USER MOD reduce.3.24.130724 H: found=0, std=0, add=625, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 629 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 25 THR OG1 : rot 180:sc= 0.0174 USER MOD Set 1.2: A 80 THR OG1 : rot 77:sc= 0.516 USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -97:sc= -0.0235 (180deg=-0.206) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc=-0.00193 USER MOD Single : A 20 THR OG1 : rot 83:sc= 0.841 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 165:sc= -0.409 USER MOD Single : A 34 ASN : amide:sc= -0.195 X(o=-0.2,f=-0.15) USER MOD Single : A 37 TYR OH : rot 30:sc= -0.708 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0.16) USER MOD Single : A 40 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00262) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -1.43 K(o=-1.4,f=-9.2!) USER MOD Single : A 45 LYS NZ :NH3+ -105:sc= 0.00969 (180deg=-0.0189) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot -44:sc= 1.19 USER MOD Single : A 57 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.0908) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 48:sc= 0.121 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.0041) USER MOD Single : A 75 ASN : amide:sc= -4.66 K(o=-4.7,f=-19!) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot -80:sc= 0.32 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -6.472 -9.826 -9.829 1.00 0.00 N ATOM 2 CA ALA A 2 -6.322 -9.513 -8.380 1.00 0.00 C ATOM 3 C ALA A 2 -5.329 -8.362 -8.205 1.00 0.00 C ATOM 4 O ALA A 2 -4.164 -8.573 -7.923 1.00 0.00 O ATOM 5 CB ALA A 2 -5.807 -10.750 -7.642 1.00 0.00 C ATOM 0 HA ALA A 2 -7.289 -9.222 -7.970 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -5.697 -10.522 -6.582 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -6.516 -11.569 -7.765 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -4.840 -11.042 -8.052 1.00 0.00 H new ATOM 13 N GLN A 3 -5.784 -7.146 -8.372 1.00 0.00 N ATOM 14 CA GLN A 3 -4.874 -5.972 -8.216 1.00 0.00 C ATOM 15 C GLN A 3 -5.685 -4.681 -8.309 1.00 0.00 C ATOM 16 O GLN A 3 -6.745 -4.644 -8.907 1.00 0.00 O ATOM 17 CB GLN A 3 -3.817 -5.987 -9.324 1.00 0.00 C ATOM 18 CG GLN A 3 -4.499 -6.121 -10.688 1.00 0.00 C ATOM 19 CD GLN A 3 -3.597 -5.522 -11.769 1.00 0.00 C ATOM 20 OE1 GLN A 3 -3.697 -4.352 -12.080 1.00 0.00 O ATOM 21 NE2 GLN A 3 -2.716 -6.282 -12.361 1.00 0.00 N ATOM 0 H GLN A 3 -6.749 -6.916 -8.610 1.00 0.00 H new ATOM 0 HA GLN A 3 -4.382 -6.026 -7.245 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -3.228 -5.071 -9.290 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -3.126 -6.816 -9.169 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -4.698 -7.170 -10.906 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -5.461 -5.609 -10.677 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -2.632 -7.264 -12.100 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -2.111 -5.893 -13.085 1.00 0.00 H new ATOM 30 N LYS A 4 -5.194 -3.621 -7.719 1.00 0.00 N ATOM 31 CA LYS A 4 -5.930 -2.324 -7.766 1.00 0.00 C ATOM 32 C LYS A 4 -4.938 -1.165 -7.650 1.00 0.00 C ATOM 33 O LYS A 4 -3.996 -1.220 -6.881 1.00 0.00 O ATOM 34 CB LYS A 4 -6.923 -2.260 -6.603 1.00 0.00 C ATOM 35 CG LYS A 4 -8.286 -2.777 -7.066 1.00 0.00 C ATOM 36 CD LYS A 4 -9.392 -2.041 -6.303 1.00 0.00 C ATOM 37 CE LYS A 4 -9.752 -0.743 -7.033 1.00 0.00 C ATOM 38 NZ LYS A 4 -11.064 -0.908 -7.720 1.00 0.00 N ATOM 0 H LYS A 4 -4.313 -3.599 -7.206 1.00 0.00 H new ATOM 0 HA LYS A 4 -6.467 -2.248 -8.711 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -6.560 -2.859 -5.768 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -7.014 -1.235 -6.245 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -8.402 -2.621 -8.138 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.360 -3.850 -6.891 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -10.273 -2.677 -6.218 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -9.060 -1.818 -5.289 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -9.802 0.084 -6.324 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -8.978 -0.495 -7.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -11.309 -0.027 -8.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -11.001 -1.686 -8.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -11.799 -1.126 -7.017 1.00 0.00 H new ATOM 52 N THR A 5 -5.148 -0.115 -8.403 1.00 0.00 N ATOM 53 CA THR A 5 -4.226 1.056 -8.339 1.00 0.00 C ATOM 54 C THR A 5 -4.728 2.034 -7.276 1.00 0.00 C ATOM 55 O THR A 5 -5.920 2.216 -7.104 1.00 0.00 O ATOM 56 CB THR A 5 -4.190 1.755 -9.700 1.00 0.00 C ATOM 57 OG1 THR A 5 -3.927 0.797 -10.716 1.00 0.00 O ATOM 58 CG2 THR A 5 -3.090 2.818 -9.701 1.00 0.00 C ATOM 0 H THR A 5 -5.921 -0.020 -9.061 1.00 0.00 H new ATOM 0 HA THR A 5 -3.222 0.717 -8.081 1.00 0.00 H new ATOM 0 HB THR A 5 -5.152 2.231 -9.890 1.00 0.00 H new ATOM 0 HG1 THR A 5 -3.905 1.243 -11.588 1.00 0.00 H new ATOM 0 HG21 THR A 5 -3.065 3.315 -10.671 1.00 0.00 H new ATOM 0 HG22 THR A 5 -3.293 3.553 -8.922 1.00 0.00 H new ATOM 0 HG23 THR A 5 -2.127 2.345 -9.511 1.00 0.00 H new ATOM 66 N PHE A 6 -3.829 2.658 -6.558 1.00 0.00 N ATOM 67 CA PHE A 6 -4.249 3.621 -5.499 1.00 0.00 C ATOM 68 C PHE A 6 -3.563 4.968 -5.726 1.00 0.00 C ATOM 69 O PHE A 6 -2.665 5.089 -6.539 1.00 0.00 O ATOM 70 CB PHE A 6 -3.852 3.071 -4.129 1.00 0.00 C ATOM 71 CG PHE A 6 -4.661 1.831 -3.833 1.00 0.00 C ATOM 72 CD1 PHE A 6 -4.416 0.648 -4.541 1.00 0.00 C ATOM 73 CD2 PHE A 6 -5.656 1.865 -2.850 1.00 0.00 C ATOM 74 CE1 PHE A 6 -5.167 -0.501 -4.265 1.00 0.00 C ATOM 75 CE2 PHE A 6 -6.407 0.716 -2.576 1.00 0.00 C ATOM 76 CZ PHE A 6 -6.163 -0.467 -3.282 1.00 0.00 C ATOM 0 H PHE A 6 -2.821 2.541 -6.661 1.00 0.00 H new ATOM 0 HA PHE A 6 -5.330 3.756 -5.540 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -2.788 2.836 -4.113 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -4.024 3.823 -3.359 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -3.648 0.622 -5.300 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -5.844 2.777 -2.303 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -4.978 -1.414 -4.811 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -7.176 0.743 -1.818 1.00 0.00 H new ATOM 0 HZ PHE A 6 -6.743 -1.353 -3.069 1.00 0.00 H new ATOM 86 N LYS A 7 -3.979 5.980 -5.009 1.00 0.00 N ATOM 87 CA LYS A 7 -3.358 7.327 -5.170 1.00 0.00 C ATOM 88 C LYS A 7 -2.879 7.830 -3.807 1.00 0.00 C ATOM 89 O LYS A 7 -3.577 7.715 -2.816 1.00 0.00 O ATOM 90 CB LYS A 7 -4.390 8.302 -5.741 1.00 0.00 C ATOM 91 CG LYS A 7 -3.670 9.423 -6.494 1.00 0.00 C ATOM 92 CD LYS A 7 -3.112 8.879 -7.810 1.00 0.00 C ATOM 93 CE LYS A 7 -4.114 9.136 -8.937 1.00 0.00 C ATOM 94 NZ LYS A 7 -3.996 8.062 -9.963 1.00 0.00 N ATOM 0 H LYS A 7 -4.726 5.930 -4.316 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.511 7.258 -5.852 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.070 7.777 -6.412 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.995 8.720 -4.937 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.359 10.244 -6.691 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.862 9.825 -5.883 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.160 9.359 -8.039 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -2.917 7.810 -7.720 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.128 9.162 -8.537 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -3.925 10.109 -9.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -3.387 8.389 -10.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.579 7.213 -9.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -4.939 7.833 -10.336 1.00 0.00 H new ATOM 108 N VAL A 8 -1.694 8.382 -3.750 1.00 0.00 N ATOM 109 CA VAL A 8 -1.162 8.891 -2.451 1.00 0.00 C ATOM 110 C VAL A 8 -1.745 10.279 -2.174 1.00 0.00 C ATOM 111 O VAL A 8 -1.443 11.237 -2.863 1.00 0.00 O ATOM 112 CB VAL A 8 0.368 8.981 -2.512 1.00 0.00 C ATOM 113 CG1 VAL A 8 0.918 9.222 -1.106 1.00 0.00 C ATOM 114 CG2 VAL A 8 0.943 7.671 -3.058 1.00 0.00 C ATOM 0 H VAL A 8 -1.071 8.502 -4.549 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.447 8.206 -1.652 1.00 0.00 H new ATOM 0 HB VAL A 8 0.653 9.804 -3.168 1.00 0.00 H new ATOM 0 HG11 VAL A 8 2.005 9.286 -1.147 1.00 0.00 H new ATOM 0 HG12 VAL A 8 0.514 10.155 -0.712 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.627 8.397 -0.455 1.00 0.00 H new ATOM 0 HG21 VAL A 8 2.030 7.740 -3.099 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.656 6.847 -2.404 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.552 7.492 -4.060 1.00 0.00 H new ATOM 124 N THR A 9 -2.581 10.392 -1.173 1.00 0.00 N ATOM 125 CA THR A 9 -3.194 11.712 -0.843 1.00 0.00 C ATOM 126 C THR A 9 -2.707 12.205 0.529 1.00 0.00 C ATOM 127 O THR A 9 -2.916 13.349 0.886 1.00 0.00 O ATOM 128 CB THR A 9 -4.719 11.569 -0.817 1.00 0.00 C ATOM 129 OG1 THR A 9 -5.154 10.956 -2.022 1.00 0.00 O ATOM 130 CG2 THR A 9 -5.361 12.951 -0.684 1.00 0.00 C ATOM 0 H THR A 9 -2.866 9.622 -0.568 1.00 0.00 H new ATOM 0 HA THR A 9 -2.899 12.436 -1.602 1.00 0.00 H new ATOM 0 HB THR A 9 -5.013 10.952 0.032 1.00 0.00 H new ATOM 0 HG1 THR A 9 -6.129 10.862 -2.007 1.00 0.00 H new ATOM 0 HG21 THR A 9 -6.446 12.848 -0.666 1.00 0.00 H new ATOM 0 HG22 THR A 9 -5.025 13.421 0.241 1.00 0.00 H new ATOM 0 HG23 THR A 9 -5.070 13.571 -1.532 1.00 0.00 H new ATOM 