 -1.582 1.00 0.00 C ATOM 1022 CD1 ILE A 75 2.690 -7.680 -0.875 1.00 0.00 C ATOM 0 H ILE A 75 6.378 -8.527 -1.201 1.00 0.00 H new ATOM 0 HA ILE A 75 5.293 -11.163 -0.632 1.00 0.00 H new ATOM 0 HB ILE A 75 4.105 -9.204 -2.594 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.691 -9.061 0.408 1.00 0.00 H new ATOM 0 HG13 ILE A 75 4.763 -7.989 -0.472 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.001 -10.177 -1.745 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.101 -11.430 -2.367 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.931 -11.187 -0.612 1.00 0.00 H new ATOM 0 HD11 ILE A 75 2.589 -6.933 -0.088 1.00 0.00 H new ATOM 0 HD12 ILE A 75 2.864 -7.181 -1.828 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.775 -8.270 -0.935 1.00 0.00 H new ATOM 1034 N ASN A 76 5.808 -12.331 -2.745 1.00 0.00 N ATOM 1035 CA ASN A 76 6.149 -13.084 -3.945 1.00 0.00 C ATOM 1036 C ASN A 76 5.200 -12.732 -5.083 1.00 0.00 C ATOM 1037 O ASN A 76 5.506 -12.968 -6.250 1.00 0.00 O ATOM 1038 CB ASN A 76 6.069 -14.588 -3.672 1.00 0.00 C ATOM 1039 CG ASN A 76 7.393 -15.171 -3.227 1.00 0.00 C ATOM 1040 OD1 ASN A 76 8.228 -15.548 -4.049 1.00 0.00 O ATOM 1041 ND2 ASN A 76 7.586 -15.255 -1.923 1.00 0.00 N ATOM 0 H ASN A 76 5.500 -12.911 -1.964 1.00 0.00 H new ATOM 0 HA ASN A 76 7.168 -12.821 -4.230 1.00 0.00 H new ATOM 0 HB2 ASN A 76 5.318 -14.775 -2.904 1.00 0.00 H new ATOM 0 HB3 ASN A 76 5.736 -15.100 -4.575 1.00 0.00 H new ATOM 0 HD21 ASN A 76 8.456 -15.645 -1.560 1.00 0.00 H new ATOM 0 HD22 ASN A 76 6.865 -14.930 -1.279 1.00 0.00 H new ATOM 1048 N ALA A 77 4.036 -12.190 -4.712 1.00 0.00 N ATOM 1049 CA ALA A 77 2.996 -11.813 -5.666 1.00 0.00 C ATOM 1050 C ALA A 77 2.493 -13.026 -6.435 1.00 0.00 C ATOM 1051 O ALA A 77 2.008 -12.912 -7.560 1.00 0.00 O ATOM 1052 CB ALA A 77 3.496 -10.731 -6.615 1.00 0.00 C ATOM 0 H ALA A 77 3.791 -12.001 -3.740 1.00 0.00 H new ATOM 0 HA ALA A 77 2.156 -11.405 -5.104 1.00 0.00 H new ATOM 0 HB1 ALA A 77 2.704 -10.467 -7.316 1.00 0.00 H new ATOM 0 HB2 ALA A 77 3.783 -9.849 -6.042 1.00 0.00 H new ATOM 0 HB3 ALA A 77 4.360 -11.102 -7.167 1.00 0.00 H new ATOM 1058 N ALA A 78 2.615 -14.194 -5.817 1.00 0.00 N ATOM 1059 CA ALA A 78 2.141 -15.426 -6.419 1.00 0.00 C ATOM 1060 C ALA A 78 0.623 -15.410 -6.532 1.00 0.00 C ATOM 1061 O ALA A 78 0.068 -15.549 -7.618 1.00 0.00 O ATOM 1062 CB ALA A 78 2.607 -16.624 -5.612 1.00 0.00 C ATOM 0 H ALA A 78 3.040 -14.310 -4.897 1.00 0.00 H new ATOM 0 HA ALA A 78 2.559 -15.507 -7.422 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.243 -17.540 -6.077 1.00 0.00 H new ATOM 0 HB2 ALA A 78 3.696 -16.641 -5.582 1.00 0.00 H new ATOM 0 HB3 ALA A 78 2.217 -16.553 -4.597 1.00 0.00 H new ATOM 1068 N ASN A 79 -0.039 -15.223 -5.400 1.00 0.00 N ATOM 1069 CA ASN A 79 -1.495 -15.155 -5.372 1.00 0.00 C ATOM 1070 C ASN A 79 -1.941 -13.851 -4.726 1.00 0.00 C ATOM 1071 O ASN A 79 -2.211 -13.806 -3.531 1.00 0.00 O ATOM 1072 CB ASN A 