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 Single : A 3 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 4 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0639) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -179:sc= 0 (180deg=-1.1e-05) USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.0188 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0373 USER MOD Single : A 20 THR OG1 : rot 85:sc= 0.856 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.00224 USER MOD Single : A 27 SER OG : rot 160:sc= -0.615 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 165:sc= -0.364 USER MOD Single : A 34 ASN : amide:sc= -0.15 X(o=-0.15,f=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 40 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0565) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.886 USER MOD Single : A 43 ASN : amide:sc= -1.64 K(o=-1.6,f=-8.2!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 160:sc= -0.607 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot -60:sc= 1.14 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 49:sc= 0.0846 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc=-0.00904 K(o=-0.009,f=-1.5) USER MOD Single : A 75 ASN : amide:sc= -4.02 K(o=-4,f=-16!) USER MOD Single : A 80 THR OG1 : rot 76:sc= 0.451 USER MOD Single : A 81 MET CE :methyl -179:sc= -1.41 (180deg=-1.41) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0.0101 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -6.338 -9.686 -9.760 1.00 0.00 N ATOM 2 CA ALA A 2 -6.647 -9.343 -8.343 1.00 0.00 C ATOM 3 C ALA A 2 -5.740 -8.196 -7.888 1.00 0.00 C ATOM 4 O ALA A 2 -5.178 -8.225 -6.807 1.00 0.00 O ATOM 5 CB ALA A 2 -6.409 -10.571 -7.461 1.00 0.00 C ATOM 0 HA ALA A 2 -7.689 -9.034 -8.259 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -6.634 -10.323 -6.424 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -7.056 -11.385 -7.788 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -5.367 -10.881 -7.542 1.00 0.00 H new ATOM 13 N GLN A 3 -5.597 -7.185 -8.706 1.00 0.00 N ATOM 14 CA GLN A 3 -4.730 -6.028 -8.332 1.00 0.00 C ATOM 15 C GLN A 3 -5.580 -4.759 -8.256 1.00 0.00 C ATOM 16 O GLN A 3 -6.603 -4.649 -8.907 1.00 0.00 O ATOM 17 CB GLN A 3 -3.629 -5.842 -9.382 1.00 0.00 C ATOM 18 CG GLN A 3 -4.244 -5.815 -10.785 1.00 0.00 C ATOM 19 CD GLN A 3 -3.142 -5.585 -11.821 1.00 0.00 C ATOM 20 OE1 GLN A 3 -2.054 -6.113 -11.696 1.00 0.00 O ATOM 21 NE2 GLN A 3 -3.378 -4.814 -12.847 1.00 0.00 N ATOM 0 H GLN A 3 -6.045 -7.111 -9.619 1.00 0.00 H new ATOM 0 HA GLN A 3 -4.272 -6.221 -7.362 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -3.089 -4.914 -9.195 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -2.904 -6.653 -9.309 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -4.757 -6.755 -10.987 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -4.991 -5.024 -10.851 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -4.291 -4.371 -12.953 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -2.650 -4.655 -13.543 1.00 0.00 H new ATOM 30 N LYS A 4 -5.163 -3.805 -7.465 1.00 0.00 N ATOM 31 CA LYS A 4 -5.945 -2.539 -7.339 1.00 0.00 C ATOM 32 C LYS A 4 -4.993 -1.341 -7.388 1.00 0.00 C ATOM 33 O LYS A 4 -3.914 -1.371 -6.828 1.00 0.00 O ATOM 34 CB LYS A 4 -6.709 -2.541 -6.008 1.00 0.00 C ATOM 35 CG LYS A 4 -8.139 -2.044 -6.231 1.00 0.00 C ATOM 36 CD LYS A 4 -8.988 -2.368 -5.001 1.00 0.00 C ATOM 37 CE LYS A 4 -10.062 -1.295 -4.827 1.00 0.00 C ATOM 38 NZ LYS A 4 -11.022 -1.366 -5.965 1.00 0.00 N ATOM 0 H LYS A 4 -4.314 -3.848 -6.901 1.00 0.00 H new ATOM 0 HA LYS A 4 -6.655 -2.466 -8.163 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -6.725 -3.547 -5.589 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -6.201 -1.903 -5.285 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -8.138 -0.969 -6.413 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.566 -2.516 -7.116 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.452 -3.348 -5.114 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -8.358 -2.415 -4.113 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.588 -1.441 -3.884 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -9.602 -0.308 -4.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -11.825 -0.732 -5.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -10.544 -1.074 -6.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -11.367 -2.342 -6.067 1.00 0.00 H new ATOM 52 N THR A 5 -5.392 -0.285 -8.053 1.00 0.00 N ATOM 53 CA THR A 5 -4.522 0.924 -8.144 1.00 0.00 C ATOM 54 C THR A 5 -4.945 1.934 -7.075 1.00 0.00 C ATOM 55 O THR A 5 -6.113 2.250 -6.938 1.00 0.00 O ATOM 56 CB THR A 5 -4.670 1.556 -9.530 1.00 0.00 C ATOM 57 OG1 THR A 5 -4.548 0.548 -10.524 1.00 0.00 O ATOM 58 CG2 THR A 5 -3.581 2.610 -9.733 1.00 0.00 C ATOM 0 H THR A 5 -6.286 -0.210 -8.538 1.00 0.00 H new ATOM 0 HA THR A 5 -3.482 0.638 -7.985 1.00 0.00 H new ATOM 0 HB THR A 5 -5.648 2.030 -9.610 1.00 0.00 H new ATOM 0 HG1 THR A 5 -4.644 0.951 -11.412 1.00 0.00 H new ATOM 0 HG21 THR A 5 -3.688 3.059 -10.721 1.00 0.00 H new ATOM 0 HG22 THR A 5 -3.677 3.383 -8.971 1.00 0.00 H new ATOM 0 HG23 THR A 5 -2.601 2.140 -9.653 1.00 0.00 H new ATOM 66 N PHE A 6 -4.005 2.439 -6.318 1.00 0.00 N ATOM 67 CA PHE A 6 -4.344 3.428 -5.255 1.00 0.00 C ATOM 68 C PHE A 6 -3.647 4.758 -5.550 1.00 0.00 C ATOM 69 O PHE A 6 -2.570 4.790 -6.117 1.00 0.00 O ATOM 70 CB PHE A 6 -3.873 2.900 -3.899 1.00 0.00 C ATOM 71 CG PHE A 6 -4.662 1.667 -3.531 1.00 0.00 C ATOM 72 CD1 PHE A 6 -5.885 1.792 -2.860 1.00 0.00 C ATOM 73 CD2 PHE A 6 -4.170 0.398 -3.859 1.00 0.00 C ATOM 74 CE1 PHE A 6 -6.615 0.649 -2.516 1.00 0.00 C ATOM 75 CE2 PHE A 6 -4.901 -0.746 -3.514 1.00 0.00 C ATOM 76 CZ PHE A 6 -6.124 -0.621 -2.843 1.00 0.00 C ATOM 0 H PHE A 6 -3.014 2.207 -6.392 1.00 0.00 H new ATOM 0 HA PHE A 6 -5.423 3.580 -5.234 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -2.810 2.664 -3.939 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -4.001 3.667 -3.135 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -6.265 2.771 -2.608 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -3.228 0.301 -4.378 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -7.558 0.746 -1.998 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -4.521 -1.725 -3.766 1.00 0.00 H new ATOM 0 HZ PHE A 6 -6.688 -1.503 -2.578 1.00 0.00 H new ATOM 86 N LYS A 7 -4.250 5.853 -5.161 1.00 0.00 N ATOM 87 CA LYS A 7 -3.627 7.186 -5.408 1.00 0.00 C ATOM 88 C LYS A 7 -3.125 7.758 -4.080 1.00 0.00 C ATOM 89 O LYS A 7 -3.866 7.859 -3.120 1.00 0.00 O ATOM 90 CB LYS A 7 -4.667 8.132 -6.021 1.00 0.00 C ATOM 91 CG LYS A 7 -4.024 8.947 -7.148 1.00 0.00 C ATOM 92 CD LYS A 7 -3.156 10.061 -6.551 1.00 0.00 C ATOM 93 CE LYS A 7 -3.919 11.388 -6.593 1.00 0.00 C ATOM 94 NZ LYS A 7 -3.846 11.958 -7.968 1.00 0.00 N ATOM 0 H LYS A 7 -5.150 5.880 -4.682 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.790 7.080 -6.098 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.510 7.559 -6.409 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.061 8.800 -5.255 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -3.416 8.298 -7.778 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.797 9.377 -7.785 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.889 9.816 -5.523 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -2.224 10.148 -7.110 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.959 11.231 -6.307 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -3.493 12.088 -5.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -4.349 12.868 -7.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.850 12.106 -8.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -4.287 11.299 -8.641 1.00 0.00 H new ATOM 108 N VAL A 8 -1.872 8.123 -4.019 1.00 0.00 N ATOM 109 CA VAL A 8 -1.308 8.683 -2.754 1.00 0.00 C ATOM 110 C VAL A 8 -1.668 10.165 -2.644 1.00 0.00 C ATOM 111 O VAL A 8 -1.299 10.965 -3.483 1.00 0.00 O ATOM 112 CB VAL A 8 0.217 8.529 -2.754 1.00 0.00 C ATOM 113 CG1 VAL A 8 0.761 8.866 -1.365 1.00 0.00 C ATOM 114 CG2 VAL A 8 0.591 7.086 -3.107 1.00 0.00 C ATOM 0 H VAL A 8 -1.212 8.057 -4.794 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.726 8.142 -1.905 1.00 0.00 H new ATOM 0 HB VAL A 8 0.647 9.206 -3.492 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.846 8.757 -1.363 1.00 0.00 H new ATOM 0 HG12 VAL A 8 0.499 9.893 -1.111 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.327 8.188 -0.630 1.00 0.00 H new ATOM 0 HG21 VAL A 8 1.676 6.981 -3.106 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.160 6.408 -2.371 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.204 6.841 -4.096 1.00 0.00 H new ATOM 124 N THR A 9 -2.383 10.535 -1.612 1.00 0.00 N ATOM 125 CA THR A 9 -2.770 11.966 -1.435 1.00 0.00 C ATOM 126 C THR A 9 -2.673 12.355 0.045 1.00 0.00 C ATOM 127 O THR A 9 -3.300 13.302 0.484 1.00 0.00 O ATOM 128 CB THR A 9 -4.207 12.169 -1.920 1.00 0.00 C ATOM 129 OG1 THR A 9 -4.420 11.400 -3.096 1.00 0.00 O ATOM 130 CG2 THR A 9 -4.442 13.649 -2.226 1.00 0.00 C ATOM 0 H THR A 9 -2.716 9.905 -0.882 1.00 0.00 H new ATOM 0 HA THR A 9 -2.094 12.593 -2.016 1.00 0.00 H new ATOM 0 HB THR