138 N ALA A 10 -2.064 11.357 1.303 1.00 0.00 N ATOM 139 CA ALA A 10 -1.573 11.787 2.649 1.00 0.00 C ATOM 140 C ALA A 10 -0.621 12.979 2.503 1.00 0.00 C ATOM 141 O ALA A 10 0.166 13.046 1.578 1.00 0.00 O ATOM 142 CB ALA A 10 -0.832 10.624 3.313 1.00 0.00 C ATOM 0 H ALA A 10 -1.860 10.388 1.058 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.424 12.082 3.263 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.473 10.934 4.294 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.510 9.778 3.426 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.015 10.331 2.693 1.00 0.00 H new ATOM 148 N ASP A 11 -0.694 13.919 3.412 1.00 0.00 N ATOM 149 CA ASP A 11 0.198 15.114 3.336 1.00 0.00 C ATOM 150 C ASP A 11 1.655 14.681 3.511 1.00 0.00 C ATOM 151 O ASP A 11 2.535 15.138 2.806 1.00 0.00 O ATOM 152 CB ASP A 11 -0.177 16.103 4.443 1.00 0.00 C ATOM 153 CG ASP A 11 -0.168 15.388 5.797 1.00 0.00 C ATOM 154 OD1 ASP A 11 0.896 15.291 6.385 1.00 0.00 O ATOM 155 OD2 ASP A 11 -1.225 14.950 6.220 1.00 0.00 O ATOM 0 H ASP A 11 -1.335 13.909 4.205 1.00 0.00 H new ATOM 0 HA ASP A 11 0.078 15.593 2.364 1.00 0.00 H new ATOM 0 HB2 ASP A 11 0.527 16.935 4.455 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.164 16.524 4.249 1.00 0.00 H new ATOM 160 N SER A 12 1.914 13.802 4.446 1.00 0.00 N ATOM 161 CA SER A 12 3.312 13.333 4.673 1.00 0.00 C ATOM 162 C SER A 12 3.717 12.381 3.546 1.00 0.00 C ATOM 163 O SER A 12 4.867 12.325 3.153 1.00 0.00 O ATOM 164 CB SER A 12 3.395 12.600 6.012 1.00 0.00 C ATOM 165 OG SER A 12 2.739 11.345 5.900 1.00 0.00 O ATOM 0 H SER A 12 1.215 13.389 5.063 1.00 0.00 H new ATOM 0 HA SER A 12 3.985 14.190 4.687 1.00 0.00 H new ATOM 0 HB2 SER A 12 4.437 12.455 6.296 1.00 0.00 H new ATOM 0 HB3 SER A 12 2.931 13.198 6.797 1.00 0.00 H new ATOM 0 HG SER A 12 2.791 10.871 6.756 1.00 0.00 H new ATOM 171 N GLY A 13 2.777 11.633 3.028 1.00 0.00 N ATOM 172 CA GLY A 13 3.093 10.677 1.926 1.00 0.00 C ATOM 173 C GLY A 13 3.005 9.245 2.452 1.00 0.00 C ATOM 174 O GLY A 13 2.120 8.910 3.217 1.00 0.00 O ATOM 0 H GLY A 13 1.800 11.644 3.322 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.396 10.815 1.099 1.00 0.00 H new ATOM 0 HA3 GLY A 13 4.092 10.872 1.537 1.00 0.00 H new ATOM 178 N ILE A 14 3.916 8.397 2.047 1.00 0.00 N ATOM 179 CA ILE A 14 3.894 6.983 2.518 1.00 0.00 C ATOM 180 C ILE A 14 5.226 6.646 3.193 1.00 0.00 C ATOM 181 O ILE A 14 6.110 6.071 2.585 1.00 0.00 O ATOM 182 CB ILE A 14 3.675 6.051 1.324 1.00 0.00 C ATOM 183 CG1 ILE A 14 2.416 6.487 0.566 1.00 0.00 C ATOM 184 CG2 ILE A 14 3.498 4.615 1.822 1.00 0.00 C ATOM 185 CD1 ILE A 14 2.255 5.638 -0.697 1.00 0.00 C ATOM 0 H ILE A 14 4.677 8.626 1.407 1.00 0.00 H new ATOM 0 HA ILE A 14 3.083 6.852 3.234 1.00 0.00 H new ATOM 0 HB ILE A 14 4.538 6.100 0.660 1.00 0.00 H new ATOM 0 HG12 ILE A 14 1.539 6.377 1.204 1.00 0.00 H new ATOM 0 HG13 ILE A 14 2.487 7.542 0.300 1.00 0.00 H new ATOM 0 HG21 ILE A 14 3.342 3.952 0.971 1.00 0.00 H new ATOM 0 HG22 ILE A 14 4.391 4.305 2.365 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.635 4.564 2.485 1.00 0.00 H new ATOM 0 HD11 ILE A 14 1.359 5.950 -1.234 1.00 0.00 H new ATOM 0 HD12 ILE A 14 3.127 5.770 -1.338 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.164 4.588 -0.420 1.00 0.00 H new ATOM 218 N ALA A 16 7.282 5.427 7.137 1.00 0.00 N ATOM 219 CA ALA A 16 7.169 4.300 8.118 1.00 0.00 C ATOM 220 C ALA A 16 5.778 4.231 8.770 1.00 0.00 C ATOM 221 O ALA A 16 5.291 3.155 9.052 1.00 0.00 O ATOM 222 CB ALA A 16 8.226 4.477 9.209 1.00 0.00 C ATOM 0 HA ALA A 16 7.325 3.369 7.572 1.00 0.00 H new ATOM 0 HB1 ALA A 16 8.149 3.660 9.926 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.218 4.472 8.758 1.00 0.00 H new ATOM 0 HB3 ALA A 16 8.065 5.426 9.721 1.00 0.00 H new ATOM 228 N ARG A 17 5.148 5.349 9.043 1.00 0.00 N ATOM 229 CA ARG A 17 3.804 5.304 9.711 1.00 0.00 C ATOM 230 C ARG A 17 2.790 4.529 8.840 1.00 0.00 C ATOM 231 O ARG A 17 2.281 3.512 9.274 1.00 0.00 O ATOM 232 CB ARG A 17 3.302 6.725 9.972 1.00 0.00 C ATOM 233 CG ARG A 17 3.747 7.185 11.367 1.00 0.00 C ATOM 234 CD ARG A 17 2.562 7.136 12.334 1.00 0.00 C ATOM 235 NE ARG A 17 2.580 5.844 13.077 1.00 0.00 N ATOM 236 CZ ARG A 17 1.857 5.702 14.155 1.00 0.00 C ATOM 237 NH1 ARG A 17 0.555 5.700 14.072 1.00 0.00 N ATOM 238 NH2 ARG A 17 2.437 5.559 15.315 1.00 0.00 N ATOM 0 H ARG A 17 5.500 6.283 8.835 1.00 0.00 H new ATOM 0 HA ARG A 17 3.906 4.784 10.664 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.692 7.404 9.213 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.215 6.756 9.898 1.00 0.00 H new ATOM 0 HG2 ARG A 17 4.551 6.546 11.731 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.144 8.199 11.316 1.00 0.00 H new ATOM 0 HD2 ARG A 17 2.615 7.971 13.033 1.00 0.00 H new ATOM 0 HD3 ARG A 17 1.626 7.239 11.785 1.00 0.00 H new ATOM 0 HE ARG A 17 3.157 5.071 12.744 1.00 0.00 H new ATOM 0 HH11 ARG A 17 0.102 5.809 13.165 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -0.010 5.589 14.914 1.00 0.00 H new ATOM 0 HH21 ARG A 17 3.455 5.558 15.380 1.00 0.00 H new ATOM 0 HH22 ARG A 17 1.872 5.448 16.157 1.00 0.00 H new ATOM 252 N PRO A 18 2.517 5.002 7.633 1.00 0.00 N ATOM 253 CA PRO A 18 1.567 4.313 6.736 1.00 0.00 C ATOM 254 C PRO A 18 2.143 2.981 6.236 1.00 0.00 C ATOM 255 O PRO A 18 1.430 2.163 5.686 1.00 0.00 O ATOM 256 CB PRO A 18 1.366 5.302 5.583 1.00 0.00 C ATOM 257 CG PRO A 18 2.597 6.232 5.597 1.00 0.00 C ATOM 258 CD PRO A 18 3.117 6.225 7.044 1.00 0.00 C ATOM 0 HA PRO A 18 0.631 4.056 7.233 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.284 4.779 4.630 1.00 0.00 H new ATOM 0 HB3 PRO A 18 0.446 5.871 5.714 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.362 5.877 4.906 1.00 0.00 H new ATOM 0 HG3 PRO A 18 2.328 7.241 5.284 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.206 6.191 7.077 1.00 0.00 H new ATOM 0 HD3 PRO A 18 2.809 7.121 7.584 1.00 0.00 H new ATOM 266 N ALA A 19 3.420 2.749 6.435 1.00 0.00 N ATOM 267 CA ALA A 19 4.029 1.464 5.985 1.00 0.00 C ATOM 268 C ALA A 19 3.746 0.384 7.033 1.00 0.00 C ATOM 269 O ALA A 19 3.647 -0.787 6.717 1.00 0.00 O ATOM 270 CB ALA A 19 5.540 1.640 5.826 1.00 0.00 C ATOM 0 H ALA A 19 4.063 3.397 6.890 1.00 0.00 H new ATOM 0 HA ALA A 19 3.600 1.169 5.027 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.983 0.700 5.497 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.740 2.414 5.085 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.975 1.931 6.782 1.00 0.00 H new ATOM 276 N THR A 20 3.607 0.774 8.277 1.00 0.00 N ATOM 277 CA THR A 20 3.321 -0.217 9.354 1.00 0.00 C ATOM 278 C THR A 20 1.835 -0.582 9.318 1.00 0.00 C ATOM 279 O THR A 20 1.449 -1.684 9.664 1.00 0.00 O ATOM 280 CB THR A 20 3.660 0.395 10.716 1.00 0.00 C ATOM 281 OG1 THR A 20 4.775 1.264 10.580 1.00 0.00 O ATOM 282 CG2 THR A 20 3.998 -0.719 11.708 1.00 0.00 C ATOM 0 H THR A 20 3.680 1.742 8.591 1.00 0.00 H new ATOM 0 HA THR A 20 3.925 -1.111 9.198 1.00 0.00 H new ATOM 0 HB THR A 20 2.803 0.959 11.084 1.00 0.00 H new ATOM 0 HG1 THR A 20 4.471 2.138 10.257 1.00 0.00 H new ATOM 0 HG21 THR A 20 4.239 -0.282 12.677 1.00 0.00 H new ATOM 0 HG22 THR A 20 3.141 -1.385 11.813 1.00 0.00 H new ATOM 0 HG23 THR A 20 4.855 -1.285 11.342 1.00 0.00 H new ATOM 290 N VAL A 21 1.002 0.335 8.895 1.00 0.00 N ATOM 291 CA VAL A 21 -0.463 0.054 8.826 1.00 0.00 C ATOM 292 C VAL A 21 -0.720 -0.969 7.727 1.00 0.00 C ATOM 293 O VAL A 21 -1.413 -1.952 7.915 1.00 0.00 O ATOM 294 CB VAL A 21 -1.220 1.335 8.479 1.00 0.00 C ATOM 295 CG1 VAL A 21 -2.718 1.115 8.700 1.00 0.00 C ATOM 296 CG2 VAL A 21 -0.742 2.488 9.368 1.00 0.00 C ATOM 0 H VAL A 21 1.276 1.270 8.593 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.802 -0.325 9.790 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.032 1.587 7.435 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.260 2.028 8.453 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.065 0.303 8.061 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.898 0.857 9.744 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.288 3.396 9.112 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.922 2.239 10.414 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.324 2.650 9.211 1.00 0.00 H new ATOM 306 N LEU A 22 -0.171 -0.722 6.574 1.00 0.00 N ATOM 307 CA LEU A 22 -0.364 -1.636 5.420 1.00 0.00 C ATOM 308 C LEU A 22 0.247 -3.007 5.710 1.00 0.00 C ATOM 309 O LEU A 22 -0.412 -4.019 5.599 1.00 0.00 O ATOM 310 CB LEU A 22 0.319 -1.022 4.204 1.00 0.00 C ATOM 311 CG LEU A 22 -0.459 0.213 3.755 1.00 0.00 C ATOM 312 CD1 LEU A 22 0.311 0.912 2.635 1.00 0.00 C ATOM 313 CD2 LEU A 22 -1.834 -0.214 3.235 1.00 0.00 C ATOM 0 H LEU A 22 0.414 0.090 6.380 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.430 -1.769 5.236 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.346 -0.750 4.449 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.367 -1.750 3.394 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.583 0.894 4.597 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.240 1.795 2.311 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.293 1.212 3.001 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.430 0.229 1.794 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.391 0.666 2.914 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.709 -0.892 2.391 