79 -2.081 -16.333 -4.584 1.00 0.00 C ATOM 1073 CG ASN A 79 -1.409 -17.656 -4.898 1.00 0.00 C ATOM 1074 OD1 ASN A 79 -1.825 -18.383 -5.798 1.00 0.00 O ATOM 1075 ND2 ASN A 79 -0.358 -17.974 -4.155 1.00 0.00 N ATOM 0 H ASN A 79 0.407 -15.116 -4.489 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.857 -15.202 -6.399 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -1.988 -16.130 -3.517 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.146 -16.413 -4.802 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.137 -18.850 -4.321 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -0.045 -17.343 -3.418 1.00 0.00 H new ATOM 1082 N CYS A 80 -1.999 -12.787 -5.501 1.00 0.00 N ATOM 1083 CA CYS A 80 -2.387 -11.494 -4.962 1.00 0.00 C ATOM 1084 C CYS A 80 -3.696 -11.016 -5.579 1.00 0.00 C ATOM 1085 O CYS A 80 -3.909 -11.138 -6.785 1.00 0.00 O ATOM 1086 CB CYS A 80 -1.280 -10.469 -5.206 1.00 0.00 C ATOM 1087 SG CYS A 80 0.118 -10.605 -4.043 1.00 0.00 S ATOM 0 H CYS A 80 -1.785 -12.788 -6.498 1.00 0.00 H new ATOM 0 HA CYS A 80 -2.539 -11.603 -3.888 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -0.907 -10.586 -6.223 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -1.703 -9.467 -5.135 1.00 0.00 H new ATOM 1092 N VAL A 81 -4.582 -10.503 -4.740 1.00 0.00 N ATOM 1093 CA VAL A 81 -5.833 -9.925 -5.200 1.00 0.00 C ATOM 1094 C VAL A 81 -5.946 -8.486 -4.717 1.00 0.00 C ATOM 1095 O VAL A 81 -5.735 -8.202 -3.537 1.00 0.00 O ATOM 1096 CB VAL A 81 -7.068 -10.716 -4.710 1.00 0.00 C ATOM 1097 CG1 VAL A 81 -7.630 -11.574 -5.830 1.00 0.00 C ATOM 1098 CG2 VAL A 81 -6.735 -11.570 -3.498 1.00 0.00 C ATOM 0 H VAL A 81 -4.455 -10.476 -3.728 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.819 -9.966 -6.289 1.00 0.00 H new ATOM 0 HB VAL A 81 -7.827 -9.994 -4.409 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -8.499 -12.123 -5.467 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -7.926 -10.937 -6.663 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -6.869 -12.279 -6.165 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -7.625 -12.113 -3.180 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.951 -12.281 -3.758 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.390 -10.930 -2.686 1.00 0.00 H new ATOM 1108 N ALA A 82 -6.268 -7.588 -5.633 1.00 0.00 N ATOM 1109 CA ALA A 82 -6.380 -6.179 -5.309 1.00 0.00 C ATOM 1110 C ALA A 82 -7.691 -5.620 -5.836 1.00 0.00 C ATOM 1111 O ALA A 82 -8.506 -5.152 -5.016 1.00 0.00 O ATOM 1112 CB ALA A 82 -5.198 -5.406 -5.878 1.00 0.00 C ATOM 1113 OXT ALA A 82 -7.905 -5.660 -7.066 1.00 0.00 O ATOM 0 H ALA A 82 -6.457 -7.813 -6.610 1.00 0.00 H new ATOM 0 HA ALA A 82 -6.369 -6.069 -4.225 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -5.298 -4.350 -5.626 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -4.272 -5.794 -5.455 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.177 -5.519 -6.962 1.00 0.00 H new TER 1119 ALA A 82