A 9 -4.901 11.848 -1.144 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.340 11.527 -3.408 1.00 0.00 H new ATOM 0 HG21 THR A 9 -5.466 13.791 -2.571 1.00 0.00 H new ATOM 0 HG22 THR A 9 -4.278 14.238 -1.323 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.749 13.975 -3.002 1.00 0.00 H new ATOM 138 N ALA A 10 -1.894 11.634 0.818 1.00 0.00 N ATOM 139 CA ALA A 10 -1.757 11.961 2.265 1.00 0.00 C ATOM 140 C ALA A 10 -0.819 13.159 2.432 1.00 0.00 C ATOM 141 O ALA A 10 0.139 13.313 1.699 1.00 0.00 O ATOM 142 CB ALA A 10 -1.181 10.755 3.009 1.00 0.00 C ATOM 0 H ALA A 10 -1.348 10.832 0.503 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.737 12.207 2.675 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.081 10.994 4.068 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.849 9.902 2.892 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -0.202 10.508 2.599 1.00 0.00 H new ATOM 148 N ASP A 11 -1.090 14.004 3.394 1.00 0.00 N ATOM 149 CA ASP A 11 -0.219 15.195 3.618 1.00 0.00 C ATOM 150 C ASP A 11 1.181 14.729 4.028 1.00 0.00 C ATOM 151 O ASP A 11 2.177 15.272 3.587 1.00 0.00 O ATOM 152 CB ASP A 11 -0.816 16.062 4.729 1.00 0.00 C ATOM 153 CG ASP A 11 -1.049 15.208 5.976 1.00 0.00 C ATOM 154 OD1 ASP A 11 -0.116 15.056 6.749 1.00 0.00 O ATOM 155 OD2 ASP A 11 -2.155 14.721 6.138 1.00 0.00 O ATOM 0 H ASP A 11 -1.879 13.919 4.035 1.00 0.00 H new ATOM 0 HA ASP A 11 -0.154 15.778 2.700 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -0.143 16.887 4.962 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.756 16.501 4.396 1.00 0.00 H new ATOM 160 N SER A 12 1.260 13.729 4.867 1.00 0.00 N ATOM 161 CA SER A 12 2.591 13.219 5.311 1.00 0.00 C ATOM 162 C SER A 12 3.187 12.330 4.218 1.00 0.00 C ATOM 163 O SER A 12 4.391 12.249 4.061 1.00 0.00 O ATOM 164 CB SER A 12 2.425 12.403 6.594 1.00 0.00 C ATOM 165 OG SER A 12 1.205 11.674 6.531 1.00 0.00 O ATOM 0 H SER A 12 0.457 13.242 5.265 1.00 0.00 H new ATOM 0 HA SER A 12 3.256 14.062 5.500 1.00 0.00 H new ATOM 0 HB2 SER A 12 3.265 11.719 6.715 1.00 0.00 H new ATOM 0 HB3 SER A 12 2.424 13.063 7.461 1.00 0.00 H new ATOM 0 HG SER A 12 1.095 11.148 7.351 1.00 0.00 H new ATOM 171 N GLY A 13 2.351 11.661 3.466 1.00 0.00 N ATOM 172 CA GLY A 13 2.858 10.771 2.381 1.00 0.00 C ATOM 173 C GLY A 13 2.791 9.316 2.848 1.00 0.00 C ATOM 174 O GLY A 13 1.876 8.923 3.548 1.00 0.00 O ATOM 0 H GLY A 13 1.336 11.694 3.558 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.262 10.903 1.478 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.884 11.037 2.127 1.00 0.00 H new ATOM 178 N ILE A 14 3.752 8.515 2.464 1.00 0.00 N ATOM 179 CA ILE A 14 3.749 7.083 2.881 1.00 0.00 C ATOM 180 C ILE A 14 5.084 6.739 3.549 1.00 0.00 C ATOM 181 O ILE A 14 5.976 6.195 2.925 1.00 0.00 O ATOM 182 CB ILE A 14 3.548 6.193 1.652 1.00 0.00 C ATOM 183 CG1 ILE A 14 2.283 6.638 0.909 1.00 0.00 C ATOM 184 CG2 ILE A 14 3.397 4.736 2.096 1.00 0.00 C ATOM 185 CD1 ILE A 14 2.112 5.812 -0.368 1.00 0.00 C ATOM 0 H ILE A 14 4.540 8.793 1.878 1.00 0.00 H new ATOM 0 HA ILE A 14 2.937 6.914 3.588 1.00 0.00 H new ATOM 0 HB ILE A 14 4.410 6.280 0.990 1.00 0.00 H new ATOM 0 HG12 ILE A 14 1.411 6.515 1.551 1.00 0.00 H new ATOM 0 HG13 ILE A 14 2.350 7.697 0.661 1.00 0.00 H new ATOM 0 HG21 ILE A 14 3.254 4.102 1.221 1.00 0.00 H new ATOM 0 HG22 ILE A 14 4.295 4.423 2.628 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.534 4.644 2.756 1.00 0.00 H new ATOM 0 HD11 ILE A 14 1.211 6.133 -0.891 1.00 0.00 H new ATOM 0 HD12 ILE A 14 2.978 5.957 -1.014 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.025 4.757 -0.110 1.00 0.00 H new ATOM 218 N ALA A 16 7.149 5.362 7.427 1.00 0.00 N ATOM 219 CA ALA A 16 7.044 4.178 8.337 1.00 0.00 C ATOM 220 C ALA A 16 5.675 4.107 9.033 1.00 0.00 C ATOM 221 O ALA A 16 5.225 3.032 9.382 1.00 0.00 O ATOM 222 CB ALA A 16 8.145 4.254 9.395 1.00 0.00 C ATOM 0 HA ALA A 16 7.157 3.280 7.730 1.00 0.00 H new ATOM 0 HB1 ALA A 16 8.071 3.393 10.059 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.120 4.253 8.907 1.00 0.00 H new ATOM 0 HB3 ALA A 16 8.030 5.170 9.974 1.00 0.00 H new ATOM 228 N ARG A 17 5.013 5.219 9.259 1.00 0.00 N ATOM 229 CA ARG A 17 3.684 5.160 9.954 1.00 0.00 C ATOM 230 C ARG A 17 2.682 4.356 9.098 1.00 0.00 C ATOM 231 O ARG A 17 2.212 3.322 9.538 1.00 0.00 O ATOM 232 CB ARG A 17 3.156 6.575 10.217 1.00 0.00 C ATOM 233 CG ARG A 17 3.747 7.115 11.523 1.00 0.00 C ATOM 234 CD ARG A 17 3.256 6.275 12.705 1.00 0.00 C ATOM 235 NE ARG A 17 2.862 7.177 13.824 1.00 0.00 N ATOM 236 CZ ARG A 17 2.156 6.712 14.817 1.00 0.00 C ATOM 237 NH1 ARG A 17 2.734 6.024 15.764 1.00 0.00 N ATOM 238 NH2 ARG A 17 0.872 6.937 14.865 1.00 0.00 N ATOM 0 H ARG A 17 5.329 6.153 8.997 1.00 0.00 H new ATOM 0 HA ARG A 17 3.807 4.659 10.914 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.421 7.232 9.388 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.068 6.562 10.278 1.00 0.00 H new ATOM 0 HG2 ARG A 17 4.836 7.091 11.477 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.456 8.156 11.660 1.00 0.00 H new ATOM 0 HD2 ARG A 17 2.407 5.662 12.402 1.00 0.00 H new ATOM 0 HD3 ARG A 17 4.041 5.593 13.032 1.00 0.00 H new ATOM 0 HE ARG A 17 3.144 8.157 13.813 1.00 0.00 H new ATOM 0 HH11 ARG A 17 3.738 5.850 15.728 1.00 0.00 H new ATOM 0 HH12 ARG A 17 2.181 5.661 16.540 1.00 0.00 H new ATOM 0 HH21 ARG A 17 0.421 7.476 14.126 1.00 0.00 H new ATOM 0 HH22 ARG A 17 0.319 6.574 15.641 1.00 0.00 H new ATOM 252 N PRO A 18 2.387 4.813 7.889 1.00 0.00 N ATOM 253 CA PRO A 18 1.459 4.084 7.001 1.00 0.00 C ATOM 254 C PRO A 18 2.091 2.769 6.526 1.00 0.00 C ATOM 255 O PRO A 18 1.412 1.905 6.007 1.00 0.00 O ATOM 256 CB PRO A 18 1.227 5.048 5.834 1.00 0.00 C ATOM 257 CG PRO A 18 2.427 6.016 5.836 1.00 0.00 C ATOM 258 CD PRO A 18 2.933 6.056 7.286 1.00 0.00 C ATOM 0 HA PRO A 18 0.528 3.805 7.494 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.163 4.508 4.889 1.00 0.00 H new ATOM 0 HB3 PRO A 18 0.289 5.589 5.956 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.208 5.671 5.159 1.00 0.00 H new ATOM 0 HG3 PRO A 18 2.129 7.009 5.499 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.022 6.076 7.329 1.00 0.00 H new ATOM 0 HD3 PRO A 18 2.577 6.944 7.809 1.00 0.00 H new ATOM 266 N ALA A 19 3.382 2.604 6.711 1.00 0.00 N ATOM 267 CA ALA A 19 4.046 1.340 6.287 1.00 0.00 C ATOM 268 C ALA A 19 3.747 0.255 7.323 1.00 0.00 C ATOM 269 O ALA A 19 3.672 -0.913 7.003 1.00 0.00 O ATOM 270 CB ALA A 19 5.558 1.557 6.198 1.00 0.00 C ATOM 0 H ALA A 19 4.000 3.294 7.138 1.00 0.00 H new ATOM 0 HA ALA A 19 3.671 1.036 5.310 1.00 0.00 H new ATOM 0 HB1 ALA A 19 6.041 0.630 5.888 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.771 2.339 5.469 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.941 1.856 7.174 1.00 0.00 H new ATOM 276 N THR A 20 3.571 0.641 8.565 1.00 0.00 N ATOM 277 CA THR A 20 3.271 -0.356 9.635 1.00 0.00 C ATOM 278 C THR A 20 1.790 -0.737 9.580 1.00 0.00 C ATOM 279 O THR A 20 1.411 -1.830 9.955 1.00 0.00 O ATOM 280 CB THR A 20 3.588 0.252 11.004 1.00 0.00 C ATOM 281 OG1 THR A 20 4.705 1.122 10.887 1.00 0.00 O ATOM 282 CG2 THR A 20 3.910 -0.863 11.998 1.00 0.00 C ATOM 0 H THR A 20 3.623 1.609 8.882 1.00 0.00 H new ATOM 0 HA THR A 20 3.881 -1.246 9.481 1.00 0.00 H new ATOM 0 HB THR A 20 2.725 0.814 11.360 1.00 0.00 H new ATOM 0 HG1 THR A 20 4.400 2.009 10.603 1.00 0.00 H new ATOM 0 HG21 THR A 20 4.135 -0.428 12.972 1.00 0.00 H new ATOM 0 HG22 THR A 20 3.052 -1.529 12.088 1.00 0.00 H new ATOM 0 HG23 THR A 20 4.773 -1.428 11.644 1.00 0.00 H new ATOM 290 N VAL A 21 0.953 0.153 9.110 1.00 0.00 N ATOM 291 CA VAL A 21 -0.506 -0.159 9.024 1.00 0.00 C ATOM 292 C VAL A 21 -0.748 -1.093 7.840 1.00 0.00 C ATOM 293 O VAL A 21 -1.425 -2.100 7.946 1.00 0.00 O ATOM 294 CB VAL A 21 -1.296 1.129 8.804 1.00 0.00 C ATOM 295 CG1 VAL A 21 -2.792 0.843 8.958 1.00 0.00 C ATOM 296 CG2 VAL A 21 -0.872 2.182 9.832 1.00 0.00 C ATOM 0 H VAL A 21 1.217 1.082 8.782 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.829 -0.633 9.951 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.096 1.505 7.801 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.356 1.762 8.801 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.098 0.099 8.222 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.989 0.463 9.961 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.439 3.098 9.669 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.067 1.808 10.837 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.192 2.390 9.722 1.00 0.00 H new ATOM 306 N LEU A 22 -0.201 -0.745 6.711 1.00 0.00 N ATOM 307 CA LEU A 22 -0.380 -1.568 5.486 1.00 0.00 C ATOM 308 C LEU A 22 0.292 -2.933 5.651 1.00 0.00 C ATOM 309 O LEU A 22 -0.256 -3.946 5.266 1.00 0.00 O ATOM 310 CB LEU A 22 0.261 -0.830 4.314 1.00 0.00 C ATOM 311 CG LEU A 22 -0.481 0.484 4.067 1.00 0.00 C ATOM 312 CD1 LEU A 22 0.251 1.275 2.983 1.00 0.00 C ATOM 313 CD2 LEU A 22 -1.908 0.186 3.603 1.00 0.00 C ATOM 0 H LEU A 22 0.372 0.089 6.584 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.444 -1.726 5.308 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.311 -0.632 4.527 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.229 -1.451 3.419 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.515 1.065 4.989 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.273 2.214 2.801 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.269 1.485 3.311 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.279 0.691 2.063 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.437 1.123 3.427 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.877 -0.392 2.679 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.429 -0.385 4.371 1.00 0.00 H new ATOM 325 N VAL A 23 1.476 -2.968 6.206 1.00 0.00 N ATOM 326 CA VAL A 23 2.185 -4.272 6.380 1.00 0.00 C ATOM 327 C VAL A 23 1.396 -5.169 7.343 1.00 0.00 C ATOM 328 O VAL A 23 1.431 -6.378 7.244 1.00 0.00 O ATOM 329 CB VAL A 23 3.604 -4.025 6.927 1.00 0.00 C ATOM 330 CG1 VAL A 23 3.534 -3.424 8.335 1.00 0.00 C ATOM 331 CG2 VAL A 23 4.362 -5.352 6.984 1.00 0.00 C ATOM 0 H VAL A 23 1.983 -2.151 6.546 1.00 0.00 H new ATOM 0 HA VAL A 23 2.260 -4.772 5.414 1.00 0.00 H new ATOM 0 HB VAL A 23 4.121 -3.327 6.268 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.544 -3.255 8.709 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.997 -2.476 8.300 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.012 -4.113 8.999 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.367 -5.181 7.371 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.834 -6.045 7.639 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.426 -5.778 5.983 1.00 0.00 H new ATOM 341 N GLN A 24 0.696 -4.579 8.278 1.00 0.00 N ATOM 342 CA GLN A 24 -0.088 -5.387 9.260 1.00 0.00 C ATOM 343 C GLN A 24 -1.294 -6.030 8.568 1.00 0.00 C ATOM 344 O GLN A 24 -1.751 -7.086 8.964 1.00 0.00 O ATOM 345 CB GLN A 24 -0.578 -4.478 10.391 1.00 0.00 C ATOM 346 CG GLN A 24 0.545 -4.265 11.418 1.00 0.00 C ATOM 347 CD GLN A 24 0.164 -4.916 12.751 1.00 0.00 C ATOM 348 OE1 GLN A 24 -0.707 -4.435 13.448 1.00 0.00 O ATOM 349 NE2 GLN A 24 0.787 -5.995 13.137 1.00 0.00 N ATOM 0 H GLN A 24 0.634 -3.569 8.404 1.00 0.00 H new ATOM 0 HA GLN A 24 0.551 -6.171 9.667 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -0.897 -3.518 9.985 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.446 -4.924 10.876 1.00 0.00 H new ATOM 0 HG2 GLN A 24 1.475 -4.695 11.047 1.00 0.00 H new ATOM 0 HG3 GLN A 24 0.721 -3.199 11.561 1.00 0.00 H new ATOM 0 HE21 GLN A 24 1.518 -6.399 12.552 1.00 0.00 H new ATOM 0 HE22 GLN A 24 0.543 -6.435 14.024 1.00 0.00 H new ATOM 358 N THR A 25 -1.818 -5.397 7.549 1.00 0.00 N ATOM 359 CA THR A 25 -3.005 -5.965 6.839 1.00 0.00 C ATOM 360 C THR A 25 -2.568 -7.055 5.853 1.00 0.00 C ATOM 361 O THR A 25 -3.009 -8.185 5.932 1.00 0.00 O ATOM 362 CB THR A 25 -3.719 -4.847 6.079 1.00 0.00 C ATOM 363 OG1 THR A 25 -3.566 -3.624 6.784 1.00 0.00 O ATOM 364 CG2 THR A 25 -5.206 -5.184 5.954 1.00 0.00 C ATOM 0 H THR A 25 -1.475 -4.511 7.178 1.00 0.00 H new ATOM 0 HA THR A 25 -3.680 -6.406 7.573 1.00 0.00 H new ATOM 0 HB THR A 25 -3.285 -4.749 5.084 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.022 -2.906 6.297 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.715 -4.387 5.412 1.00 0.00 H new ATOM 0 HG22 THR A 25 -5.322 -6.123 5.412 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.642 -5.283 6.948 1.00 0.00 H new ATOM 372 N ALA A 26 -1.719 -6.717 4.916 1.00 0.00 N ATOM 373 CA ALA A 26 -1.261 -7.720 3.908 1.00 0.00 C ATOM 374 C ALA A 26 -0.527 -8.875 4.598 1.00 0.00 C ATOM 375 O ALA A 26 -0.508 -9.986 4.102 1.00 0.00 O ATOM 376 CB ALA A 26 -0.317 -7.044 2.912 1.00 0.00 C ATOM 0 H ALA A 26 -1.321 -5.784 4.806 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.132 -8.117 3.385 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.018 -7.774 2.176 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.841 -6.233 2.406 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.546 -6.642 3.443 1.00 0.00 H new ATOM 382 N SER A 27 0.080 -8.624 5.733 1.00 0.00 N ATOM 383 CA SER A 27 0.816 -9.709 6.450 1.00 0.00 C ATOM 384 C SER A 27 -0.149 -10.846 6.796 1.00 0.00 C ATOM 385 O SER A 27 0.225 -12.005 6.815 1.00 0.00 O ATOM 386 CB SER A 27 1.420 -9.147 7.735 1.00 0.00 C ATOM 387 OG SER A 27 0.405 -8.490 8.483 1.00 0.00 O ATOM 0 H SER A 27 0.097 -7.714 6.193 1.00 0.00 H new ATOM 0 HA SER A 27 1.610 -10.092 5.809 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.860 -9.951 8.325 1.00 0.00 H new ATOM 0 HB3 SER A 27 2.223 -8.449 7.498 1.00 0.00 H new ATOM 0 HG SER A 27 0.687 -8.412 9.418 1.00 0.00 H new ATOM 393 N LYS A 28 -1.385 -10.519 7.062 1.00 0.00 N ATOM 394 CA LYS A 28 -2.387 -11.572 7.401 1.00 0.00 C ATOM 395 C LYS A 28 -2.756 -12.343 6.132 1.00 0.00 C ATOM 396 O LYS A 28 -3.090 -13.511 6.181 1.00 0.00 O ATOM 397 CB LYS A 28 -3.650 -10.926 7.994 1.00 0.00 C ATOM 398 CG LYS A 28 -3.279 -9.885 9.065 1.00 0.00 C ATOM 399 CD LYS A 28 -2.432 -10.536 10.166 1.00 0.00 C ATOM 400 CE LYS A 28 -2.765 -9.905 11.523 1.00 0.00 C ATOM 401 NZ LYS A 28 -1.504 -9.479 12.194 1.00 0.00 N ATOM 0 H LYS A 28 -1.746 -9.565 7.059 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.958 -12.253 8.136 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.227 -10.449 7.201 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.286 -11.695 8.433 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -2.726 -9.064 8.608 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.184 -9.458 9.497 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.623 -11.609 10.197 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.372 -10.407 9.946 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.424 -9.048 11.386 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.299 -10.621 12.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.728 -9.051 13.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.890 -10.306 12.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.012 -8.782 11.599 1.00 0.00 H new ATOM 415 N TYR A 29 -2.694 -11.695 4.994 1.00 0.00 N ATOM 416 CA TYR A 29 -3.035 -12.382 3.714 1.00 0.00 C ATOM 417 C TYR A 29 -1.774 -13.019 3.126 1.00 0.00 C ATOM 418 O TYR A 29 -0.758 -12.368 2.964 1.00 0.00 O ATOM 419 CB TYR A 29 -3.608 -11.364 2.724 1.00 0.00 C ATOM 420 CG TYR A 29 -4.895 -10.802 3.278 1.00 0.00 C ATOM 421 CD1 TYR A 29 -6.080 -11.540 3.178 1.00 0.00 C ATOM 422 CD2 TYR A 29 -4.903 -9.545 3.896 1.00 0.00 C ATOM 423 CE1 TYR A 29 -7.273 -11.022 3.695 1.00 0.00 C ATOM 424 CE2 TYR A 29 -6.097 -9.028 4.415 1.00 0.00 C ATOM 425 CZ TYR A 29 -7.282 -9.767 4.314 1.00 0.00 C ATOM 426 OH TYR A 29 -8.458 -9.258 4.824 1.00 0.00 O ATOM 0 H TYR A 29 -2.421 -10.717 4.899 1.00 0.00 H new ATOM 0 HA TYR A 29 -3.777 -13.158 3.903 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -2.891 -10.561 2.553 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -3.790 -11.839 1.760 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.074 -12.509 2.702 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -3.989 -8.975 3.972 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.187 -11.591 3.616 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -6.104 -8.060 4.893 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.258 -8.507 5.421 1.00 0.00 H new ATOM 436 N ASP A 30 -1.835 -14.287 2.811 1.00 0.00 N ATOM 437 CA ASP A 30 -0.645 -14.981 2.235 1.00 0.00 C ATOM 438 C ASP A 30 -0.503 -14.663 0.739 1.00 0.00 C ATOM 439 O ASP A 30 0.440 -15.094 0.101 1.00 0.00 O ATOM 440 CB ASP A 30 -0.808 -16.493 2.413 1.00 0.00 C ATOM 441 CG ASP A 30 -0.733 -16.842 3.901 1.00 0.00 C ATOM 442 OD1 ASP A 30 -1.236 -16.066 4.698 1.00 0.00 O ATOM 443 OD2 ASP A 30 -0.173 -17.878 4.218 1.00 0.00 O ATOM 0 H ASP A 30 -2.661 -14.874 2.928 1.00 0.00 H new ATOM 0 HA ASP A 30 0.248 -14.633 2.755 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.763 -16.818 2.000 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.028 -17.021 1.865 1.00 0.00 H new ATOM 448 N ALA A 31 -1.424 -13.917 0.169 1.00 0.00 N ATOM 449 CA ALA A 31 -1.326 -13.583 -1.283 1.00 0.00 C ATOM 450 C ALA A 31 -0.052 -12.777 -1.542 1.00 0.00 C ATOM 451 O ALA A 31 0.592 -12.305 -0.624 1.00 0.00 O ATOM 452 CB ALA A 31 -2.545 -12.757 -1.698 1.00 0.00 C ATOM 0 H ALA A 31 -2.236 -13.528 0.649 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.294 -14.505 -1.864 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.475 -12.512 -2.758 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.453 -13.332 -1.518 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.577 -11.837 -1.115 1.00 0.00 H new ATOM 458 N ASP A 32 0.313 -12.618 -2.789 1.00 0.00 N ATOM 459 CA ASP A 32 1.543 -11.843 -3.123 1.00 0.00 C ATOM 460 C ASP A 32 1.157 -10.405 -3.474 1.00 0.00 C ATOM 461 O ASP A 32 1.033 -10.051 -4.631 1.00 0.00 O ATOM 462 CB ASP A 32 2.244 -12.491 -4.318 1.00 0.00 C ATOM 463 CG ASP A 32 2.772 -13.869 -3.917 1.00 0.00 C ATOM 464 OD1 ASP A 32 1.972 -14.685 -3.488 1.00 0.00 O ATOM 465 OD2 ASP A 32 3.965 -14.085 -4.047 1.00 0.00 O ATOM 0 H ASP A 32 -0.191 -12.994 -3.592 1.00 0.00 H new ATOM 0 HA ASP A 32 2.217 -11.840 -2.266 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.549 -12.585 -5.153 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.066 -11.860 -4.657 1.00 0.00 H new ATOM 470 N VAL