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.382 -0.720 4.029 1.00 0.00 H new ATOM 325 N VAL A 23 1.509 -3.051 6.064 1.00 0.00 N ATOM 326 CA VAL A 23 2.179 -4.364 6.341 1.00 0.00 C ATOM 327 C VAL A 23 1.353 -5.190 7.344 1.00 0.00 C ATOM 328 O VAL A 23 1.393 -6.405 7.335 1.00 0.00 O ATOM 329 CB VAL A 23 3.587 -4.105 6.902 1.00 0.00 C ATOM 330 CG1 VAL A 23 3.488 -3.343 8.225 1.00 0.00 C ATOM 331 CG2 VAL A 23 4.305 -5.437 7.136 1.00 0.00 C ATOM 0 H VAL A 23 2.107 -2.232 6.174 1.00 0.00 H new ATOM 0 HA VAL A 23 2.254 -4.930 5.413 1.00 0.00 H new ATOM 0 HB VAL A 23 4.150 -3.510 6.183 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.489 -3.163 8.617 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.986 -2.390 8.059 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.918 -3.933 8.943 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.302 -5.248 7.533 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.738 -6.036 7.849 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.387 -5.977 6.193 1.00 0.00 H new ATOM 341 N GLN A 24 0.617 -4.536 8.206 1.00 0.00 N ATOM 342 CA GLN A 24 -0.202 -5.275 9.215 1.00 0.00 C ATOM 343 C GLN A 24 -1.339 -6.034 8.522 1.00 0.00 C ATOM 344 O GLN A 24 -1.494 -7.227 8.699 1.00 0.00 O ATOM 345 CB GLN A 24 -0.795 -4.277 10.216 1.00 0.00 C ATOM 346 CG GLN A 24 0.282 -3.841 11.219 1.00 0.00 C ATOM 347 CD GLN A 24 -0.021 -4.432 12.598 1.00 0.00 C ATOM 348 OE1 GLN A 24 -0.260 -5.616 12.727 1.00 0.00 O ATOM 349 NE2 GLN A 24 -0.020 -3.650 13.643 1.00 0.00 N ATOM 0 H GLN A 24 0.548 -3.520 8.255 1.00 0.00 H new ATOM 0 HA GLN A 24 0.436 -5.989 9.736 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -1.186 -3.407 9.688 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.633 -4.732 10.744 1.00 0.00 H new ATOM 0 HG2 GLN A 24 1.263 -4.172 10.879 1.00 0.00 H new ATOM 0 HG3 GLN A 24 0.316 -2.753 11.279 1.00 0.00 H new ATOM 0 HE21 GLN A 24 0.181 -2.656 13.536 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -0.220 -4.033 14.567 1.00 0.00 H new ATOM 358 N THR A 25 -2.143 -5.349 7.748 1.00 0.00 N ATOM 359 CA THR A 25 -3.284 -6.023 7.054 1.00 0.00 C ATOM 360 C THR A 25 -2.768 -7.130 6.129 1.00 0.00 C ATOM 361 O THR A 25 -3.205 -8.261 6.201 1.00 0.00 O ATOM 362 CB THR A 25 -4.055 -4.991 6.229 1.00 0.00 C ATOM 363 OG1 THR A 25 -4.133 -3.771 6.952 1.00 0.00 O ATOM 364 CG2 THR A 25 -5.465 -5.510 5.947 1.00 0.00 C ATOM 0 H THR A 25 -2.058 -4.349 7.566 1.00 0.00 H new ATOM 0 HA THR A 25 -3.940 -6.467 7.803 1.00 0.00 H new ATOM 0 HB THR A 25 -3.538 -4.821 5.285 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.625 -3.109 6.424 1.00 0.00 H new ATOM 0 HG21 THR A 25 -6.013 -4.774 5.359 1.00 0.00 H new ATOM 0 HG22 THR A 25 -5.404 -6.446 5.391 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.985 -5.681 6.890 1.00 0.00 H new ATOM 372 N ALA A 26 -1.850 -6.807 5.252 1.00 0.00 N ATOM 373 CA ALA A 26 -1.306 -7.830 4.308 1.00 0.00 C ATOM 374 C ALA A 26 -0.678 -8.995 5.085 1.00 0.00 C ATOM 375 O ALA A 26 -0.573 -10.096 4.578 1.00 0.00 O ATOM 376 CB ALA A 26 -0.243 -7.182 3.419 1.00 0.00 C ATOM 0 H ALA A 26 -1.452 -5.873 5.149 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.121 -8.214 3.695 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.156 -7.925 2.729 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.691 -6.365 2.853 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.564 -6.794 4.041 1.00 0.00 H new ATOM 382 N SER A 27 -0.255 -8.763 6.305 1.00 0.00 N ATOM 383 CA SER A 27 0.370 -9.861 7.109 1.00 0.00 C ATOM 384 C SER A 27 -0.627 -11.013 7.274 1.00 0.00 C ATOM 385 O SER A 27 -0.258 -12.172 7.244 1.00 0.00 O ATOM 386 CB SER A 27 0.760 -9.329 8.491 1.00 0.00 C ATOM 387 OG SER A 27 1.979 -9.934 8.899 1.00 0.00 O ATOM 0 H SER A 27 -0.316 -7.861 6.778 1.00 0.00 H new ATOM 0 HA SER A 27 1.259 -10.221 6.591 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.871 -8.245 8.458 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.027 -9.547 9.213 1.00 0.00 H new ATOM 0 HG SER A 27 2.233 -9.595 9.783 1.00 0.00 H new ATOM 393 N LYS A 28 -1.882 -10.695 7.447 1.00 0.00 N ATOM 394 CA LYS A 28 -2.914 -11.758 7.616 1.00 0.00 C ATOM 395 C LYS A 28 -3.139 -12.470 6.279 1.00 0.00 C ATOM 396 O LYS A 28 -3.495 -13.634 6.242 1.00 0.00 O ATOM 397 CB LYS A 28 -4.226 -11.125 8.088 1.00 0.00 C ATOM 398 CG LYS A 28 -3.973 -10.294 9.350 1.00 0.00 C ATOM 399 CD LYS A 28 -3.702 -11.225 10.533 1.00 0.00 C ATOM 400 CE LYS A 28 -5.015 -11.855 11.001 1.00 0.00 C ATOM 401 NZ LYS A 28 -4.750 -13.226 11.524 1.00 0.00 N ATOM 0 H LYS A 28 -2.238 -9.740 7.479 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.573 -12.481 8.357 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.640 -10.493 7.302 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.963 -11.902 8.294 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.123 -9.629 9.195 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.837 -9.663 9.561 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.997 -12.003 10.242 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -3.243 -10.668 11.350 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -5.470 -11.240 11.777 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -5.724 -11.900 10.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.642 -13.655 11.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.334 -13.811 10.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.088 -13.170 12.324 1.00 0.00 H new ATOM 415 N TYR A 29 -2.934 -11.783 5.183 1.00 0.00 N ATOM 416 CA TYR A 29 -3.132 -12.420 3.846 1.00 0.00 C ATOM 417 C TYR A 29 -1.792 -12.956 3.336 1.00 0.00 C ATOM 418 O TYR A 29 -0.816 -12.234 3.256 1.00 0.00 O ATOM 419 CB TYR A 29 -3.686 -11.387 2.860 1.00 0.00 C ATOM 420 CG TYR A 29 -4.962 -10.802 3.418 1.00 0.00 C ATOM 421 CD1 TYR A 29 -6.176 -11.477 3.243 1.00 0.00 C ATOM 422 CD2 TYR A 29 -4.931 -9.588 4.116 1.00 0.00 C ATOM 423 CE1 TYR A 29 -7.359 -10.939 3.763 1.00 0.00 C ATOM 424 CE2 TYR A 29 -6.115 -9.050 4.637 1.00 0.00 C ATOM 425 CZ TYR A 29 -7.328 -9.725 4.460 1.00 0.00 C ATOM 426 OH TYR A 29 -8.493 -9.196 4.976 1.00 0.00 O ATOM 0 H TYR A 29 -2.638 -10.807 5.157 1.00 0.00 H new ATOM 0 HA TYR A 29 -3.841 -13.243 3.936 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -2.953 -10.598 2.692 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -3.878 -11.855 1.894 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.200 -12.414 2.706 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -3.995 -9.067 4.252 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.295 -11.460 3.627 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -6.092 -8.114 5.175 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.275 -8.494 5.624 1.00 0.00 H new ATOM 436 N ASP A 30 -1.742 -14.219 2.997 1.00 0.00 N ATOM 437 CA ASP A 30 -0.469 -14.817 2.495 1.00 0.00 C ATOM 438 C ASP A 30 -0.337 -14.619 0.978 1.00 0.00 C ATOM 439 O ASP A 30 0.546 -15.179 0.356 1.00 0.00 O ATOM 440 CB ASP A 30 -0.461 -16.314 2.809 1.00 0.00 C ATOM 441 CG ASP A 30 -0.579 -16.521 4.320 1.00 0.00 C ATOM 442 OD1 ASP A 30 0.323 -16.104 5.028 1.00 0.00 O ATOM 443 OD2 ASP A 30 -1.570 -17.094 4.743 1.00 0.00 O ATOM 0 H ASP A 30 -2.531 -14.864 3.047 1.00 0.00 H new ATOM 0 HA ASP A 30 0.369 -14.322 2.986 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.288 -16.808 2.298 1.00 0.00 H new ATOM 0 HB3 ASP A 30 0.458 -16.769 2.440 1.00 0.00 H new ATOM 448 N ALA A 31 -1.198 -13.832 0.374 1.00 0.00 N ATOM 449 CA ALA A 31 -1.107 -13.610 -1.098 1.00 0.00 C ATOM 450 C ALA A 31 0.152 -12.800 -1.415 1.00 0.00 C ATOM 451 O ALA A 31 0.897 -12.422 -0.530 1.00 0.00 O ATOM 452 CB ALA A 31 -2.341 -12.843 -1.577 1.00 0.00 C ATOM 0 H ALA A 31 -1.958 -13.336 0.840 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.058 -14.572 -1.607 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.274 -12.681 -2.653 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.238 -13.420 -1.352 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.392 -11.881 -1.068 1.00 0.00 H new ATOM 458 N ASP A 32 0.389 -12.531 -2.673 1.00 0.00 N ATOM 459 CA ASP A 32 1.594 -11.743 -3.064 1.00 0.00 C ATOM 460 C ASP A 32 1.174 -10.306 -3.388 1.00 0.00 C ATOM 461 O ASP A 32 1.095 -9.915 -4.538 1.00 0.00 O ATOM 462 CB ASP A 32 2.244 -12.381 -4.295 1.00 0.00 C ATOM 463 CG ASP A 32 2.733 -13.787 -3.946 1.00 0.00 C ATOM 464 OD1 ASP A 32 3.183 -13.975 -2.827 1.00 0.00 O ATOM 465 OD2 ASP A 32 2.651 -14.652 -4.802 1.00 0.00 O ATOM 0 H ASP A 32 -0.204 -12.825 -3.449 1.00 0.00 H new ATOM 0 HA ASP A 32 2.311 -11.736 -2.243 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.527 -12.427 -5.115 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.079 -11.769 -4.636 1.00 0.00 H new ATOM 470 N VAL A 33 0.904 -9.522 -2.378 1.00 0.00 N ATOM 471 CA VAL A 33 0.486 -8.108 -2.607 1.00 0.00 C ATOM 472 C VAL A 33 1.726 -7.211 -2.648 1.00 0.00 C ATOM 473 O VAL A 33 2.370 -6.980 -1.642 1.00 0.00 O ATOM 474 CB VAL A 33 -0.441 -7.662 -1.468 1.00 0.00 C ATOM 475 CG1 VAL A 33 -1.736 -8.485 -1.507 1.00 0.00 C ATOM 476 CG2 VAL A 33 0.262 -7.865 -0.116 1.00 0.00 C ATOM 0 H VAL A 33 0.955 -9.802 -1.399 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.045 -8.030 -3.556 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.681 -6.606 -1.591 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.393 -8.167 -0.698 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.237 -8.331 -2.463 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.499 -9.542 -1.388 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.400 -7.547 0.690 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.508 -8.919 0.011 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.177 -7.273 -0.089 1.00 0.00 H new ATOM 486 N ASN A 34 2.068 -6.712 -3.809 1.00 0.00 N ATOM 487 CA ASN A 34 3.271 -5.837 -3.929 1.00 0.00 C ATOM 488 C ASN A 34 2.854 -4.436 -4.385 1.00 0.00 C ATOM 489 O ASN A 34 2.074 -4.278 -5.305 1.00 0.00 O ATOM 490 CB ASN A 34 4.237 -6.439 -4.953 1.00 0.00 C ATOM 491 CG ASN A 34 4.883 -7.696 -4.368 1.00 0.00 C ATOM 492 OD1 ASN A 34 4.243 -8.722 -4.248 1.00 0.00 O ATOM 493 ND2 ASN A 34 6.134 -7.660 -3.996 1.00 0.00 N ATOM 0 H ASN A 34 1.564 -6.874 -4.681 1.00 0.00 H new ATOM 0 HA ASN A 34 3.761 -5.766 -2.958 1.00 0.00 H new ATOM 0 HB2 ASN A 34 3.703 -6.685 -5.871 1.00 0.00 H new ATOM 0 HB3 ASN A 34 5.005 -5.711 -5.216 1.00 0.00 H new ATOM 0 HD21 ASN A 34 6.574 -8.493 -3.605 1.00 0.00 H new ATOM 0 HD22 ASN A 34 6.671 -6.799 -4.097 1.00 0.00 H new ATOM 500 N LEU A 35 3.380 -3.421 -3.749 1.00 0.00 N ATOM 501 CA LEU A 35 3.035 -2.022 -4.133 1.00 0.00 C ATOM 502 C LEU A 35 4.014 -1.543 -5.207 1.00 0.00 C ATOM 503 O LEU A 35 5.084 -2.100 -5.373 1.00 0.00 O ATOM 504 CB LEU A 35 3.147 -1.114 -2.903 1.00 0.00 C ATOM 505 CG LEU A 35 2.216 0.102 -3.060 1.00 0.00 C ATOM 506 CD1 LEU A 35 1.072 0.014 -2.046 1.00 0.00 C ATOM 507 CD2 LEU A 35 3.007 1.392 -2.814 1.00 0.00 C ATOM 0 H LEU A 35 4.039 -3.504 -2.974 1.00 0.00 H new ATOM 0 HA LEU A 35 2.016 -1.987 -4.519 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.883 -1.671 -2.004 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.177 -0.780 -2.780 1.00 0.00 H new ATOM 0 HG LEU A 35 1.808 0.108 -4.071 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.416 0.877 -2.161 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.503 -0.900 -2.218 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.481 0.002 -1.036 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.346 2.251 -2.926 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.418 1.380 -1.805 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.820 1.464 -3.536 1.00 0.00 H new ATOM 519 N GLU A 36 3.659 -0.516 -5.937 1.00 0.00 N ATOM 520 CA GLU A 36 4.567 0.002 -7.004 1.00 0.00 C ATOM 521 C GLU A 36 4.756 1.510 -6.824 1.00 0.00 C ATOM 522 O GLU A 36 3.898 2.190 -6.293 1.00 0.00 O ATOM 523 CB GLU A 36 3.952 -0.276 -8.378 1.00 0.00 C ATOM 524 CG GLU A 36 5.066 -0.467 -9.408 1.00 0.00 C ATOM 525 CD GLU A 36 4.626 -1.495 -10.452 1.00 0.00 C ATOM 526 OE1 GLU A 36 4.343 -2.618 -10.067 1.00 0.00 O ATOM 527 OE2 GLU A 36 4.578 -1.141 -11.618 1.00 0.00 O ATOM 0 H GLU A 36 2.777 -0.013 -5.839 1.00 0.00 H new ATOM 0 HA GLU A 36 5.534 -0.497 -6.932 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.326 -1.167 -8.334 1.00 0.00 H new ATOM 0 HB3 GLU A 36 3.307 0.552 -8.674 1.00 0.00 H new ATOM 0 HG2 GLU A 36 5.295 0.483 -9.892 1.00 0.00 H new ATOM 0 HG3 GLU A 36 5.978 -0.802 -8.915 1.00 0.00 H new ATOM 534 N TYR A 37 5.872 2.034 -7.265 1.00 0.00 N ATOM 535 CA TYR A 37 6.122 3.499 -7.123 1.00 0.00 C ATOM 536 C TYR A 37 7.116 3.960 -8.191 1.00 0.00 C ATOM 537 O TYR A 37 8.311 3.996 -7.965 1.00 0.00 O ATOM 538 CB TYR A 37 6.696 3.787 -5.733 1.00 0.00 C ATOM 539 CG TYR A 37 6.764 5.281 -5.512 1.00 0.00 C ATOM 540 CD1 TYR A 37 5.625 6.073 -5.706 1.00 0.00 C ATOM 541 CD2 TYR A 37 7.968 5.874 -5.112 1.00 0.00 C ATOM 542 CE1 TYR A 37 5.690 7.456 -5.499 1.00 0.00 C ATOM 543 CE2 TYR A 37 8.032 7.257 -4.905 1.00 0.00 C ATOM 544 CZ TYR A 37 6.893 8.048 -5.099 1.00 0.00 C ATOM 545 OH TYR A 37 6.956 9.411 -4.894 1.00 0.00 O ATOM 0 H TYR A 37 6.621 1.509 -7.717 1.00 0.00 H new ATOM 0 HA TYR A 37 5.183 4.038 -7.249 1.00 0.00 H new ATOM 0 HB2 TYR A 37 6.073 3.324 -4.968 1.00 0.00 H new ATOM 0 HB3 TYR A 37 7.690 3.350 -5.641 1.00 0.00 H new ATOM 0 HD1 TYR A 37 4.696 5.617 -6.015 1.00 0.00 H new ATOM 0 HD2 TYR A 37 8.847 5.264 -4.963 1.00 0.00 H new ATOM 0 HE1 TYR A 37 4.811 8.066 -5.648 1.00 0.00 H new ATOM 0 HE2 TYR A 37 8.960 7.714 -4.596 1.00 0.00 H new ATOM 0 HH TYR A 37 6.081 9.738 -4.599 1.00 0.00 H new ATOM 555 N ASN A 38 6.627 4.315 -9.353 1.00 0.00 N ATOM 556 CA ASN A 38 7.530 4.781 -10.451 1.00 0.00 C ATOM 557 C ASN A 38 8.496 3.655 -10.838 1.00 0.00 C ATOM 558 O ASN A 38 9.692 3.859 -10.947 1.00 0.00 O ATOM 559 CB ASN A 38 8.323 6.008 -9.983 1.00 0.00 C ATOM 560 CG ASN A 38 8.601 6.924 -11.176 1.00 0.00 C ATOM 561 OD1 ASN A 38 9.226 6.518 -12.135 1.00 0.00 O ATOM 562 ND2 ASN A 38 8.158 8.152 -11.157 1.00 0.00 N ATOM 0 H ASN A 38 5.635 4.302 -9.590 1.00 0.00 H new ATOM 0 HA ASN A 38 6.930 5.053 -11.320 1.00 0.00 H new ATOM 0 HB2 ASN A 38 7.761 6.547 -9.220 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.261 5.694 -9.526 1.00 0.00 H new ATOM 0 HD21 ASN A 38 8.337 8.771 -11.948 1.00 0.00 H new ATOM 0 HD22 ASN A 38 7.633 8.492 -10.351 1.00 0.00 H new ATOM 569 N GLY A 39 7.982 2.470 -11.053 1.00 0.00 N ATOM 570 CA GLY A 39 8.856 1.325 -11.440 1.00 0.00 C ATOM 571 C GLY A 39 9.457 0.649 -10.197 1.00 0.00 C ATOM 572 O GLY A 39 10.088 -0.387 -10.301 1.00 0.00 O ATOM 0 H GLY A 39 6.990 2.247 -10.976 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.278 0.598 -12.011 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.657 1.677 -12.090 1.00 0.00 H new ATOM 576 N LYS A 40 9.271 1.217 -9.027 1.00 0.00 N ATOM 577 CA LYS A 40 9.836 0.597 -7.791 1.00 0.00 C ATOM 578 C LYS A 40 8.802 -0.351 -7.182 1.00 0.00 C ATOM 579 O LYS A 40 7.869 0.075 -6.527 1.00 0.00 O ATOM 580 CB LYS A 40 10.178 1.695 -6.781 1.00 0.00 C ATOM 581 CG LYS A 40 11.117 2.722 -7.427 1.00 0.00 C ATOM 582 CD LYS A 40 12.551 2.487 -6.947 1.00 0.00 C ATOM 583 CE LYS A 40 13.280 3.827 -6.841 1.00 0.00 C ATOM 584 NZ LYS A 40 13.582 4.335 -8.209 1.00 0.00 N ATOM 0 H LYS A 40 8.752 2.083 -8.878 1.00 0.00 H new ATOM 0 HA LYS A 40 10.739 0.040 -8.042 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.266 2.186 -6.441 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.652 1.258 -5.902 1.00 0.00 H new ATOM 0 HG2 LYS A 40 11.069 2.640 -8.513 1.00 0.00 H new ATOM 0 HG3 LYS A 40 10.798 3.732 -7.170 1.00 0.00 H new ATOM 0 HD2 LYS A 40 12.544 1.987 -5.978 1.00 0.00 H new ATOM 0 HD3 LYS A 40 13.075 1.830 -7.641 1.00 0.00 H new ATOM 0 HE2 LYS A 40 12.665 4.547 -6.301 1.00 0.00 H new ATOM 0 HE3 LYS A 40 14.203 3.708 -6.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 14.108 5.230 -8.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 14.156 3.635 -8.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 12.693 4.496 -8.724 1.00 0.00 H new ATOM 598 N THR A 41 8.960 -1.632 -7.396 1.00 0.00 N ATOM 599 CA THR A 41 7.987 -2.614 -6.834 1.00 0.00 C ATOM 600 C THR A 41 8.499 -3.138 -5.490 1.00 0.00 C ATOM 601 O THR A 41 9.307 -4.045 -5.435 1.00 0.00 O ATOM 602 CB THR A 41 7.821 -3.786 -7.806 1.00 0.00 C ATOM 603 OG1 THR A 41 7.486 -3.288 -9.093 1.00 0.00 O ATOM 604 CG2 THR A 41 6.708 -4.710 -7.307 1.00 0.00 C ATOM 0 H THR A 41 9.722 -2.040 -7.937 1.00 0.00 H new ATOM 0 HA THR A 41 7.025 -2.122 -6.688 1.00 0.00 H new ATOM 0 HB THR A 41 8.755 -4.345 -7.865 1.00 0.00 H new ATOM 0 HG1 THR A 41 7.381 -4.037 -9.716 1.00 0.00 H new ATOM 0 HG21 THR A 41 6.590 -5.544 -7.999 1.00 0.00 H new ATOM 0 HG22 THR A 41 6.967 -5.092 -6.319 1.00 0.00 H new ATOM 0 HG23 THR A 41 5.773 -4.153 -7.247 1.00 0.00 H new ATOM 612 N VAL A 42 8.017 -2.581 -4.408 1.00 0.00 N ATOM 613 CA VAL A 42 8.456 -3.055 -3.055 1.00 0.00 C ATOM 614 C VAL A 42 7.370 -3.951 -2.469 1.00 0.00 C ATOM 615 O VAL A 42 6.197 -3.758 -2.719 1.00 0.00 O ATOM 616 CB VAL A 42 8.697 -1.877 -2.088 1.00 0.00 C ATOM 617 CG1 VAL A 42 10.118 -1.341 -2.265 1.00 0.00 C ATOM 618 CG2 VAL A 42 7.685 -0.747 -2.336 1.00 0.00 C ATOM 0 H VAL A 42 7.339 -1.819 -4.400 1.00 0.00 H new ATOM 0 HA VAL A 42 9.393 -3.598 -3.175 1.00 0.00 H new ATOM 0 HB VAL A 42 8.568 -2.241 -1.069 1.00 0.00 H new ATOM 0 HG11 VAL A 42 10.281 -0.510 -1.579 1.00 0.00 H new ATOM 0 HG12 VAL A 42 10.835 -2.134 -2.051 1.00 0.00 H new ATOM 0 HG13 VAL A 42 10.252 -0.997 -3.291 1.00 0.00 H new ATOM 0 HG21 VAL A 42 7.876 0.071 -1.642 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.786 -0.386 -3.359 1.00 0.00 H new ATOM 0 HG23 VAL A 42 6.674 -1.124 -2.183 1.00 0.00 H new ATOM 628 N ASN A 43 7.753 -4.925 -1.685 1.00 0.00 N ATOM 629 CA ASN A 43 6.743 -5.833 -1.072 1.00 0.00 C ATOM 630 C ASN A 43 5.913 -5.044 -0.060 1.00 0.00 C ATOM 631 O ASN A 43 6.430 -4.213 0.661 1.00 0.00 O ATOM 632 CB ASN A 43 7.460 -6.981 -0.357 1.00 0.00 C ATOM 633 CG ASN A 43 6.498 -8.159 -0.187 1.00 0.00 C ATOM 634 OD1 ASN A 43 5.312 -7.968 -0.005 1.00 0.00 O ATOM 635 ND2 ASN A 43 6.962 -9.376 -0.239 1.00 0.00 N ATOM 0 H ASN A 43 8.723 -5.130 -1.444 1.00 0.00 H new ATOM 0 HA ASN A 43 6.092 -6.238 -1.847 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.333 -7.291 -0.931 1.00 0.00 H new ATOM 0 HB3 ASN A 43 7.820 -6.648 0.617 1.00 0.00 H new ATOM 0 HD21 ASN A 43 6.329 -10.168 -0.127 1.00 0.00 H new ATOM 0 HD22 ASN A 43 7.958 -9.536 -0.392 1.00 0.00 H new ATOM 642 N LEU A 44 4.627 -5.298 0.002 1.00 0.00 N ATOM 643 CA LEU A 44 3.757 -4.564 0.975 1.00 0.00 C ATOM 644 C LEU A 44 4.300 -4.777 