A 33 0.965 -9.577 -2.480 1.00 0.00 N ATOM 471 CA VAL A 33 0.585 -8.157 -2.740 1.00 0.00 C ATOM 472 C VAL A 33 1.852 -7.309 -2.872 1.00 0.00 C ATOM 473 O VAL A 33 2.472 -6.941 -1.891 1.00 0.00 O ATOM 474 CB VAL A 33 -0.269 -7.635 -1.577 1.00 0.00 C ATOM 475 CG1 VAL A 33 -1.616 -8.368 -1.560 1.00 0.00 C ATOM 476 CG2 VAL A 33 0.466 -7.870 -0.247 1.00 0.00 C ATOM 0 H VAL A 33 1.056 -9.825 -1.495 1.00 0.00 H new ATOM 0 HA VAL A 33 0.010 -8.095 -3.664 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.441 -6.567 -1.707 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.222 -7.997 -0.734 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.138 -8.192 -2.501 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.447 -9.437 -1.434 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.144 -7.498 0.576 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.644 -8.937 -0.113 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.419 -7.342 -0.260 1.00 0.00 H new ATOM 486 N ASN A 34 2.242 -7.003 -4.084 1.00 0.00 N ATOM 487 CA ASN A 34 3.473 -6.184 -4.297 1.00 0.00 C ATOM 488 C ASN A 34 3.088 -4.755 -4.681 1.00 0.00 C ATOM 489 O ASN A 34 2.306 -4.535 -5.587 1.00 0.00 O ATOM 490 CB ASN A 34 4.305 -6.805 -5.421 1.00 0.00 C ATOM 491 CG ASN A 34 4.622 -8.262 -5.078 1.00 0.00 C ATOM 492 OD1 ASN A 34 5.603 -8.543 -4.418 1.00 0.00 O ATOM 493 ND2 ASN A 34 3.828 -9.207 -5.501 1.00 0.00 N ATOM 0 H ASN A 34 1.759 -7.286 -4.937 1.00 0.00 H new ATOM 0 HA ASN A 34 4.055 -6.163 -3.375 1.00 0.00 H new ATOM 0 HB2 ASN A 34 3.759 -6.753 -6.363 1.00 0.00 H new ATOM 0 HB3 ASN A 34 5.229 -6.243 -5.557 1.00 0.00 H new ATOM 0 HD21 ASN A 34 4.031 -10.181 -5.278 1.00 0.00 H new ATOM 0 HD22 ASN A 34 3.005 -8.971 -6.055 1.00 0.00 H new ATOM 500 N LEU A 35 3.642 -3.784 -4.001 1.00 0.00 N ATOM 501 CA LEU A 35 3.326 -2.361 -4.319 1.00 0.00 C ATOM 502 C LEU A 35 4.311 -1.857 -5.378 1.00 0.00 C ATOM 503 O LEU A 35 5.476 -2.212 -5.372 1.00 0.00 O ATOM 504 CB LEU A 35 3.462 -1.516 -3.048 1.00 0.00 C ATOM 505 CG LEU A 35 3.036 -0.076 -3.338 1.00 0.00 C ATOM 506 CD1 LEU A 35 2.394 0.528 -2.088 1.00 0.00 C ATOM 507 CD2 LEU A 35 4.266 0.748 -3.726 1.00 0.00 C ATOM 0 H LEU A 35 4.303 -3.918 -3.236 1.00 0.00 H new ATOM 0 HA LEU A 35 2.307 -2.282 -4.698 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.845 -1.935 -2.253 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.493 -1.536 -2.695 1.00 0.00 H new ATOM 0 HG LEU A 35 2.316 -0.067 -4.157 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.090 1.554 -2.295 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.520 -0.060 -1.808 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.114 0.520 -1.269 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.965 1.775 -3.933 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.984 0.739 -2.906 1.00 0.00 H new ATOM 0 HD23 LEU A 35 4.726 0.318 -4.616 1.00 0.00 H new ATOM 519 N GLU A 36 3.851 -1.037 -6.291 1.00 0.00 N ATOM 520 CA GLU A 36 4.755 -0.513 -7.358 1.00 0.00 C ATOM 521 C GLU A 36 4.870 1.007 -7.234 1.00 0.00 C ATOM 522 O GLU A 36 3.912 1.684 -6.911 1.00 0.00 O ATOM 523 CB GLU A 36 4.180 -0.870 -8.730 1.00 0.00 C ATOM 524 CG GLU A 36 5.281 -0.773 -9.787 1.00 0.00 C ATOM 525 CD GLU A 36 4.730 -1.222 -11.142 1.00 0.00 C ATOM 526 OE1 GLU A 36 3.678 -0.735 -11.522 1.00 0.00 O ATOM 527 OE2 GLU A 36 5.370 -2.045 -11.776 1.00 0.00 O ATOM 0 H GLU A 36 2.887 -0.708 -6.342 1.00 0.00 H new ATOM 0 HA GLU A 36 5.743 -0.960 -7.248 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.767 -1.879 -8.712 1.00 0.00 H new ATOM 0 HB3 GLU A 36 3.361 -0.195 -8.980 1.00 0.00 H new ATOM 0 HG2 GLU A 36 5.647 0.252 -9.853 1.00 0.00 H new ATOM 0 HG3 GLU A 36 6.129 -1.397 -9.503 1.00 0.00 H new ATOM 534 N TYR A 37 6.037 1.547 -7.490 1.00 0.00 N ATOM 535 CA TYR A 37 6.217 3.025 -7.389 1.00 0.00 C ATOM 536 C TYR A 37 7.100 3.520 -8.541 1.00 0.00 C ATOM 537 O TYR A 37 8.234 3.918 -8.345 1.00 0.00 O ATOM 538 CB TYR A 37 6.866 3.374 -6.042 1.00 0.00 C ATOM 539 CG TYR A 37 6.988 4.880 -5.885 1.00 0.00 C ATOM 540 CD1 TYR A 37 5.926 5.724 -6.251 1.00 0.00 C ATOM 541 CD2 TYR A 37 8.167 5.430 -5.368 1.00 0.00 C ATOM 542 CE1 TYR A 37 6.047 7.110 -6.098 1.00 0.00 C ATOM 543 CE2 TYR A 37 8.288 6.817 -5.216 1.00 0.00 C ATOM 544 CZ TYR A 37 7.228 7.657 -5.581 1.00 0.00 C ATOM 545 OH TYR A 37 7.349 9.023 -5.432 1.00 0.00 O ATOM 0 H TYR A 37 6.870 1.027 -7.764 1.00 0.00 H new ATOM 0 HA TYR A 37 5.244 3.513 -7.454 1.00 0.00 H new ATOM 0 HB2 TYR A 37 6.269 2.965 -5.227 1.00 0.00 H new ATOM 0 HB3 TYR A 37 7.852 2.914 -5.977 1.00 0.00 H new ATOM 0 HD1 TYR A 37 5.015 5.303 -6.651 1.00 0.00 H new ATOM 0 HD2 TYR A 37 8.985 4.784 -5.086 1.00 0.00 H new ATOM 0 HE1 TYR A 37 5.230 7.758 -6.379 1.00 0.00 H new ATOM 0 HE2 TYR A 37 9.199 7.239 -4.817 1.00 0.00 H new ATOM 0 HH TYR A 37 8.230 9.235 -5.059 1.00 0.00 H new ATOM 555 N ASN A 38 6.575 3.512 -9.738 1.00 0.00 N ATOM 556 CA ASN A 38 7.354 3.993 -10.923 1.00 0.00 C ATOM 557 C ASN A 38 8.686 3.236 -11.046 1.00 0.00 C ATOM 558 O ASN A 38 9.753 3.821 -10.974 1.00 0.00 O ATOM 559 CB ASN A 38 7.624 5.493 -10.770 1.00 0.00 C ATOM 560 CG ASN A 38 7.628 6.152 -12.150 1.00 0.00 C ATOM 561 OD1 ASN A 38 6.598 6.273 -12.783 1.00 0.00 O ATOM 562 ND2 ASN A 38 8.754 6.588 -12.647 1.00 0.00 N ATOM 0 H ASN A 38 5.631 3.190 -9.950 1.00 0.00 H new ATOM 0 HA ASN A 38 6.772 3.809 -11.826 1.00 0.00 H new ATOM 0 HB2 ASN A 38 6.860 5.949 -10.140 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.582 5.653 -10.276 1.00 0.00 H new ATOM 0 HD21 ASN A 38 8.769 7.030 -13.566 1.00 0.00 H new ATOM 0 HD22 ASN A 38 9.619 6.487 -12.116 1.00 0.00 H new ATOM 569 N GLY A 39 8.632 1.942 -11.250 1.00 0.00 N ATOM 570 CA GLY A 39 9.887 1.149 -11.402 1.00 0.00 C ATOM 571 C GLY A 39 10.312 0.548 -10.059 1.00 0.00 C ATOM 572 O GLY A 39 10.929 -0.501 -10.015 1.00 0.00 O ATOM 0 H GLY A 39 7.769 1.402 -11.318 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.734 0.353 -12.131 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.682 1.787 -11.789 1.00 0.00 H new ATOM 576 N LYS A 40 9.996 1.199 -8.968 1.00 0.00 N ATOM 577 CA LYS A 40 10.391 0.662 -7.633 1.00 0.00 C ATOM 578 C LYS A 40 9.288 -0.258 -7.109 1.00 0.00 C ATOM 579 O LYS A 40 8.394 0.171 -6.404 1.00 0.00 O ATOM 580 CB LYS A 40 10.596 1.823 -6.658 1.00 0.00 C ATOM 581 CG LYS A 40 11.721 2.726 -7.168 1.00 0.00 C ATOM 582 CD LYS A 40 13.065 2.216 -6.644 1.00 0.00 C ATOM 583 CE LYS A 40 14.201 2.864 -7.436 1.00 0.00 C ATOM 584 NZ LYS A 40 14.253 4.321 -7.127 1.00 0.00 N ATOM 0 H LYS A 40 9.481 2.079 -8.945 1.00 0.00 H new ATOM 0 HA LYS A 40 11.319 0.099 -7.726 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.673 2.395 -6.558 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.843 1.441 -5.668 1.00 0.00 H new ATOM 0 HG2 LYS A 40 11.725 2.739 -8.258 1.00 0.00 H new ATOM 0 HG3 LYS A 40 11.556 3.752 -6.838 1.00 0.00 H new ATOM 0 HD2 LYS A 40 13.167 2.450 -5.584 1.00 0.00 H new ATOM 0 HD3 LYS A 40 13.115 1.131 -6.737 1.00 0.00 H new ATOM 0 HE2 LYS A 40 15.151 2.393 -7.182 1.00 0.00 H new ATOM 0 HE3 LYS A 40 14.046 2.713 -8.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 15.104 4.737 -7.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 13.407 4.788 -7.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 14.284 4.456 -6.096 1.00 0.00 H new ATOM 598 N THR A 41 9.348 -1.520 -7.452 1.00 0.00 N ATOM 599 CA THR A 41 8.306 -2.478 -6.981 1.00 0.00 C ATOM 600 C THR A 41 8.766 -3.147 -5.686 1.00 0.00 C ATOM 601 O THR A 41 9.462 -4.145 -5.707 1.00 0.00 O ATOM 602 CB THR A 41 8.069 -3.548 -8.050 1.00 0.00 C ATOM 603 OG1 THR A 41 7.776 -2.921 -9.290 1.00 0.00 O ATOM 604 CG2 THR A 41 6.893 -4.437 -7.635 1.00 0.00 C ATOM 0 H THR A 41 10.076 -1.927 -8.039 1.00 0.00 H new ATOM 0 HA THR A 41 7.379 -1.935 -6.798 1.00 0.00 H new ATOM 0 HB THR A 41 8.965 -4.160 -8.155 1.00 0.00 H new ATOM 0 HG1 THR A 41 7.626 -3.605 -9.975 1.00 0.00 H new ATOM 0 HG21 THR A 41 6.726 -5.198 -8.397 1.00 0.00 H new ATOM 0 HG22 THR A 41 7.119 -4.919 -6.684 1.00 0.00 H new ATOM 0 HG23 THR A 41 5.996 -3.827 -7.528 1.00 0.00 H new ATOM 612 N VAL A 42 8.365 -2.613 -4.562 1.00 0.00 N ATOM 613 CA VAL A 42 8.760 -3.224 -3.254 1.00 0.00 C ATOM 614 C VAL A 42 7.584 -4.019 -2.703 1.00 0.00 C ATOM 615 O VAL A 42 6.439 -3.642 -2.865 1.00 0.00 O ATOM 616 CB VAL A 42 9.158 -2.160 -2.209 1.00 0.00 C ATOM 617 CG1 VAL A 42 10.657 -1.872 -2.310 1.00 0.00 C ATOM 618 CG2 VAL A 42 8.366 -0.859 -2.411 1.00 0.00 C ATOM 0 H VAL A 42 7.781 -1.780 -4.491 1.00 0.00 H new ATOM 0 HA VAL A 42 9.624 -3.863 -3.437 1.00 0.00 H new ATOM 0 HB VAL A 42 8.924 -2.551 -1.219 1.00 0.00 H new ATOM 0 HG11 VAL A 42 10.934 -1.120 -1.571 1.00 0.00 H new ATOM 0 HG12 VAL A 42 11.217 -2.788 -2.123 1.00 0.00 H new ATOM 0 HG13 VAL A 42 10.890 -1.502 -3.308 1.00 0.00 H new ATOM 0 HG21 VAL A 42 8.668 -0.129 -1.660 1.00 0.00 H new ATOM 0 HG22 VAL A 42 8.567 -0.461 -3.406 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.300 -1.063 -2.311 1.00 0.00 H new ATOM 628 N ASN A 43 7.862 -5.103 -2.032 1.00 0.00 N ATOM 629 CA ASN A 43 6.767 -5.918 -1.442 1.00 0.00 C ATOM 630 C ASN A 43 6.163 -5.127 -0.286 1.00 0.00 C ATOM 631 O ASN A 43 6.861 -4.394 0.391 1.00 0.00 O ATOM 632 CB ASN A 43 7.338 -7.236 -0.916 1.00 0.00 C ATOM 633 CG ASN A 43 6.233 -8.293 -0.862 1.00 0.00 C ATOM 634 OD1 ASN A 43 5.065 -7.965 -0.786 1.00 0.00 O ATOM 635 ND2 ASN A 43 6.555 -9.557 -0.898 1.00 0.00 N ATOM 0 H ASN A 43 8.804 -5.459 -1.867 1.00 0.00 H new ATOM 0 HA ASN A 43 6.007 -6.136 -2.192 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.148 -7.576 -1.562 1.00 0.00 H new ATOM 0 HB3 ASN A 43 7.762 -7.089 0.077 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.827 -10.270 -0.862 1.00 0.00 H new ATOM 0 HD22 ASN A 43 7.535 -9.832 -0.962 1.00 0.00 H new ATOM 642 N LEU A 44 4.882 -5.259 -0.049 1.00 0.00 N ATOM 643 CA LEU A 44 4.265 -4.497 1.073 1.00 0.00 C ATOM 644 C LEU A 44 4.820 -4.983 2.415 1.00 0.00 C ATOM 645 O LEU A 44 4.638 -4.339 3.432 1.00 0.00 O ATOM 646 CB LEU A 44 2.754 -4.652 1.066 1.00 0.00 C ATOM 647 CG LEU A 44 2.162 -3.593 1.996 1.00 0.00 C ATOM 648 CD1 LEU A 44 1.949 -2.295 1.224 1.00 0.00 C ATOM 649 CD2 LEU A 44 0.846 -4.103 2.568 1.00 0.00 C ATOM 0 H LEU A 44 4.245 -5.855 -0.578 1.00 0.00 H new ATOM 0 HA LEU A 44 4.512 -3.444 0.939 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.364 -4.531 0.055 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.473 -5.651 1.399 1.00 0.00 H new ATOM 0 HG LEU A 44 2.849 -3.396 2.819 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.527 -1.541 1.889 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.904 -1.942 0.835 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.263 -2.473 0.395 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.422 -3.350 3.232 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.149 -4.304 1.754 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.024 -5.021 3.128 1.00 0.00 H new ATOM 661 N LYS A 45 5.520 -6.091 2.439 1.00 0.00 N ATOM 662 CA LYS A 45 6.107 -6.568 3.721 1.00 0.00 C ATOM 663 C LYS A 45 7.490 -5.925 3.878 1.00 0.00 C ATOM 664 O LYS A 45 8.467 -6.594 4.163 1.00 0.00 O ATOM 665 CB LYS A 45 6.240 -8.095 3.692 1.00 0.00 C ATOM 666 CG LYS A 45 4.856 -8.738 3.500 1.00 0.00 C ATOM 667 CD LYS A 45 4.787 -9.427 2.134 1.00 0.00 C ATOM 668 CE LYS A 45 3.325 -9.665 1.755 1.00 0.00 C ATOM 669 NZ LYS A 45 3.215 -10.919 0.958 1.00 0.00 N ATOM 0 H LYS A 45 5.707 -6.681 1.628 1.00 0.00 H new ATOM 0 HA LYS A 45 5.467 -6.292 4.559 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.905 -8.395 2.883 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.689 -8.447 4.621 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.669 -9.463 4.292 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.079 -7.978 3.573 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.273 -8.810 1.379 1.00 0.00 H new ATOM 0 HD3 LYS A 45 5.324 -10.375 2.166 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.713 -9.738 2.654 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.946 -8.821 1.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 2.220 -11.081 0.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.787 -10.832 0.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 3.561 -11.721 1.523 1.00 0.00 H new ATOM 683 N SER A 46 7.580 -4.626 3.684 1.00 0.00 N ATOM 684 CA SER A 46 8.897 -3.938 3.813 1.00 0.00 C ATOM 685 C SER A 46 8.671 -2.502 4.283 1.00 0.00 C ATOM 686 O SER A 46 8.341 -1.628 3.506 1.00 0.00 O ATOM 687 CB SER A 46 9.614 -3.933 2.456 1.00 0.00 C ATOM 688 OG SER A 46 10.847 -3.237 2.581 1.00 0.00 O ATOM 0 H SER A 46 6.796 -4.019 3.443 1.00 0.00 H new ATOM 0 HA SER A 46 9.515 -4.466 4.539 1.00 0.00 H new ATOM 0 HB2 SER A 46 9.792 -4.955 2.122 1.00 0.00 H new ATOM 0 HB3 SER A 46 8.988 -3.455 1.702 1.00 0.00 H new ATOM 0 HG SER A 46 11.443 -3.493 1.847 1.00 0.00 H new ATOM 694 N ILE A 47 8.843 -2.261 5.556 1.00 0.00 N ATOM 695 CA ILE A 47 8.637 -0.888 6.102 1.00 0.00 C ATOM 696 C ILE A 47 9.762 0.028 5.616 1.00 0.00 C ATOM 697 O ILE A 47 9.523 1.025 4.960 1.00 0.00 O ATOM 698 CB ILE A 47 8.656 -0.947 7.633 1.00 0.00 C ATOM 699 CG1 ILE A 47 7.639 -1.993 8.121 1.00 0.00 C ATOM 700 CG2 ILE A 47 8.316 0.433 8.209 1.00 0.00 C ATOM 701 CD1 ILE A 47 6.220 -1.615 7.680 1.00 0.00 C ATOM 0 H ILE A 47 9.119 -2.961 6.245 1.00 0.00 H new ATOM 0 HA ILE A 47 7.678 -0.498 5.760 1.00 0.00 H new ATOM 0 HB ILE A 47 9.651 -1.234 7.973 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.900 -2.974 7.724 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.680 -2.068 9.208 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.331 0.386 9.298 1.00 0.00 H new ATOM 0 HG22 ILE A 47 9.051 1.161 7.867 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.324 0.734 7.872 1.00 0.00 H new ATOM 0 HD11 ILE A 47 5.516 -2.368 8.035 1.00 0.00 H new ATOM 0 HD12 ILE A 47 5.955 -0.644 8.099 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.179 -1.564 6.592 1.00 0.00 H new ATOM 713 N MET A 48 10.985 -0.307 5.937 1.00 0.00 N ATOM 714 CA MET A 48 12.139 0.531 5.506 1.00 0.00 C ATOM 715 C MET A 48 12.199 0.601 3.974 1.00 0.00 C ATOM 716 O MET A 48 12.781 1.511 3.416 1.00 0.00 O ATOM 717 CB MET A 48 13.431 -0.088 6.038 1.00 0.00 C ATOM 718 CG MET A 48 14.560 0.935 5.948 1.00 0.00 C ATOM 719 SD MET A 48 14.310 2.221 7.197 1.00 0.00 S ATOM 720 CE MET A 48 15.669 1.741 8.290 1.00 0.00 C ATOM 0 H MET A 48 11.233 -1.132 6.483 1.00 0.00 H new ATOM 0 HA MET A 48 12.019 1.540 5.901 1.00 0.00 H new ATOM 0 HB2 MET A 48 13.296 -0.406 7.072 1.00 0.00 H new ATOM 0 HB3 MET A 48 13.685 -0.977 5.461 1.00 0.00 H new ATOM 0 HG2 MET A 48 15.522 0.446 6.102 1.00 0.00 H new ATOM 0 HG3 MET A 48 14.584 1.379 4.953 1.00 0.00 H new ATOM 0 HE1 MET A 48 15.702 2.414 9.146 1.00 0.00 H new ATOM 0 HE2 MET A 48 15.513 0.720 8.637 1.00 0.00 H new ATOM 0 HE3 MET A 48 16.612 1.799 7.746 1.00 0.00 H new ATOM 730 N GLY A 49 11.608 -0.352 3.294 1.00 0.00 N ATOM 731 CA GLY A 49 11.636 -0.340 1.801 1.00 0.00 C ATOM 732 C GLY A 49 10.788 0.822 1.277 1.00 0.00 C ATOM 733 O GLY A 49 11.200 1.549 0.393 1.00 0.00 O ATOM 0 H GLY A 49 11.108 -1.137 3.711 1.00 0.00 H new ATOM 0 HA2 GLY A 49 12.663 -0.242 1.448 1.00 0.00 H new ATOM 0 HA3 GLY A 49 11.255 -1.285 1.413 1.00 0.00 H new ATOM 737 N VAL A 50 9.607 0.997 1.814 1.00 0.00 N ATOM 738 CA VAL A 50 8.723 2.108 1.349 1.00 0.00 C ATOM 739 C VAL A 50 9.324 3.453 1.768 1.00 0.00 C ATOM 740 O VAL A 50 9.207 4.438 1.064 1.00 0.00 O ATOM 741 CB VAL A 50 7.337 1.952 1.976 1.00 0.00 C ATOM 742 CG1 VAL A 50 6.388 3.003 1.394 1.00 0.00 C ATOM 743 CG2 VAL A 50 6.794 0.554 1.669 1.00 0.00 C ATOM 0 H VAL A 50 9.216 0.417 2.556 1.00 0.00 H new ATOM 0 HA VAL A 50 8.638 2.073 0.263 1.00 0.00 H new ATOM 0 HB VAL A 50 7.411 2.088 3.055 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.401 2.890 1.842 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.773 4.000 1.610 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.314 2.869 0.315 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.806 0.441 2.115 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.722 0.421 0.590 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.467 -0.197 2.083 1.00 0.00 H new ATOM 753 N VAL A 51 9.964 3.497 2.909 1.00 0.00 N ATOM 754 CA VAL A 51 10.575 4.775 3.383 1.00 0.00 C ATOM 755 C VAL A 51 11.807 5.106 2.534 1.00 0.00 C ATOM 756 O VAL A 51 12.180 6.256 2.395 1.00 0.00 O ATOM 757 CB VAL A 51 10.989 4.628 4.850 1.00 0.00 C ATOM 758 CG1 VAL A 51 11.483 5.976 5.380 1.00 0.00 C ATOM 759 CG2 VAL A 51 9.785 4.170 5.675 1.00 0.00 C ATOM 0 H VAL A 51 10.090 2.701 3.534 1.00 0.00 H new ATOM 0 HA VAL A 51 9.847 5.580 3.288 1.00 0.00 H new ATOM 0 HB VAL A 51 11.788 3.891 4.929 1.00 0.00 H new ATOM 0 HG11 VAL A 51 11.777 5.871 6.424 1.00 0.00 H new ATOM 0 HG12 VAL A 51 12.340 6.306 4.793 1.00 0.00 H new ATOM 0 HG13 VAL A 51 10.684 6.713 5.301 1.00 0.00 H new ATOM 0 HG21 VAL A 51 10.078 4.065 6.720 1.00 0.00 H new ATOM 0 HG22 VAL A 51 8.987 4.908 5.595 1.00 0.00 H new ATOM 0 HG23 VAL A 51 9.431 3.210 5.299 1.00 0.00 H new ATOM 769 N SER A 52 12.443 4.109 1.970 1.00 0.00 N ATOM 770 CA SER A 52 13.653 4.362 1.134 1.00 0.00 C ATOM 771 C SER A 52 13.238 5.047 -0.170 1.00 0.00 C ATOM 772 O SER A 52 13.961 5.867 -0.705 1.00 0.00 O ATOM 773 CB SER A 52 14.339 3.034 0.815 1.00 0.00 C ATOM 774 OG SER A 52 13.530 2.290 -0.087 1.00 0.00 O ATOM 0 H SER A 52 12.174 3.129 2.054 1.00 0.00 H new ATOM 0 HA SER A 52 14.343 5.006 1.680 1.00 0.00 H new ATOM 0 HB2 SER A 52 15.320 3.215 0.376 1.00 0.00 H new ATOM 0 HB3 SER A 52 14.499 2.465 1.731 1.00 0.00 H new ATOM 0 HG SER A 52 12.657 2.116 0.323 1.00 0.00 H new ATOM 780 N LEU A 53 12.080 4.716 -0.682 1.00 0.00 N ATOM 781 CA LEU A 53 11.610 5.345 -1.952 1.00 0.00 C ATOM 782 C LEU A 53 11.410 6.844 -1.729 1.00 0.00 C ATOM 783 O LEU A 53 11.690 7.652 -2.595 1.00 0.00 O ATOM 784 CB LEU A 53 10.284 4.709 -2.377 1.00 0.00 C ATOM 785 CG LEU A 53 10.468 3.199 -2.540 1.00 0.00 C ATOM 786 CD1 LEU A 53 9.114 2.548 -2.821 1.00 0.00 C ATOM 787 CD2 LEU A 53 11.417 2.923 -3.709 1.00 0.00 C ATOM 0 H LEU A 53 11.439 4.036 -0.274 1.00 0.00 H new ATOM 0 HA LEU A 53 12.353 5.188 -2.734 1.00 0.00 H new ATOM 0 HB2 LEU A 53 9.516 4.914 -1.632 1.00 0.00 H new ATOM 0 HB3 LEU A 53 9.943 5.147 -3.315 1.00 0.00 H new ATOM 0 HG LEU A 53 10.889 2.784 -1.624 