2.396 1.00 0.00 C ATOM 645 O LEU A 44 4.162 -3.930 3.258 1.00 0.00 O ATOM 646 CB LEU A 44 2.316 -5.099 0.863 1.00 0.00 C ATOM 647 CG LEU A 44 1.289 -4.086 1.409 1.00 0.00 C ATOM 648 CD1 LEU A 44 1.471 -3.921 2.917 1.00 0.00 C ATOM 649 CD2 LEU A 44 1.449 -2.720 0.723 1.00 0.00 C ATOM 0 H LEU A 44 4.143 -5.982 -0.579 1.00 0.00 H new ATOM 0 HA LEU A 44 3.758 -3.497 0.753 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.090 -5.321 -0.180 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.232 -6.036 1.414 1.00 0.00 H new ATOM 0 HG LEU A 44 0.290 -4.468 1.199 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.742 -3.204 3.295 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.323 -4.882 3.409 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.478 -3.559 3.124 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.714 -2.023 1.125 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.452 -2.336 0.907 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.295 -2.832 -0.350 1.00 0.00 H new ATOM 661 N LYS A 45 4.940 -5.897 2.632 1.00 0.00 N ATOM 662 CA LYS A 45 5.519 -6.167 3.980 1.00 0.00 C ATOM 663 C LYS A 45 6.958 -5.641 4.014 1.00 0.00 C ATOM 664 O LYS A 45 7.902 -6.382 4.223 1.00 0.00 O ATOM 665 CB LYS A 45 5.510 -7.676 4.254 1.00 0.00 C ATOM 666 CG LYS A 45 4.109 -8.250 3.993 1.00 0.00 C ATOM 667 CD LYS A 45 4.163 -9.247 2.832 1.00 0.00 C ATOM 668 CE LYS A 45 2.778 -9.863 2.622 1.00 0.00 C ATOM 669 NZ LYS A 45 2.548 -10.926 3.639 1.00 0.00 N ATOM 0 H LYS A 45 5.085 -6.637 1.945 1.00 0.00 H new ATOM 0 HA LYS A 45 4.926 -5.667 4.745 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.240 -8.174 3.616 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.804 -7.868 5.286 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.735 -8.743 4.890 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.414 -7.444 3.760 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.491 -8.744 1.922 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.892 -10.029 3.044 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.010 -9.094 2.704 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.703 -10.282 1.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 2.639 -11.860 3.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.251 -10.836 4.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 1.593 -10.825 4.037 1.00 0.00 H new ATOM 683 N SER A 46 7.127 -4.361 3.809 1.00 0.00 N ATOM 684 CA SER A 46 8.490 -3.759 3.826 1.00 0.00 C ATOM 685 C SER A 46 8.380 -2.334 4.360 1.00 0.00 C ATOM 686 O SER A 46 8.299 -1.382 3.608 1.00 0.00 O ATOM 687 CB SER A 46 9.065 -3.740 2.405 1.00 0.00 C ATOM 688 OG SER A 46 10.481 -3.841 2.473 1.00 0.00 O ATOM 0 H SER A 46 6.370 -3.702 3.629 1.00 0.00 H new ATOM 0 HA SER A 46 9.152 -4.346 4.463 1.00 0.00 H new ATOM 0 HB2 SER A 46 8.657 -4.567 1.824 1.00 0.00 H new ATOM 0 HB3 SER A 46 8.778 -2.820 1.896 1.00 0.00 H new ATOM 0 HG SER A 46 10.854 -3.831 1.567 1.00 0.00 H new ATOM 694 N ILE A 47 8.358 -2.188 5.658 1.00 0.00 N ATOM 695 CA ILE A 47 8.233 -0.831 6.263 1.00 0.00 C ATOM 696 C ILE A 47 9.485 -0.011 5.950 1.00 0.00 C ATOM 697 O ILE A 47 9.404 1.165 5.654 1.00 0.00 O ATOM 698 CB ILE A 47 8.063 -0.955 7.778 1.00 0.00 C ATOM 699 CG1 ILE A 47 6.894 -1.909 8.077 1.00 0.00 C ATOM 700 CG2 ILE A 47 7.768 0.434 8.361 1.00 0.00 C ATOM 701 CD1 ILE A 47 6.672 -2.007 9.589 1.00 0.00 C ATOM 0 H ILE A 47 8.422 -2.954 6.328 1.00 0.00 H new ATOM 0 HA ILE A 47 7.361 -0.330 5.844 1.00 0.00 H new ATOM 0 HB ILE A 47 8.973 -1.351 8.229 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.987 -1.550 7.590 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.106 -2.897 7.667 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.645 0.357 9.441 1.00 0.00 H new ATOM 0 HG22 ILE A 47 8.597 1.106 8.137 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.853 0.827 7.919 1.00 0.00 H new ATOM 0 HD11 ILE A 47 5.843 -2.684 9.792 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.576 -2.387 10.066 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.440 -1.019 9.987 1.00 0.00 H new ATOM 713 N MET A 48 10.640 -0.623 6.015 1.00 0.00 N ATOM 714 CA MET A 48 11.904 0.118 5.727 1.00 0.00 C ATOM 715 C MET A 48 12.077 0.289 4.214 1.00 0.00 C ATOM 716 O MET A 48 12.708 1.223 3.758 1.00 0.00 O ATOM 717 CB MET A 48 13.093 -0.669 6.286 1.00 0.00 C ATOM 718 CG MET A 48 14.361 0.180 6.180 1.00 0.00 C ATOM 719 SD MET A 48 15.465 -0.201 7.563 1.00 0.00 S ATOM 720 CE MET A 48 15.375 1.412 8.380 1.00 0.00 C ATOM 0 H MET A 48 10.762 -1.607 6.256 1.00 0.00 H new ATOM 0 HA MET A 48 11.857 1.101 6.197 1.00 0.00 H new ATOM 0 HB2 MET A 48 12.908 -0.938 7.326 1.00 0.00 H new ATOM 0 HB3 MET A 48 13.219 -1.600 5.734 1.00 0.00 H new ATOM 0 HG2 MET A 48 14.865 -0.018 5.234 1.00 0.00 H new ATOM 0 HG3 MET A 48 14.103 1.239 6.188 1.00 0.00 H new ATOM 0 HE1 MET A 48 15.995 1.401 9.276 1.00 0.00 H new ATOM 0 HE2 MET A 48 15.734 2.185 7.700 1.00 0.00 H new ATOM 0 HE3 MET A 48 14.342 1.623 8.656 1.00 0.00 H new ATOM 730 N GLY A 49 11.525 -0.609 3.437 1.00 0.00 N ATOM 731 CA GLY A 49 11.660 -0.508 1.953 1.00 0.00 C ATOM 732 C GLY A 49 10.780 0.627 1.424 1.00 0.00 C ATOM 733 O GLY A 49 11.085 1.241 0.420 1.00 0.00 O ATOM 0 H GLY A 49 10.986 -1.409 3.768 1.00 0.00 H new ATOM 0 HA2 GLY A 49 12.701 -0.327 1.686 1.00 0.00 H new ATOM 0 HA3 GLY A 49 11.371 -1.451 1.488 1.00 0.00 H new ATOM 737 N VAL A 50 9.688 0.905 2.090 1.00 0.00 N ATOM 738 CA VAL A 50 8.779 1.997 1.629 1.00 0.00 C ATOM 739 C VAL A 50 9.418 3.356 1.926 1.00 0.00 C ATOM 740 O VAL A 50 9.210 4.316 1.208 1.00 0.00 O ATOM 741 CB VAL A 50 7.435 1.884 2.356 1.00 0.00 C ATOM 742 CG1 VAL A 50 6.464 2.937 1.811 1.00 0.00 C ATOM 743 CG2 VAL A 50 6.847 0.485 2.133 1.00 0.00 C ATOM 0 H VAL A 50 9.386 0.421 2.936 1.00 0.00 H new ATOM 0 HA VAL A 50 8.615 1.906 0.555 1.00 0.00 H new ATOM 0 HB VAL A 50 7.588 2.049 3.422 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.509 2.854 2.330 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.879 3.932 1.971 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.312 2.774 0.744 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.891 0.405 2.650 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.697 0.319 1.066 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.535 -0.265 2.524 1.00 0.00 H new ATOM 753 N VAL A 51 10.194 3.443 2.978 1.00 0.00 N ATOM 754 CA VAL A 51 10.848 4.741 3.322 1.00 0.00 C ATOM 755 C VAL A 51 12.104 4.925 2.465 1.00 0.00 C ATOM 756 O VAL A 51 12.506 6.034 2.171 1.00 0.00 O ATOM 757 CB VAL A 51 11.237 4.745 4.802 1.00 0.00 C ATOM 758 CG1 VAL A 51 11.754 6.131 5.191 1.00 0.00 C ATOM 759 CG2 VAL A 51 10.010 4.406 5.652 1.00 0.00 C ATOM 0 H VAL A 51 10.402 2.672 3.612 1.00 0.00 H new ATOM 0 HA VAL A 51 10.152 5.557 3.128 1.00 0.00 H new ATOM 0 HB VAL A 51 12.017 4.004 4.973 1.00 0.00 H new ATOM 0 HG11 VAL A 51 12.031 6.133 6.245 1.00 0.00 H new ATOM 0 HG12 VAL A 51 12.627 6.377 4.586 1.00 0.00 H new ATOM 0 HG13 VAL A 51 10.973 6.872 5.019 1.00 0.00 H new ATOM 0 HG21 VAL A 51 10.286 4.409 6.706 1.00 0.00 H new ATOM 0 HG22 VAL A 51 9.231 5.149 5.479 1.00 0.00 H new ATOM 0 HG23 VAL A 51 9.638 3.419 5.377 1.00 0.00 H new ATOM 769 N SER A 52 12.724 3.843 2.063 1.00 0.00 N ATOM 770 CA SER A 52 13.954 3.947 1.224 1.00 0.00 C ATOM 771 C SER A 52 13.606 4.607 -0.112 1.00 0.00 C ATOM 772 O SER A 52 14.415 5.302 -0.699 1.00 0.00 O ATOM 773 CB SER A 52 14.519 2.549 0.970 1.00 0.00 C ATOM 774 OG SER A 52 13.603 1.811 0.172 1.00 0.00 O ATOM 0 H SER A 52 12.429 2.891 2.281 1.00 0.00 H new ATOM 0 HA SER A 52 14.698 4.550 1.744 1.00 0.00 H new ATOM 0 HB2 SER A 52 15.483 2.620 0.466 1.00 0.00 H new ATOM 0 HB3 SER A 52 14.690 2.036 1.916 1.00 0.00 H new ATOM 0 HG SER A 52 12.693 1.945 0.510 1.00 0.00 H new ATOM 780 N LEU A 53 12.408 4.394 -0.595 1.00 0.00 N ATOM 781 CA LEU A 53 11.997 5.006 -1.892 1.00 0.00 C ATOM 782 C LEU A 53 11.977 6.529 -1.756 1.00 0.00 C ATOM 783 O LEU A 53 12.835 7.218 -2.273 1.00 0.00 O ATOM 784 CB LEU A 53 10.600 4.509 -2.274 1.00 0.00 C ATOM 785 CG LEU A 53 10.651 3.007 -2.559 1.00 0.00 C ATOM 786 CD1 LEU A 53 9.250 2.410 -2.403 1.00 0.00 C ATOM 787 CD2 LEU A 53 11.146 2.776 -3.989 1.00 0.00 C ATOM 0 H LEU A 53 11.695 3.820 -0.144 1.00 0.00 H new ATOM 0 HA LEU A 53 12.708 4.720 -2.667 1.00 0.00 H new ATOM 0 HB2 LEU A 53 9.897 4.713 -1.466 1.00 0.00 H new ATOM 0 HB3 LEU A 53 10.240 5.044 -3.153 1.00 0.00 H new ATOM 0 HG LEU A 53 11.332 2.527 -1.856 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.286 1.340 -2.606 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.896 2.575 -1.385 1.00 0.00 H new ATOM 0 HD13 LEU A 53 8.570 2.890 -3.106 1.00 0.00 H new ATOM 0 HD21 LEU A 53 11.183 1.706 -4.193 1.00 0.00 H new ATOM 0 HD22 LEU A 53 10.465 3.256 -4.692 1.00 0.00 H new ATOM 0 HD23 LEU A 53 12.143 3.201 -4.102 1.00 0.00 H new ATOM 799 N GLY A 54 11.002 7.058 -1.060 1.00 0.00 N ATOM 800 CA GLY A 54 10.915 8.537 -0.882 1.00 0.00 C ATOM 801 C GLY A 54 9.590 9.042 -1.453 1.00 0.00 C ATOM 802 O GLY A 54 9.553 9.995 -2.210 1.00 0.00 O ATOM 0 H GLY A 54 10.260 6.525 -0.606 1.00 0.00 H new ATOM 0 HA2 GLY A 54 10.988 8.792 0.175 1.00 0.00 H new ATOM 0 HA3 GLY A 54 11.750 9.024 -1.386 1.00 0.00 H new ATOM 806 N ILE A 55 8.501 8.410 -1.094 1.00 0.00 N ATOM 807 CA ILE A 55 7.171 8.846 -1.610 1.00 0.00 C ATOM 808 C ILE A 55 6.731 10.114 -0.875 1.00 0.00 C ATOM 809 O ILE A 55 7.244 10.440 0.180 1.00 0.00 O ATOM 810 CB ILE A 55 6.142 7.734 -1.378 1.00 0.00 C ATOM 811 CG1 ILE A 55 6.635 6.438 -2.031 1.00 0.00 C ATOM 812 CG2 ILE A 55 4.802 8.133 -2.001 1.00 0.00 C ATOM 813 CD1 ILE A 55 6.084 5.236 -1.261 1.00 0.00 C ATOM 0 H ILE A 55 8.477 7.608 -0.464 1.00 0.00 H new ATOM 0 HA ILE A 55 7.245 9.053 -2.678 1.00 0.00 H new ATOM 0 HB ILE A 55 6.014 7.581 -0.306 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.311 6.396 -3.071 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.725 6.412 -2.035 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.073 7.340 -1.834 1.00 0.00 H new ATOM 0 HG22 ILE A 55 4.447 9.055 -1.541 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.931 8.288 -3.072 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.435 4.314 -1.726 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.430 5.276 -0.228 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.994 5.260 -1.280 1.00 0.00 H new ATOM 825 N ALA A 56 5.788 10.830 -1.429 1.00 0.00 N ATOM 826 CA ALA A 56 5.308 12.082 -0.776 1.00 0.00 C ATOM 827 C ALA A 56 3.836 12.308 -1.132 1.00 0.00 C ATOM 828 O ALA A 56 3.223 11.503 -1.807 1.00 0.00 O ATOM 829 CB ALA A 56 6.146 13.263 -1.269 1.00 0.00 C ATOM 0 H ALA A 56 5.328 10.600 -2.310 1.00 0.00 H new ATOM 0 HA ALA A 56 5.408 11.995 0.306 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.798 14.180 -0.794 1.00 0.00 H new ATOM 0 HB2 ALA A 56 7.193 13.098 -1.015 1.00 0.00 H new ATOM 0 HB3 ALA A 56 6.045 13.354 -2.350 1.00 0.00 H new ATOM 835 N LYS A 57 3.268 13.398 -0.680 1.00 0.00 N ATOM 836 CA LYS A 57 1.834 13.682 -0.988 1.00 0.00 C ATOM 837 C LYS A 57 1.672 13.905 -2.493 1.00 0.00 C ATOM 838 O LYS A 57 2.565 14.400 -3.155 1.00 0.00 O ATOM 839 CB LYS A 57 1.385 14.936 -0.231 1.00 0.00 C ATOM 840 CG LYS A 57 2.310 16.106 -0.574 1.00 0.00 C ATOM 841 CD LYS A 57 1.687 17.412 -0.075 1.00 0.00 C ATOM 842 CE LYS A 57 0.784 18.008 -1.162 1.00 0.00 C ATOM 843 NZ LYS A 57 -0.645 17.851 -0.764 1.00 0.00 N ATOM 0 H LYS A 57 3.736 14.103 -0.111 1.00 0.00 H new ATOM 0 HA LYS A 57 1.221 12.836 -0.678 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.357 15.183 -0.496 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.402 14.750 0.843 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.287 15.958 -0.114 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.469 16.155 -1.651 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.108 17.227 0.830 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.471 18.122 0.188 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.018 19.063 -1.306 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.964 17.508 -2.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.233 17.744 -1.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.748 17.007 -0.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.952 18.692 -0.234 1.00 0.00 H new ATOM 857 N GLY A 58 0.537 13.543 -3.036 1.00 0.00 N ATOM 858 CA GLY A 58 0.308 13.730 -4.499 1.00 0.00 C ATOM 859 C GLY A 58 1.241 12.805 -5.283 1.00 0.00 C ATOM 860 O GLY A 58 2.183 13.249 -5.912 1.00 0.00 O ATOM 0 H GLY A 58 -0.242 13.125 -2.527 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.731 13.511 -4.746 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.490 14.768 -4.777 1.00 0.00 H new ATOM 864 N ALA A 59 0.987 11.522 -5.247 1.00 0.00 N ATOM 865 CA ALA A 59 1.854 10.558 -5.985 1.00 0.00 C ATOM 866 C ALA A 59 0.993 9.434 -6.564 1.00 0.00 C ATOM 867 O ALA A 59 -0.220 9.457 -6.467 1.00 0.00 O ATOM 868 CB ALA A 59 2.889 9.967 -5.024 1.00 0.00 C ATOM 0 H ALA A 59 0.212 11.100 -4.735 1.00 0.00 H new ATOM 0 HA ALA A 59 2.365 11.076 -6.797 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.524 9.262 -5.561 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.503 10.768 -4.613 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.378 9.449 -4.212 1.00 0.00 H new ATOM 874 N GLU A 60 1.614 8.451 -7.168 1.00 0.00 N ATOM 875 CA GLU A 60 0.842 7.319 -7.759 1.00 0.00 C ATOM 876 C GLU A 60 1.459 5.993 -7.310 1.00 0.00 C ATOM 877 O GLU A 60 2.653 5.897 -7.094 1.00 0.00 O ATOM 878 CB GLU A 60 0.887 7.414 -9.286 1.00 0.00 C ATOM 879 CG GLU A 60 -0.093 8.491 -9.758 1.00 0.00 C ATOM 880 CD GLU A 60 0.298 8.956 -11.162 1.00 0.00 C ATOM 881 OE1 GLU A 60 0.391 8.115 -12.039 1.00 0.00 O ATOM 882 OE2 GLU A 60 0.498 10.148 -11.335 1.00 0.00 O ATOM 0 H GLU A 60 2.626 8.385 -7.277 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.194 7.369 -7.423 1.00 0.00 H new ATOM 0 HB2 GLU A 60 1.897 7.656 -9.617 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.628 6.452 -9.729 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.109 8.096 -9.764 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.083 9.335 -9.068 1.00 0.00 H new ATOM 889 N ILE A 61 0.654 4.972 -7.166 1.00 0.00 N ATOM 890 CA ILE A 61 1.183 3.646 -6.727 1.00 0.00 C ATOM 891 C ILE A 61 0.326 2.527 -7.325 1.00 0.00 C ATOM 892 O ILE A 61 -0.840 2.718 -7.618 1.00 0.00 O ATOM 893 CB ILE A 61 1.147 3.561 -5.198 1.00 0.00 C ATOM 894 CG1 ILE A 61 -0.254 3.934 -4.693 1.00 0.00 C ATOM 895 CG2 ILE A 61 2.179 4.531 -4.614 1.00 0.00 C ATOM 896 CD1 ILE A 61 -0.314 3.792 -3.168 1.00 0.00 C ATOM 0 H ILE A 61 -0.352 5.000 -7.334 1.00 0.00 H new ATOM 0 HA ILE A 61 2.211 3.535 -7.071 1.00 0.00 H new ATOM 0 HB ILE A 61 1.382 2.544 -4.884 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.493 4.958 -4.981 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.001 3.289 -5.157 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.157 4.474 -3.526 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.173 4.263 -4.971 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.942 5.547 -4.929 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.311 4.058 -2.817 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.094 2.761 -2.890 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.421 4.455 -2.712 1.00 0.00 H new ATOM 908 N THR A 62 0.898 1.364 -7.512 1.00 0.00 N ATOM 909 CA THR A 62 0.126 0.227 -8.095 1.00 0.00 C ATOM 910 C THR A 62 0.260 -1.003 -7.193 1.00 0.00 C ATOM 911 O THR A 62 1.353 -1.419 -6.855 1.00 0.00 O ATOM 912 CB THR A 62 0.674 -0.099 -9.487 1.00 0.00 C ATOM 913 OG1 THR A 62 0.949 1.110 -10.180 1.00 0.00 O ATOM 914 CG2 THR A 62 -0.360 -0.912 -10.268 1.00 0.00 C ATOM 0 H THR A 62 1.870 1.154 -7.285 1.00 0.00 H new ATOM 0 HA THR A 62 -0.925 0.505 -8.172 1.00 0.00 H new ATOM 0 HB THR A 62 1.591 -0.680 -9.390 1.00 0.00 H new ATOM 0 HG1 THR A 62 1.302 0.904 -11.071 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.032 -1.143 -11.259 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.571 -1.839 -9.736 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.278 -0.333 -10.367 1.00 0.00 H new ATOM 922 N ILE A 63 -0.845 -1.584 -6.803 1.00 0.00 N ATOM 923 CA ILE A 63 -0.797 -2.788 -5.922 1.00 0.00 C ATOM 924 C ILE A 63 -1.295 -4.010 -6.701 1.00 0.00 C ATOM 925 O ILE A 63 -2.135 -3.898 -7.573 1.00 0.00 O ATOM 926 CB ILE A 63 -1.691 -2.552 -4.699 1.00 0.00 C ATOM 927 CG1 ILE A 63 -1.205 -1.306 -3.955 1.00 0.00 C ATOM 928 CG2 ILE A 63 -1.625 -3.761 -3.761 1.00 0.00 C ATOM 929 CD1 ILE A 63 -2.175 -0.970 -2.822 1.00 0.00 C ATOM 0 H ILE A 63 -1.783 -1.274 -7.058 1.00 0.00 H new ATOM 0 HA ILE A 63 0.227 -2.966 -5.594 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.721 -2.411 -5.027 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.207 -1.477 -3.553 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.131 -0.465 -4.644 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.263 -3.585 -2.895 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.968 -4.651 -4.289 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.597 -3.909 -3.430 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.825 -0.082 -2.295 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.165 -0.780 -3.235 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -2.227 -1.808 -2.127 1.00 0.00 H new ATOM 941 N SER A 64 -0.779 -5.174 -6.391 1.00 0.00 N ATOM 942 CA SER A 64 -1.219 -6.406 -7.110 1.00 0.00 C ATOM 943 C SER A 64 -1.092 -7.623 -6.188 1.00 0.00 C ATOM 944 O SER A 64 -0.003 -8.039 -5.841 1.00 0.00 O ATOM 945 CB SER A 64 -0.346 -6.613 -8.347 1.00 0.00 C ATOM 946 OG SER A 64 1.009 -6.344 -8.017 1.00 0.00 O ATOM 0 H SER A 64 -0.072 -5.322 -5.671 1.00 0.00 H new ATOM 0 HA SER A 64 -2.260 -6.291 -7.411 1.00 0.00 H new ATOM 0 HB2 SER A 64 -0.447 -7.636 -8.711 1.00 0.00 H new ATOM 0 HB3 SER A 64 -0.674 -5.955 -9.152 1.00 0.00 H new ATOM 0 HG SER A 64 1.243 -6.811 -7.188 1.00 0.00 H new ATOM 952 N ALA A 65 -2.202 -8.199 -5.801 1.00 0.00 N ATOM 953 CA ALA A 65 -2.162 -9.400 -4.914 1.00 0.00 C ATOM 954 C ALA A 65 -2.183 -10.661 -5.782 1.00 0.00 C ATOM 955 O ALA A 65 -2.958 -10.762 -6.715 1.00 0.00 O ATOM 956 CB ALA A 65 -3.387 -9.393 -3.995 1.00 0.00 C ATOM 0 H ALA A 65 -3.137 -7.888 -6.063 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.255 -9.384 -4.309 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.360 -10.269 -3.346 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.379 -8.489 -3.385 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.295 -9.416 -4.598 1.00 0.00 H new ATOM 962 N SER A 66 -1.338 -11.617 -5.490 1.00 0.00 N ATOM 963 CA SER A 66 -1.309 -12.870 -6.306 1.00 0.00 C ATOM 964 C SER A 66 -0.945 -14.060 -5.411 1.00 0.00 C ATOM 965 O SER A 66 0.203 -14.250 -5.057 1.00 0.00 O ATOM 966 CB SER A 66 -0.270 -12.723 -7.423 1.00 0.00 C ATOM 967 OG SER A 66 -0.923 -12.816 -8.683 1.00 0.00 O ATOM 0 H SER A 66 -0.667 -11.585 -4.722 1.00 0.00 H new ATOM 0 HA SER A 66 -2.291 -13.043 -6.745 1.00 0.00 H new ATOM 0 HB2 SER A 66 0.243 -11.765 -7.335 1.00 0.00 H new ATOM 0 HB3 SER A 66 0.489 -13.500 -7.335 1.00 0.00 H new ATOM 0 HG SER A 66 -0.263 -12.721 -9.401 1.00 0.00 H new ATOM 973 N GLY A 67 -1.915 -14.862 -5.048 1.00 0.00 N ATOM 974 CA GLY A 67 -1.631 -16.042 -4.178 1.00 0.00 C ATOM 975 C GLY A 67 -2.938 -16.760 -3.838 1.00 0.00 C ATOM 976 O GLY A 67 -3.720 -17.089 -4.711 1.00 0.00 O ATOM 0 H GLY A 67 -2.892 -14.749 -5.318 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -0.951 -16.726 -4.687 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.133 -15.720 -3.263 1.00 0.00 H new ATOM 980 N ALA A 68 -3.177 -17.010 -2.576 1.00 0.00 N ATOM 981 CA ALA A 68 -4.429 -17.711 -2.166 1.00 0.00 C ATOM 982 C ALA A 68 -5.543 -16.686 -1.943 1.00 0.00 C ATOM 983 O ALA A 68 -6.577 -16.732 -2.583 1.00 0.00 O ATOM 984 CB ALA A 68 -4.178 -18.480 -0.867 1.00 0.00 C ATOM 0 H ALA A 68 -2.555 -16.757 -1.809 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.729 -18.406 -2.951 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.091 -18.993 -0.566 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.386 -19.212 -1.025 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.878 -17.784 -0.084 1.00 0.00 H new ATOM 990 N ASP A 69 -5.340 -15.765 -1.036 1.00 0.00 N ATOM 991 CA ASP A 69 -6.382 -14.732 -0.761 1.00 0.00 C ATOM 992 C ASP A 69 -5.962 -13.398 -1.386 1.00 0.00 C ATOM 993 O ASP A 69 -5.924 -12.375 -0.729 1.00 0.00 O ATOM 994 CB ASP A 69 -6.551 -14.567 0.755 1.00 0.00 C ATOM 995 CG ASP A 69 -5.185 -14.348 1.414 1.00 0.00 C ATOM 996 OD1 ASP A 69 -4.318 -13.782 0.768 1.00 0.00 O ATOM 997 OD2 ASP A 69 -5.031 -14.748 2.556 1.00 0.00 O ATOM 0 H ASP A 69 -4.494 -15.684 -0.472 1.00 0.00 H new ATOM 0 HA ASP A 69 -7.330 -15.047 -1.196 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -7.206 -13.721 0.966 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -7.029 -15.452 1.174 1.00 0.00 H new ATOM 1002 N GLU A 70 -5.641 -13.408 -2.654 1.00 0.00 N ATOM 1003 CA GLU A 70 -5.215 -12.148 -3.336 1.00 0.00 C ATOM 1004 C GLU A 70 -6.384 -11.156 -3.381 1.00 0.00 C ATOM 1005 O GLU A 70 -6.200 -9.965 -3.221 1.00 0.00 O ATOM 1006 CB GLU A 70 -4.757 -12.467 -4.765 1.00 0.00 C ATOM 1007 CG GLU A 70 -5.894 -13.131 -5.550 1.00 0.00 C ATOM 1008 CD GLU A 70 -5.312 -13.897 -6.739 1.00 0.00 C ATOM 1009 OE1 GLU A 70 -4.441 -13.355 -7.399 1.00 0.00 O ATOM 1010 OE2 GLU A 70 -5.749 -15.012 -6.971 1.00 0.00 O ATOM 0 H GLU A 70 -5.655 -14.237 -3.249 1.00 0.00 H new ATOM 0 HA GLU A 70 -4.390 -11.703 -2.780 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -4.445 -11.551 -5.267 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -3.890 -13.127 -4.738 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.449 -13.810 -4.903 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.598 -12.376 -5.899 1.00 0.00 H new ATOM 1017 N ASN A 71 -7.578 -11.641 -3.608 1.00 0.00 N ATOM 1018 CA ASN A 71 -8.762 -10.733 -3.678 1.00 0.00 C ATOM 1019 C ASN A 71 -9.080 -10.174 -2.288 1.00 0.00 C ATOM 1020 O ASN A 71 -9.459 -9.026 -2.147 1.00 0.00 O ATOM 1021 CB ASN A 71 -9.970 -11.515 -4.199 1.00 0.00 C ATOM 1022 CG ASN A 71 -9.983 -11.478 -5.727 1.00 0.00 C ATOM 1023 OD1 ASN A 71 -10.283 -10.461 -6.319 1.00 0.00 O ATOM 1024 ND2 ASN A 71 -9.666 -12.553 -6.397 1.00 0.00 N ATOM 0 H ASN A 71 -7.784 -12.630 -3.748 1.00 0.00 H new ATOM 0 HA ASN A 71 -8.538 -9.906 -4.352 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -9.926 -12.547 -3.850 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -10.891 -11.085 -3.807 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -9.670 -12.538 -7.417 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -9.414 -13.408 -5.900 1.00 0.00 H new ATOM 1031 N ASP A 72 -8.936 -10.976 -1.264 1.00 0.00 N ATOM 1032 CA ASP A 72 -9.238 -10.495 0.118 1.00 0.00 C ATOM 1033 C ASP A 72 -8.098 -9.605 0.632 1.00 0.00 C ATOM 1034 O ASP A 72 -8.276 -8.844 1.565 1.00 0.00 O ATOM 1035 CB ASP A 72 -9.405 -11.695 1.051 1.00 0.00 C ATOM 1036 CG ASP A 72 -10.451 -12.650 0.474 1.00 0.00 C ATOM 1037 OD1 ASP A 72 -11.504 -12.176 0.082 1.00 0.00 O ATOM 1038 OD2 ASP A 72 -10.181 -13.840 0.434 1.00 0.00 O ATOM 0 H ASP A 72 -8.622 -11.944 -1.325 1.00 0.00 H new ATOM 0 HA ASP A 72 -10.160 -9.914 0.096 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.453 -12.211 1.170 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -9.712 -11.359 2.042 1.00 0.00 H new ATOM 1043 N ALA A 73 -6.931 -9.697 0.045 1.00 0.00 N ATOM 1044 CA ALA A 73 -5.791 -8.856 0.513 1.00 0.00 C ATOM 1045 C ALA A 73 -5.883 -7.454 -0.095 1.00 0.00 C ATOM 1046 O ALA A 73 -5.665 -6.467 0.579 1.00 0.00 O ATOM 1047 CB ALA A 73 -4.470 -9.499 0.095 1.00 0.00 C ATOM 0 H ALA A 73 -6.720 -10.318 -0.737 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.836 -8.780 1.599 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -3.640 -8.882 0.439 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -4.392 -10.492 0.539 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -4.434 -9.583 -0.991 1.00 0.00 H new ATOM 1053 N LEU A 74 -6.181 -7.359 -1.369 1.00 0.00 N ATOM 1054 CA LEU A 74 -6.260 -6.018 -2.023 1.00 0.00 C ATOM 1055 C LEU A 74 -7.413 -5.201 -1.433 1.00 0.00 C ATOM 1056 O LEU A 74 -7.275 -4.017 -1.189 1.00 0.00 O ATOM 1057 CB LEU A 74 -6.449 -6.186 -3.538 1.00 0.00 C ATOM 1058 CG LEU A 74 -7.758 -6.921 -3.842 1.00 0.00 C ATOM 1059 CD1 LEU A 74 -8.897 -5.907 -4.014 1.00 0.00 C ATOM 1060 CD2 LEU A 74 -7.592 -7.727 -5.135 1.00 0.00 C ATOM 0 H LEU A 74 -6.372 -8.152 -1.982 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.329 -5.482 -1.838 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -6.455 -5.208 -4.019 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -5.609 -6.741 -3.955 1.00 0.00 H new ATOM 0 HG LEU A 74 -7.999 -7.591 -3.017 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -9.825 -6.436 -4.230 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -9.013 -5.331 -3.096 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -8.663 -5.233 -4.838 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -8.520 -8.253 -5.358 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -7.352 -7.052 -5.956 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -6.786 -8.450 -5.012 1.00 0.00 H new ATOM 1072 N ASN A 75 -8.548 -5.817 -1.205 1.00 0.00 N ATOM 1073 CA ASN A 75 -9.702 -5.063 -0.633 1.00 0.00 C ATOM 1074 C ASN A 75 -9.501 -4.875 0.873 1.00 0.00 C ATOM 1075 O ASN A 75 -10.086 -3.992 1.472 1.00 0.00 O ATOM 1076 CB ASN A 75 -11.012 -5.817 -0.899 1.00 0.00 C ATOM 1077 CG ASN A 75 -10.943 -7.229 -0.314 1.00 0.00 C ATOM 1078 OD1 ASN A 75 -9.940 -7.623 0.240 1.00 0.00 O ATOM 1079 ND2 ASN A 75 -11.980 -8.014 -0.418 1.00 0.00 N ATOM 0 H ASN A 75 -8.723 -6.805 -1.390 1.00 0.00 H new ATOM 0 HA ASN A 75 -9.759 -4.085 -1.111 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -11.848 -5.274 -0.457 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -11.197 -5.870 -1.972 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -11.946 -8.958 -0.033 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -12.825 -7.684 -0.884 1.00 0.00 H new ATOM 1086 N ALA A 76 -8.668 -5.682 1.491 1.00 0.00 N ATOM 1087 CA ALA A 76 -8.422 -5.523 2.954 1.00 0.00 C ATOM 1088 C ALA A 76 -7.647 -4.223 3.180 1.00 0.00 C ATOM 1089 O ALA A 76 -8.071 -3.357 3.922 1.00 0.00 O ATOM 1090 CB ALA A 76 -7.604 -6.707 3.471 1.00 0.00 C ATOM 0 H ALA A 76 -8.152 -6.440 1.044 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.371 -5.489 3.490 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -7.426 -6.587 4.540 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.153 -7.632 3.296 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.649 -6.746 2.947 1.00 0.00 H new ATOM 1096 N LEU A 77 -6.513 -4.080 2.538 1.00 0.00 N ATOM 1097 CA LEU A 77 -5.706 -2.838 2.702 1.00 0.00 C ATOM 1098 C LEU A 77 -6.435 -1.658 2.057 1.00 0.00 C ATOM 1099 O LEU A 77 -6.278 -0.527 2.472 1.00 0.00 O ATOM 1100 CB LEU A 77 -4.349 -3.019 2.022 1.00 0.00 C ATOM 1101 CG LEU A 77 -3.676 -4.301 2.543 1.00 0.00 C ATOM 1102 CD1 LEU A 77 -3.347 -5.225 1.369 1.00 0.00 C ATOM 1103 CD2 LEU A 77 -2.385 -3.940 3.280 1.00 0.00 C ATOM 0 H LEU A 77 -6.113 -4.774 1.906 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.564 -2.642 3.765 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.478 -3.078 0.941 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.713 -2.156 2.221 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.356 -4.810 3.226 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.871 -6.132 1.742 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.265 -5.487 0.844 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.670 -4.715 0.683 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.910 -4.849 3.648 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.707 -3.427 2.597 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.617 -3.286 4.120 1.00 0.00 H new ATOM 1115 N GLU A 78 -7.222 -1.909 1.037 1.00 0.00 N ATOM 1116 CA GLU A 78 -7.953 -0.796 0.357 1.00 0.00 C ATOM 1117 C GLU A 78 -8.902 -0.104 1.345 1.00 0.00 C ATOM 1118 O GLU A 78 -8.848 1.099 1.522 1.00 0.00 O ATOM 1119 CB GLU A 78 -8.756 -1.360 -0.822 1.00 0.00 C ATOM 1120 CG GLU A 78 -9.466 -0.222 -1.573 1.00 0.00 C ATOM 1121 CD GLU A 78 -10.970 -0.272 -1.292 1.00 0.00 C ATOM 1122 OE1 GLU A 78 -11.353 0.019 -0.171 1.00 0.00 O ATOM 1123 OE2 GLU A 78 -11.713 -0.600 -2.202 1.00 0.00 O ATOM 0 H GLU A 78 -7.389 -2.837 0.647 1.00 0.00 H new ATOM 0 HA GLU A 78 -7.231 -0.065 -0.008 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -8.092 -1.895 -1.501 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -9.490 -2.080 -0.460 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -9.061 0.740 -1.261 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -9.284 -0.312 -2.644 1.00 0.00 H new ATOM 1130 N GLU A 79 -9.772 -0.850 1.982 1.00 0.00 N ATOM 1131 CA GLU A 79 -10.731 -0.232 2.950 1.00 0.00 C ATOM 1132 C GLU A 79 -9.957 0.469 4.070 1.00 0.00 C ATOM 1133 O GLU A 79 -10.384 1.487 4.583 1.00 0.00 O ATOM 1134 CB GLU A 79 -11.632 -1.319 3.545 1.00 0.00 C ATOM 1135 CG GLU A 79 -10.775 -2.408 4.193 1.00 0.00 C ATOM 1136 CD GLU A 79 -11.681 -3.418 4.899 1.00 0.00 C ATOM 1137 OE1 GLU A 79 -11.985 -3.202 6.061 1.00 0.00 O ATOM 1138 OE2 GLU A 79 -12.055 -4.393 4.267 1.00 0.00 O ATOM 0 H GLU A 79 -9.859 -1.860 1.873 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.347 0.501 2.429 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -12.302 -0.883 4.286 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -12.258 -1.752 2.765 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -10.173 -2.911 3.436 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -10.082 -1.963 4.907 1.00 0.00 H new ATOM 1145 N THR A 80 -8.820 -0.061 4.445 1.00 0.00 N ATOM 1146 CA THR A 80 -8.012 0.580 5.525 1.00 0.00 C ATOM 1147 C THR A 80 -7.522 1.942 5.032 1.00 0.00 C ATOM 1148 O THR A 80 -7.406 2.884 5.791 1.00 0.00 O ATOM 1149 CB THR A 80 -6.811 -0.310 5.858 1.00 0.00 C ATOM 1150 OG1 THR A 80 -7.267 -1.613 6.190 1.00 0.00 O ATOM 1151 CG2 THR A 80 -6.044 0.284 7.042 1.00 0.00 C ATOM 0 H THR A 80 -8.417 -0.910 4.049 1.00 0.00 H new ATOM 0 HA THR A 80 -8.621 0.709 6.420 1.00 0.00 H new ATOM 0 HB THR A 80 -6.150 -0.366 4.993 1.00 0.00 H new ATOM 0 HG1 THR A 80 -7.505 -2.095 5.371 1.00 0.00 H new ATOM 0 HG21 THR A 80 -5.190 -0.351 7.277 1.00 0.00 H new ATOM 0 HG22 THR A 80 -5.693 1.283 6.784 1.00 0.00 H new ATOM 0 HG23 THR A 80 -6.702 0.343 7.909 1.00 0.00 H new ATOM 1159 N MET A 81 -7.239 2.045 3.760 1.00 0.00 N ATOM 1160 CA MET A 81 -6.760 3.335 3.186 1.00 0.00 C ATOM 1161 C MET A 81 -7.917 4.336 3.133 1.00 0.00 C ATOM 1162 O MET A 81 -7.715 5.533 3.186 1.00 0.00 O ATOM 1163 CB MET A 81 -6.239 3.090 1.769 1.00 0.00 C ATOM 1164 CG MET A 81 -5.040 2.142 1.818 1.00 0.00 C ATOM 1165 SD MET A 81 -3.511 3.102 1.964 1.00 0.00 S ATOM 1166 CE MET A 81 -2.860 2.747 0.313 1.00 0.00 C ATOM 0 H MET A 81 -7.321 1.282 3.088 1.00 0.00 H new ATOM 0 HA MET A 81 -5.962 3.737 3.810 1.00 0.00 H new ATOM 0 HB2 MET A 81 -7.028 2.663 1.150 1.00 0.00 H new ATOM 0 HB3 MET A 81 -5.949 4.035 1.309 1.00 0.00 H new ATOM 0 HG2 MET A 81 -5.136 1.462 2.664 1.00 0.00 H new ATOM 0 HG3 MET A 81 -5.012 1.529 0.917 1.00 0.00 H new ATOM 0 HE1 MET A 81 -1.902 3.250 0.184 1.00 0.00 H new ATOM 0 HE2 MET A 81 -2.723 1.672 0.199 1.00 0.00 H new ATOM 0 HE3 MET A 81 -3.562 3.105 -0.440 1.00 0.00 H new ATOM 1176 N LYS A 82 -9.127 3.849 3.017 1.00 0.00 N ATOM 1177 CA LYS A 82 -10.308 4.760 2.946 1.00 0.00 C ATOM 1178 C LYS A 82 -10.731 5.189 4.357 1.00 0.00 C ATOM 1179 O LYS A 82 -11.358 6.216 4.535 1.00 0.00 O ATOM 1180 CB LYS A 82 -11.469 4.024 2.271 1.00 0.00 C ATOM 1181 CG LYS A 82 -11.164 3.845 0.781 1.00 0.00 C ATOM 1182 CD LYS A 82 -12.295 3.056 0.116 1.00 0.00 C ATOM 1183 CE LYS A 82 -13.267 4.022 -0.567 1.00 0.00 C ATOM 1184 NZ LYS A 82 -12.971 4.072 -2.027 1.00 0.00 N ATOM 0 H LYS A 82 -9.348 2.854 2.968 1.00 0.00 H new ATOM 0 HA LYS A 82 -10.042 5.647 2.370 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -11.620 3.052 2.741 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -12.394 4.587 2.399 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -11.056 4.818 0.302 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -10.217 3.320 0.654 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -11.884 2.360 -0.616 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -12.823 2.460 0.861 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -14.295 3.697 -0.404 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -13.174 5.017 -0.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -13.630 4.728 -2.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -11.995 4.401 -2.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -13.081 3.122 -2.436 1.00 0.00 H new ATOM 1198 N SER A 83 -10.400 4.411 5.359 1.00 0.00 N ATOM 1199 CA SER A 83 -10.790 4.771 6.755 1.00 0.00 C ATOM 1200 C SER A 83 -9.743 5.708 7.364 1.00 0.00 C ATOM 1201 O SER A 83 -10.059 6.551 8.183 1.00 0.00 O ATOM 1202 CB SER A 83 -10.887 3.500 7.599 1.00 0.00 C ATOM 1203 OG SER A 83 -9.863 2.596 7.205 1.00 0.00 O ATOM 0 H SER A 83 -9.876 3.541 5.268 1.00 0.00 H new ATOM 0 HA SER A 83 -11.756 5.276 6.739 1.00 0.00 H new ATOM 0 HB2 SER A 83 -10.786 3.743 8.657 1.00 0.00 H new ATOM 0 HB3 SER A 83 -11.866 3.038 7.470 1.00 0.00 H new ATOM 0 HG SER A 83 -10.135 2.130 6.387 1.00 0.00 H new ATOM 1209 N GLU A 84 -8.503 5.564 6.974 1.00 0.00 N ATOM 1210 CA GLU A 84 -7.429 6.441 7.529 1.00 0.00 C ATOM 1211 C GLU A 84 -7.210 7.650 6.611 1.00 0.00 C ATOM 1212 O GLU A 84 -6.690 8.665 7.032 1.00 0.00 O ATOM 1213 CB GLU A 84 -6.127 5.644 7.636 1.00 0.00 C ATOM 1214 CG GLU A 84 -6.319 4.479 8.609 1.00 0.00 C ATOM 1215 CD GLU A 84 -6.308 5.004 10.045 1.00 0.00 C ATOM 1216 OE1 GLU A 84 -5.413 5.768 10.370 1.00 0.00 O ATOM 1217 OE2 GLU A 84 -7.196 4.636 10.796 1.00 0.00 O ATOM 0 H GLU A 84 -8.187 4.874 6.292 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.730 6.792 8.516 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.837 5.268 6.655 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.320 6.290 7.981 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.262 3.972 8.404 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -5.526 3.744 8.474 1.00 0.00 H new ATOM 1224 N GLY A 85 -7.596 7.545 5.363 1.00 0.00 N ATOM 1225 CA GLY A 85 -7.403 8.685 4.418 1.00 0.00 C ATOM 1226 C GLY A 85 -5.962 8.678 3.911 1.00 0.00 C ATOM 1227 O GLY A 85 -5.378 9.716 3.659 1.00 0.00 O ATOM 0 H GLY A 85 -8.036 6.718 4.959 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -8.096 8.601 3.581 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -7.621 9.629 4.918 1.00 0.00 H new ATOM 1231 N LEU A 86 -5.384 7.513 3.764 1.00 0.00 N ATOM 1232 CA LEU A 86 -3.978 7.420 3.277 1.00 0.00 C ATOM 1233 C LEU A 86 -3.955 7.526 1.751 1.00 0.00 C ATOM 1234 O LEU A 86 -3.352 8.424 1.193 1.00 0.00 O ATOM 1235 CB LEU A 86 -3.383 6.079 3.702 1.00 0.00 C ATOM 1236 CG LEU A 86 -3.170 6.078 5.215 1.00 0.00 C ATOM 1237 CD1 LEU A 86 -2.816 4.666 5.675 1.00 0.00 C ATOM 1238 CD2 LEU A 86 -2.027 7.032 5.571 1.00 0.00 C ATOM 0 H LEU A 86 -5.830 6.618 3.962 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.391 8.233 3.705 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.050 5.265 3.417 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.436 5.910 3.190 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.083 6.406 5.712 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.663 4.662 6.754 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.629 3.986 5.421 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.902 4.340 5.178 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.875 7.031 6.650 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.113 6.705 5.076 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.278 8.040 5.241 1.00 0.00 H new ATOM 1250 N GLY A 87 -4.608 6.615 1.075 1.00 0.00 N ATOM 1251 CA GLY A 87 -4.632 6.653 -0.416 1.00 0.00 C ATOM 1252 C GLY A 87 -5.997 6.182 -0.919 1.00 0.00 C ATOM 1253 O GLY A 87 -6.703 5.460 -0.239 1.00 0.00 O ATOM 0 H GLY A 87 -5.127 5.844 1.495 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -4.433 7.666 -0.767 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -3.845 6.016 -0.819 1.00 0.00 H new ATOM 1257 N GLU A 88 -6.371 6.587 -2.105 1.00 0.00 N ATOM 1258 CA GLU A 88 -7.691 6.170 -2.665 1.00 0.00 C ATOM 1259 C GLU A 88 -7.529 5.825 -4.146 1.00 0.00 C ATOM 1260 O GLU A 88 -8.139 4.862 -4.580 1.00 0.00 O ATOM 1261 CB GLU A 88 -8.696 7.315 -2.514 1.00 0.00 C ATOM 1262 CG GLU A 88 -8.108 8.597 -3.111 1.00 0.00 C ATOM 1263 CD GLU A 88 -9.019 9.780 -2.779 1.00 0.00 C ATOM 1264 OE1 GLU A 88 -8.848 10.353 -1.715 1.00 0.00 O ATOM 1265 OE2 GLU A 88 -9.872 10.095 -3.593 1.00 0.00 O ATOM 1266 OXT GLU A 88 -6.798 6.529 -4.822 1.00 0.00 O ATOM 0 H GLU A 88 -5.817 7.191 -2.712 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.055 5.296 -2.125 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -9.629 7.062 -3.018 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -8.933 7.468 -1.461 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -7.109 8.771 -2.712 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -8.007 8.494 -4.191 1.00 0.00 H new