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.245 1.472 -2.937 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.437 2.744 -1.990 1.00 0.00 H new ATOM 0 HD13 LEU A 53 8.694 2.963 -3.737 1.00 0.00 H new ATOM 0 HD21 LEU A 53 11.548 1.847 -3.825 1.00 0.00 H new ATOM 0 HD22 LEU A 53 10.996 3.338 -4.625 1.00 0.00 H new ATOM 0 HD23 LEU A 53 12.383 3.387 -3.511 1.00 0.00 H new ATOM 799 N GLY A 54 10.927 7.221 -0.572 1.00 0.00 N ATOM 800 CA GLY A 54 10.705 8.666 -0.280 1.00 0.00 C ATOM 801 C GLY A 54 9.409 9.133 -0.944 1.00 0.00 C ATOM 802 O GLY A 54 9.387 10.121 -1.653 1.00 0.00 O ATOM 0 H GLY A 54 10.676 6.585 0.185 1.00 0.00 H new ATOM 0 HA2 GLY A 54 10.651 8.825 0.797 1.00 0.00 H new ATOM 0 HA3 GLY A 54 11.546 9.254 -0.647 1.00 0.00 H new ATOM 806 N ILE A 55 8.328 8.429 -0.717 1.00 0.00 N ATOM 807 CA ILE A 55 7.027 8.829 -1.330 1.00 0.00 C ATOM 808 C ILE A 55 6.435 9.991 -0.533 1.00 0.00 C ATOM 809 O ILE A 55 6.697 10.139 0.647 1.00 0.00 O ATOM 810 CB ILE A 55 6.054 7.645 -1.312 1.00 0.00 C ATOM 811 CG1 ILE A 55 6.738 6.403 -1.893 1.00 0.00 C ATOM 812 CG2 ILE A 55 4.823 7.982 -2.156 1.00 0.00 C ATOM 813 CD1 ILE A 55 5.874 5.170 -1.620 1.00 0.00 C ATOM 0 H ILE A 55 8.292 7.594 -0.133 1.00 0.00 H new ATOM 0 HA ILE A 55 7.192 9.136 -2.363 1.00 0.00 H new ATOM 0 HB ILE A 55 5.752 7.446 -0.284 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.887 6.525 -2.966 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.724 6.275 -1.446 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.131 7.140 -2.143 1.00 0.00 H new ATOM 0 HG22 ILE A 55 4.330 8.863 -1.745 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.130 8.184 -3.182 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.360 4.286 -2.033 1.00 0.00 H new ATOM 0 HD12 ILE A 55 5.748 5.045 -0.545 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.898 5.299 -2.088 1.00 0.00 H new ATOM 825 N ALA A 56 5.648 10.821 -1.169 1.00 0.00 N ATOM 826 CA ALA A 56 5.047 11.982 -0.453 1.00 0.00 C ATOM 827 C ALA A 56 3.705 12.347 -1.092 1.00 0.00 C ATOM 828 O ALA A 56 3.171 11.610 -1.900 1.00 0.00 O ATOM 829 CB ALA A 56 6.004 13.173 -0.543 1.00 0.00 C ATOM 0 H ALA A 56 5.397 10.743 -2.154 1.00 0.00 H new ATOM 0 HA ALA A 56 4.881 11.722 0.593 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.572 14.027 -0.022 1.00 0.00 H new ATOM 0 HB2 ALA A 56 6.956 12.910 -0.082 1.00 0.00 H new ATOM 0 HB3 ALA A 56 6.166 13.431 -1.590 1.00 0.00 H new ATOM 835 N LYS A 57 3.160 13.481 -0.731 1.00 0.00 N ATOM 836 CA LYS A 57 1.852 13.909 -1.306 1.00 0.00 C ATOM 837 C LYS A 57 1.990 14.097 -2.818 1.00 0.00 C ATOM 838 O LYS A 57 2.911 14.737 -3.291 1.00 0.00 O ATOM 839 CB LYS A 57 1.425 15.228 -0.668 1.00 0.00 C ATOM 840 CG LYS A 57 -0.100 15.335 -0.681 1.00 0.00 C ATOM 841 CD LYS A 57 -0.520 16.720 -0.181 1.00 0.00 C ATOM 842 CE LYS A 57 -0.049 17.786 -1.171 1.00 0.00 C ATOM 843 NZ LYS A 57 -0.937 18.980 -1.075 1.00 0.00 N ATOM 0 H LYS A 57 3.568 14.131 -0.059 1.00 0.00 H new ATOM 0 HA LYS A 57 1.102 13.145 -1.104 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.795 15.285 0.356 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.863 16.065 -1.212 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.478 15.171 -1.690 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.535 14.561 -0.048 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.603 16.765 -0.070 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.091 16.908 0.803 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.982 18.068 -0.956 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -0.065 17.388 -2.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.617 19.705 -1.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -1.914 18.705 -1.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.900 19.364 -0.109 1.00 0.00 H new ATOM 857 N GLY A 58 1.078 13.545 -3.577 1.00 0.00 N ATOM 858 CA GLY A 58 1.145 13.685 -5.061 1.00 0.00 C ATOM 859 C GLY A 58 1.961 12.533 -5.647 1.00 0.00 C ATOM 860 O GLY A 58 2.930 12.744 -6.354 1.00 0.00 O ATOM 0 H GLY A 58 0.287 13.002 -3.230 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.140 13.684 -5.483 1.00 0.00 H new ATOM 0 HA3 GLY A 58 1.601 14.639 -5.326 1.00 0.00 H new ATOM 864 N ALA A 59 1.576 11.317 -5.359 1.00 0.00 N ATOM 865 CA ALA A 59 2.322 10.142 -5.895 1.00 0.00 C ATOM 866 C ALA A 59 1.329 9.061 -6.326 1.00 0.00 C ATOM 867 O ALA A 59 0.140 9.172 -6.093 1.00 0.00 O ATOM 868 CB ALA A 59 3.244 9.584 -4.809 1.00 0.00 C ATOM 0 H ALA A 59 0.773 11.087 -4.773 1.00 0.00 H new ATOM 0 HA ALA A 59 2.918 10.451 -6.754 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.789 8.725 -5.201 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.952 10.354 -4.502 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.649 9.275 -3.950 1.00 0.00 H new ATOM 874 N GLU A 60 1.812 8.017 -6.951 1.00 0.00 N ATOM 875 CA GLU A 60 0.905 6.922 -7.400 1.00 0.00 C ATOM 876 C GLU A 60 1.492 5.573 -6.976 1.00 0.00 C ATOM 877 O GLU A 60 2.684 5.444 -6.770 1.00 0.00 O ATOM 878 CB GLU A 60 0.769 6.964 -8.924 1.00 0.00 C ATOM 879 CG GLU A 60 0.198 8.320 -9.346 1.00 0.00 C ATOM 880 CD GLU A 60 0.002 8.343 -10.862 1.00 0.00 C ATOM 881 OE1 GLU A 60 0.968 8.101 -11.568 1.00 0.00 O ATOM 882 OE2 GLU A 60 -1.110 8.602 -11.293 1.00 0.00 O ATOM 0 H GLU A 60 2.799 7.877 -7.169 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.077 7.052 -6.946 1.00 0.00 H new ATOM 0 HB2 GLU A 60 1.741 6.805 -9.391 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.116 6.160 -9.264 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.753 8.498 -8.843 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.873 9.121 -9.044 1.00 0.00 H new ATOM 889 N ILE A 61 0.661 4.571 -6.845 1.00 0.00 N ATOM 890 CA ILE A 61 1.162 3.226 -6.434 1.00 0.00 C ATOM 891 C ILE A 61 0.276 2.141 -7.050 1.00 0.00 C ATOM 892 O ILE A 61 -0.932 2.270 -7.099 1.00 0.00 O ATOM 893 CB ILE A 61 1.124 3.117 -4.907 1.00 0.00 C ATOM 894 CG1 ILE A 61 -0.291 3.435 -4.409 1.00 0.00 C ATOM 895 CG2 ILE A 61 2.119 4.114 -4.303 1.00 0.00 C ATOM 896 CD1 ILE A 61 -0.360 3.245 -2.891 1.00 0.00 C ATOM 0 H ILE A 61 -0.345 4.627 -7.005 1.00 0.00 H new ATOM 0 HA ILE A 61 2.186 3.094 -6.782 1.00 0.00 H new ATOM 0 HB ILE A 61 1.395 2.106 -4.604 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.557 4.460 -4.669 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.014 2.784 -4.900 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.095 4.039 -3.216 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.124 3.887 -4.660 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.848 5.126 -4.603 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.367 3.472 -2.541 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.113 2.213 -2.642 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.351 3.915 -2.408 1.00 0.00 H new ATOM 908 N THR A 62 0.871 1.075 -7.525 1.00 0.00 N ATOM 909 CA THR A 62 0.071 -0.023 -8.143 1.00 0.00 C ATOM 910 C THR A 62 0.259 -1.310 -7.337 1.00 0.00 C ATOM 911 O THR A 62 1.313 -1.915 -7.356 1.00 0.00 O ATOM 912 CB THR A 62 0.540 -0.248 -9.582 1.00 0.00 C ATOM 913 OG1 THR A 62 0.809 1.006 -10.192 1.00 0.00 O ATOM 914 CG2 THR A 62 -0.549 -0.977 -10.369 1.00 0.00 C ATOM 0 H THR A 62 1.879 0.919 -7.511 1.00 0.00 H new ATOM 0 HA THR A 62 -0.984 0.253 -8.143 1.00 0.00 H new ATOM 0 HB THR A 62 1.447 -0.853 -9.578 1.00 0.00 H new ATOM 0 HG1 THR A 62 1.111 0.864 -11.113 1.00 0.00 H new ATOM 0 HG21 THR A 62 -0.213 -1.136 -11.394 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.754 -1.940 -9.901 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.458 -0.376 -10.375 1.00 0.00 H new ATOM 922 N ILE A 63 -0.760 -1.730 -6.631 1.00 0.00 N ATOM 923 CA ILE A 63 -0.653 -2.977 -5.818 1.00 0.00 C ATOM 924 C ILE A 63 -1.238 -4.151 -6.608 1.00 0.00 C ATOM 925 O ILE A 63 -2.138 -3.984 -7.410 1.00 0.00 O ATOM 926 CB ILE A 63 -1.427 -2.789 -4.507 1.00 0.00 C ATOM 927 CG1 ILE A 63 -0.827 -1.610 -3.736 1.00 0.00 C ATOM 928 CG2 ILE A 63 -1.329 -4.059 -3.653 1.00 0.00 C ATOM 929 CD1 ILE A 63 -1.673 -1.323 -2.494 1.00 0.00 C ATOM 0 H ILE A 63 -1.664 -1.260 -6.583 1.00 0.00 H new ATOM 0 HA ILE A 63 0.393 -3.186 -5.593 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.475 -2.592 -4.732 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.199 -1.837 -3.445 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.789 -0.727 -4.374 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.881 -3.916 -2.724 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.753 -4.900 -4.202 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.283 -4.264 -3.425 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.244 -0.483 -1.947 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.691 -1.077 -2.796 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.688 -2.204 -1.852 1.00 0.00 H new ATOM 941 N SER A 64 -0.731 -5.337 -6.381 1.00 0.00 N ATOM 942 CA SER A 64 -1.249 -6.531 -7.110 1.00 0.00 C ATOM 943 C SER A 64 -1.093 -7.776 -6.233 1.00 0.00 C ATOM 944 O SER A 64 0.004 -8.245 -5.999 1.00 0.00 O ATOM 945 CB SER A 64 -0.460 -6.717 -8.406 1.00 0.00 C ATOM 946 OG SER A 64 0.913 -6.449 -8.162 1.00 0.00 O ATOM 0 H SER A 64 0.022 -5.528 -5.720 1.00 0.00 H new ATOM 0 HA SER A 64 -2.303 -6.384 -7.344 1.00 0.00 H new ATOM 0 HB2 SER A 64 -0.583 -7.734 -8.778 1.00 0.00 H new ATOM 0 HB3 SER A 64 -0.842 -6.048 -9.177 1.00 0.00 H new ATOM 0 HG SER A 64 1.203 -6.933 -7.361 1.00 0.00 H new ATOM 952 N ALA A 65 -2.186 -8.313 -5.752 1.00 0.00 N ATOM 953 CA ALA A 65 -2.115 -9.533 -4.893 1.00 0.00 C ATOM 954 C ALA A 65 -2.192 -10.777 -5.782 1.00 0.00 C ATOM 955 O ALA A 65 -3.047 -10.879 -6.642 1.00 0.00 O ATOM 956 CB ALA A 65 -3.292 -9.534 -3.914 1.00 0.00 C ATOM 0 H ALA A 65 -3.127 -7.957 -5.918 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.179 -9.537 -4.335 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.242 -10.424 -3.286 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.244 -8.644 -3.287 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.229 -9.535 -4.471 1.00 0.00 H new ATOM 962 N SER A 66 -1.304 -11.721 -5.586 1.00 0.00 N ATOM 963 CA SER A 66 -1.322 -12.957 -6.424 1.00 0.00 C ATOM 964 C SER A 66 -1.018 -14.178 -5.552 1.00 0.00 C ATOM 965 O SER A 66 0.121 -14.439 -5.213 1.00 0.00 O ATOM 966 CB SER A 66 -0.273 -12.847 -7.529 1.00 0.00 C ATOM 967 OG SER A 66 -0.012 -11.476 -7.803 1.00 0.00 O ATOM 0 H SER A 66 -0.568 -11.687 -4.881 1.00 0.00 H new ATOM 0 HA SER A 66 -2.309 -13.069 -6.872 1.00 0.00 H new ATOM 0 HB2 SER A 66 0.645 -13.349 -7.224 1.00 0.00 H new ATOM 0 HB3 SER A 66 -0.626 -13.348 -8.431 1.00 0.00 H new ATOM 0 HG SER A 66 0.662 -11.406 -8.511 1.00 0.00 H new ATOM 973 N GLY A 67 -2.029 -14.924 -5.188 1.00 0.00 N ATOM 974 CA GLY A 67 -1.809 -16.133 -4.339 1.00 0.00 C ATOM 975 C GLY A 67 -3.150 -16.817 -4.066 1.00 0.00 C ATOM 976 O GLY A 67 -3.870 -17.174 -4.980 1.00 0.00 O ATOM 0 H GLY A 67 -3.001 -14.747 -5.443 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.132 -16.824 -4.841 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.336 -15.849 -3.399 1.00 0.00 H new ATOM 980 N ALA A 68 -3.489 -16.999 -2.815 1.00 0.00 N ATOM 981 CA ALA A 68 -4.784 -17.658 -2.471 1.00 0.00 C ATOM 982 C ALA A 68 -5.834 -16.586 -2.174 1.00 0.00 C ATOM 983 O ALA A 68 -6.829 -16.471 -2.865 1.00 0.00 O ATOM 984 CB ALA A 68 -4.594 -18.543 -1.238 1.00 0.00 C ATOM 0 H ALA A 68 -2.922 -16.718 -2.015 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.116 -18.271 -3.309 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.539 -19.024 -0.986 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.844 -19.305 -1.449 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.264 -17.931 -0.398 1.00 0.00 H new ATOM 990 N ASP A 69 -5.614 -15.800 -1.151 1.00 0.00 N ATOM 991 CA ASP A 69 -6.591 -14.726 -0.802 1.00 0.00 C ATOM 992 C ASP A 69 -6.124 -13.400 -1.410 1.00 0.00 C ATOM 993 O ASP A 69 -6.023 -12.392 -0.735 1.00 0.00 O ATOM 994 CB ASP A 69 -6.692 -14.596 0.724 1.00 0.00 C ATOM 995 CG ASP A 69 -5.293 -14.450 1.331 1.00 0.00 C ATOM 996 OD1 ASP A 69 -4.492 -13.728 0.761 1.00 0.00 O ATOM 997 OD2 ASP A 69 -5.048 -15.064 2.356 1.00 0.00 O ATOM 0 H ASP A 69 -4.798 -15.856 -0.541 1.00 0.00 H new ATOM 0 HA ASP A 69 -7.573 -14.980 -1.202 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -7.302 -13.731 0.984 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -7.188 -15.473 1.140 1.00 0.00 H new ATOM 1002 N GLU A 70 -5.834 -13.401 -2.686 1.00 0.00 N ATOM 1003 CA GLU A 70 -5.364 -12.154 -3.360 1.00 0.00 C ATOM 1004 C GLU A 70 -6.500 -11.128 -3.415 1.00 0.00 C ATOM 1005 O GLU A 70 -6.263 -9.935 -3.451 1.00 0.00 O ATOM 1006 CB GLU A 70 -4.904 -12.483 -4.788 1.00 0.00 C ATOM 1007 CG GLU A 70 -5.982 -13.305 -5.515 1.00 0.00 C ATOM 1008 CD GLU A 70 -5.474 -14.729 -5.764 1.00 0.00 C ATOM 1009 OE1 GLU A 70 -4.772 -14.924 -6.742 1.00 0.00 O ATOM 1010 OE2 GLU A 70 -5.798 -15.599 -4.973 1.00 0.00 O ATOM 0 H GLU A 70 -5.903 -14.218 -3.293 1.00 0.00 H new ATOM 0 HA GLU A 70 -4.531 -11.737 -2.794 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -4.707 -11.562 -5.336 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -3.969 -13.042 -4.757 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.893 -13.334 -4.918 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.237 -12.830 -6.462 1.00 0.00 H new ATOM 1017 N ASN A 71 -7.728 -11.580 -3.427 1.00 0.00 N ATOM 1018 CA ASN A 71 -8.880 -10.632 -3.486 1.00 0.00 C ATOM 1019 C ASN A 71 -9.162 -10.075 -2.089 1.00 0.00 C ATOM 1020 O ASN A 71 -9.581 -8.941 -1.937 1.00 0.00 O ATOM 1021 CB ASN A 71 -10.119 -11.368 -4.002 1.00 0.00 C ATOM 1022 CG ASN A 71 -9.822 -11.960 -5.381 1.00 0.00 C ATOM 1023 OD1 ASN A 71 -9.061 -11.400 -6.145 1.00 0.00 O ATOM 1024 ND2 ASN A 71 -10.396 -13.077 -5.735 1.00 0.00 N ATOM 0 H ASN A 71 -7.982 -12.567 -3.398 1.00 0.00 H new ATOM 0 HA ASN A 71 -8.637 -9.810 -4.159 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -10.401 -12.159 -3.307 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -10.964 -10.682 -4.063 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -10.206 -13.480 -6.653 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -11.035 -13.548 -5.094 1.00 0.00 H new ATOM 1031 N ASP A 72 -8.941 -10.865 -1.070 1.00 0.00 N ATOM 1032 CA ASP A 72 -9.200 -10.392 0.323 1.00 0.00 C ATOM 1033 C ASP A 72 -8.067 -9.469 0.789 1.00 0.00 C ATOM 1034 O ASP A 72 -8.243 -8.681 1.700 1.00 0.00 O ATOM 1035 CB ASP A 72 -9.289 -11.598 1.263 1.00 0.00 C ATOM 1036 CG ASP A 72 -10.307 -12.602 0.718 1.00 0.00 C ATOM 1037 OD1 ASP A 72 -11.357 -12.170 0.273 1.00 0.00 O ATOM 1038 OD2 ASP A 72 -10.018 -13.787 0.758 1.00 0.00 O ATOM 0 H ASP A 72 -8.591 -11.820 -1.143 1.00 0.00 H new ATOM 0 HA ASP A 72 -10.139 -9.839 0.340 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.312 -12.071 1.357 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -9.583 -11.273 2.261 1.00 0.00 H new ATOM 1043 N ALA A 73 -6.910 -9.560 0.181 1.00 0.00 N ATOM 1044 CA ALA A 73 -5.775 -8.687 0.601 1.00 0.00 C ATOM 1045 C ALA A 73 -5.909 -7.299 -0.031 1.00 0.00 C ATOM 1046 O ALA A 73 -5.682 -6.296 0.619 1.00 0.00 O ATOM 1047 CB ALA A 73 -4.455 -9.316 0.157 1.00 0.00 C ATOM 0 H ALA A 73 -6.704 -10.200 -0.586 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.792 -8.588 1.686 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -3.626 -8.678 0.464 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -4.347 -10.298 0.618 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -4.449 -9.421 -0.928 1.00 0.00 H new ATOM 1053 N LEU A 74 -6.255 -7.229 -1.294 1.00 0.00 N ATOM 1054 CA LEU A 74 -6.375 -5.898 -1.963 1.00 0.00 C ATOM 1055 C LEU A 74 -7.523 -5.091 -1.347 1.00 0.00 C ATOM 1056 O LEU A 74 -7.389 -3.904 -1.109 1.00 0.00 O ATOM 1057 CB LEU A 74 -6.606 -6.085 -3.471 1.00 0.00 C ATOM 1058 CG LEU A 74 -7.911 -6.842 -3.733 1.00 0.00 C ATOM 1059 CD1 LEU A 74 -9.072 -5.844 -3.873 1.00 0.00 C ATOM 1060 CD2 LEU A 74 -7.772 -7.647 -5.029 1.00 0.00 C ATOM 0 H LEU A 74 -6.458 -8.033 -1.887 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.446 -5.347 -1.814 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -6.640 -5.112 -3.961 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -5.770 -6.632 -3.906 1.00 0.00 H new ATOM 0 HG LEU A 74 -8.115 -7.514 -2.900 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -9.998 -6.387 -4.059 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -9.169 -5.267 -2.953 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -8.873 -5.169 -4.706 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -8.698 -8.189 -5.222 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -7.569 -6.969 -5.858 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -6.950 -8.356 -4.930 1.00 0.00 H new ATOM 1072 N ASN A 75 -8.646 -5.714 -1.090 1.00 0.00 N ATOM 1073 CA ASN A 75 -9.793 -4.965 -0.492 1.00 0.00 C ATOM 1074 C ASN A 75 -9.530 -4.723 0.999 1.00 0.00 C ATOM 1075 O ASN A 75 -10.087 -3.820 1.590 1.00 0.00 O ATOM 1076 CB ASN A 75 -11.103 -5.748 -0.686 1.00 0.00 C ATOM 1077 CG ASN A 75 -11.048 -7.081 0.064 1.00 0.00 C ATOM 1078 OD1 ASN A 75 -9.987 -7.611 0.301 1.00 0.00 O ATOM 1079 ND2 ASN A 75 -12.160 -7.645 0.450 1.00 0.00 N ATOM 0 H ASN A 75 -8.818 -6.704 -1.267 1.00 0.00 H new ATOM 0 HA ASN A 75 -9.892 -4.003 -0.996 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -11.944 -5.156 -0.325 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -11.272 -5.928 -1.748 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -12.134 -8.533 0.952 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -13.055 -7.198 0.250 1.00 0.00 H new ATOM 1086 N ALA A 76 -8.677 -5.514 1.607 1.00 0.00 N ATOM 1087 CA ALA A 76 -8.370 -5.314 3.051 1.00 0.00 C ATOM 1088 C ALA A 76 -7.612 -3.995 3.213 1.00 0.00 C ATOM 1089 O ALA A 76 -8.031 -3.114 3.942 1.00 0.00 O ATOM 1090 CB ALA A 76 -7.507 -6.474 3.556 1.00 0.00 C ATOM 0 H ALA A 76 -8.183 -6.288 1.162 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.294 -5.282 3.629 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -7.283 -6.327 4.613 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.047 -7.412 3.426 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.577 -6.509 2.989 1.00 0.00 H new ATOM 1096 N LEU A 77 -6.500 -3.851 2.535 1.00 0.00 N ATOM 1097 CA LEU A 77 -5.713 -2.589 2.640 1.00 0.00 C ATOM 1098 C LEU A 77 -6.516 -1.430 2.046 1.00 0.00 C ATOM 1099 O LEU A 77 -6.384 -0.297 2.467 1.00 0.00 O ATOM 1100 CB LEU A 77 -4.398 -2.742 1.875 1.00 0.00 C ATOM 1101 CG LEU A 77 -3.666 -4.009 2.349 1.00 0.00 C ATOM 1102 CD1 LEU A 77 -3.376 -4.913 1.152 1.00 0.00 C ATOM 1103 CD2 LEU A 77 -2.347 -3.623 3.024 1.00 0.00 C ATOM 0 H LEU A 77 -6.105 -4.556 1.913 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.502 -2.382 3.689 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.594 -2.803 0.804 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.769 -1.866 2.035 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.297 -4.540 3.062 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.857 -5.810 1.491 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.314 -5.195 0.673 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.750 -4.380 0.437 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.832 -4.524 3.358 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.718 -3.088 2.313 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.551 -2.982 3.882 1.00 0.00 H new ATOM 1115 N GLU A 78 -7.345 -1.703 1.065 1.00 0.00 N ATOM 1116 CA GLU A 78 -8.157 -0.615 0.436 1.00 0.00 C ATOM 1117 C GLU A 78 -9.040 0.060 1.495 1.00 0.00 C ATOM 1118 O GLU A 78 -9.020 1.268 1.648 1.00 0.00 O ATOM 1119 CB GLU A 78 -9.037 -1.213 -0.668 1.00 0.00 C ATOM 1120 CG GLU A 78 -9.822 -0.101 -1.376 1.00 0.00 C ATOM 1121 CD GLU A 78 -11.270 -0.094 -0.881 1.00 0.00 C ATOM 1122 OE1 GLU A 78 -11.484 0.288 0.258 1.00 0.00 O ATOM 1123 OE2 GLU A 78 -12.141 -0.471 -1.649 1.00 0.00 O ATOM 0 H GLU A 78 -7.493 -2.633 0.674 1.00 0.00 H new ATOM 0 HA GLU A 78 -7.489 0.131 0.006 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -8.417 -1.747 -1.389 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -9.727 -1.940 -0.240 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -9.357 0.865 -1.182 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -9.797 -0.256 -2.455 1.00 0.00 H new ATOM 1130 N GLU A 79 -9.815 -0.706 2.223 1.00 0.00 N ATOM 1131 CA GLU A 79 -10.701 -0.112 3.268 1.00 0.00 C ATOM 1132 C GLU A 79 -9.850 0.604 4.319 1.00 0.00 C ATOM 1133 O GLU A 79 -10.284 1.566 4.926 1.00 0.00 O ATOM 1134 CB GLU A 79 -11.526 -1.218 3.931 1.00 0.00 C ATOM 1135 CG GLU A 79 -10.597 -2.306 4.473 1.00 0.00 C ATOM 1136 CD GLU A 79 -11.363 -3.183 5.465 1.00 0.00 C ATOM 1137 OE1 GLU A 79 -11.443 -2.804 6.621 1.00 0.00 O ATOM 1138 OE2 GLU A 79 -11.858 -4.218 5.051 1.00 0.00 O ATOM 0 H GLU A 79 -9.871 -1.721 2.137 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.375 0.608 2.804 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -12.124 -0.801 4.741 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -12.221 -1.647 3.210 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -10.215 -2.914 3.653 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -9.735 -1.853 4.962 1.00 0.00 H new ATOM 1145 N THR A 80 -8.640 0.150 4.532 1.00 0.00 N ATOM 1146 CA THR A 80 -7.757 0.813 5.535 1.00 0.00 C ATOM 1147 C THR A 80 -7.413 2.215 5.031 1.00 0.00 C ATOM 1148 O THR A 80 -7.299 3.153 5.796 1.00 0.00 O ATOM 1149 CB THR A 80 -6.471 0.000 5.705 1.00 0.00 C ATOM 1150 OG1 THR A 80 -6.802 -1.353 5.982 1.00 0.00 O ATOM 1151 CG2 THR A 80 -5.652 0.574 6.862 1.00 0.00 C ATOM 0 H THR A 80 -8.227 -0.651 4.054 1.00 0.00 H new ATOM 0 HA THR A 80 -8.267 0.876 6.496 1.00 0.00 H new ATOM 0 HB THR A 80 -5.884 0.051 4.788 1.00 0.00 H new ATOM 0 HG1 THR A 80 -7.093 -1.794 5.157 1.00 0.00 H new ATOM 0 HG21 THR A 80 -4.737 -0.005 6.982 1.00 0.00 H new ATOM 0 HG22 THR A 80 -5.399 1.612 6.648 1.00 0.00 H new ATOM 0 HG23 THR A 80 -6.236 0.525 7.781 1.00 0.00 H new ATOM 1159 N MET A 81 -7.260 2.357 3.741 1.00 0.00 N ATOM 1160 CA MET A 81 -6.935 3.688 3.154 1.00 0.00 C ATOM 1161 C MET A 81 -8.166 4.595 3.243 1.00 0.00 C ATOM 1162 O MET A 81 -8.054 5.804 3.313 1.00 0.00 O ATOM 1163 CB MET A 81 -6.540 3.505 1.686 1.00 0.00 C ATOM 1164 CG MET A 81 -5.053 3.131 1.589 1.00 0.00 C ATOM 1165 SD MET A 81 -4.083 4.568 1.062 1.00 0.00 S ATOM 1166 CE MET A 81 -4.092 4.209 -0.712 1.00 0.00 C ATOM 0 H MET A 81 -7.347 1.600 3.063 1.00 0.00 H new ATOM 0 HA MET A 81 -6.109 4.142 3.702 1.00 0.00 H new ATOM 0 HB2 MET A 81 -7.151 2.726 1.230 1.00 0.00 H new ATOM 0 HB3 MET A 81 -6.730 4.424 1.132 1.00 0.00 H new ATOM 0 HG2 MET A 81 -4.696 2.776 2.555 1.00 0.00 H new ATOM 0 HG3 MET A 81 -4.921 2.314 0.880 1.00 0.00 H new ATOM 0 HE1 MET A 81 -3.524 4.974 -1.241 1.00 0.00 H new ATOM 0 HE2 MET A 81 -3.639 3.234 -0.888 1.00 0.00 H new ATOM 0 HE3 MET A 81 -5.119 4.203 -1.077 1.00 0.00 H new ATOM 1176 N LYS A 82 -9.342 4.014 3.233 1.00 0.00 N ATOM 1177 CA LYS A 82 -10.591 4.826 3.310 1.00 0.00 C ATOM 1178 C LYS A 82 -10.729 5.439 4.706 1.00 0.00 C ATOM 1179 O LYS A 82 -11.008 6.614 4.851 1.00 0.00 O ATOM 1180 CB LYS A 82 -11.793 3.921 3.029 1.00 0.00 C ATOM 1181 CG LYS A 82 -11.806 3.534 1.549 1.00 0.00 C ATOM 1182 CD LYS A 82 -12.544 4.605 0.748 1.00 0.00 C ATOM 1183 CE LYS A 82 -14.043 4.303 0.749 1.00 0.00 C ATOM 1184 NZ LYS A 82 -14.792 5.494 0.259 1.00 0.00 N ATOM 0 H LYS A 82 -9.488 3.006 3.174 1.00 0.00 H new ATOM 0 HA LYS A 82 -10.549 5.627 2.572 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -11.741 3.026 3.649 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -12.718 4.436 3.289 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -10.785 3.428 1.181 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -12.293 2.568 1.419 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -12.360 5.588 1.181 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -12.169 4.632 -0.275 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -14.251 3.443 0.113 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -14.371 4.043 1.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -15.811 5.288 0.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -14.602 6.304 0.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -14.486 5.723 -0.708 1.00 0.00 H new ATOM 1198 N SER A 83 -10.543 4.648 5.733 1.00 0.00 N ATOM 1199 CA SER A 83 -10.669 5.174 7.125 1.00 0.00 C ATOM 1200 C SER A 83 -9.545 6.174 7.406 1.00 0.00 C ATOM 1201 O SER A 83 -9.791 7.323 7.722 1.00 0.00 O ATOM 1202 CB SER A 83 -10.576 4.014 8.117 1.00 0.00 C ATOM 1203 OG SER A 83 -9.507 3.156 7.739 1.00 0.00 O ATOM 0 H SER A 83 -10.309 3.658 5.666 1.00 0.00 H new ATOM 0 HA SER A 83 -11.631 5.674 7.234 1.00 0.00 H new ATOM 0 HB2 SER A 83 -10.413 4.395 9.125 1.00 0.00 H new ATOM 0 HB3 SER A 83 -11.514 3.459 8.134 1.00 0.00 H new ATOM 0 HG SER A 83 -9.444 2.412 8.374 1.00 0.00 H new ATOM 1209 N GLU A 84 -8.314 5.743 7.298 1.00 0.00 N ATOM 1210 CA GLU A 84 -7.162 6.659 7.561 1.00 0.00 C ATOM 1211 C GLU A 84 -7.213 7.859 6.608 1.00 0.00 C ATOM 1212 O GLU A 84 -6.662 8.905 6.892 1.00 0.00 O ATOM 1213 CB GLU A 84 -5.851 5.900 7.352 1.00 0.00 C ATOM 1214 CG GLU A 84 -5.708 4.820 8.426 1.00 0.00 C ATOM 1215 CD GLU A 84 -5.371 5.475 9.766 1.00 0.00 C ATOM 1216 OE1 GLU A 84 -4.336 6.117 9.845 1.00 0.00 O ATOM 1217 OE2 GLU A 84 -6.151 5.324 10.691 1.00 0.00 O ATOM 0 H GLU A 84 -8.056 4.791 7.038 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.221 7.018 8.589 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.835 5.446 6.361 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.008 6.589 7.400 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.634 4.251 8.510 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -4.925 4.115 8.146 1.00 0.00 H new ATOM 1224 N GLY A 85 -7.865 7.715 5.480 1.00 0.00 N ATOM 1225 CA GLY A 85 -7.946 8.845 4.509 1.00 0.00 C ATOM 1226 C GLY A 85 -6.555 9.124 3.942 1.00 0.00 C ATOM 1227 O GLY A 85 -6.198 10.257 3.676 1.00 0.00 O ATOM 0 H GLY A 85 -8.344 6.862 5.192 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -8.637 8.598 3.703 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -8.336 9.736 5.002 1.00 0.00 H new ATOM 1231 N LEU A 86 -5.765 8.096 3.759 1.00 0.00 N ATOM 1232 CA LEU A 86 -4.391 8.286 3.212 1.00 0.00 C ATOM 1233 C LEU A 86 -4.456 8.398 1.688 1.00 0.00 C ATOM 1234 O LEU A 86 -3.825 9.251 1.092 1.00 0.00 O ATOM 1235 CB LEU A 86 -3.522 7.090 3.598 1.00 0.00 C ATOM 1236 CG LEU A 86 -3.458 6.975 5.121 1.00 0.00 C ATOM 1237 CD1 LEU A 86 -2.684 5.714 5.497 1.00 0.00 C ATOM 1238 CD2 LEU A 86 -2.743 8.198 5.701 1.00 0.00 C ATOM 0 H LEU A 86 -6.016 7.129 3.967 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.960 9.199 3.623 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.933 6.175 3.171 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.519 7.209 3.189 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.470 6.923 5.524 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.635 5.627 6.582 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.190 4.840 5.085 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.674 5.773 5.092 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.699 8.113 6.787 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.731 8.252 5.300 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.289 9.101 5.430 1.00 0.00 H new ATOM 1250 N GLY A 87 -5.218 7.541 1.054 1.00 0.00 N ATOM 1251 CA GLY A 87 -5.334 7.588 -0.433 1.00 0.00 C ATOM 1252 C GLY A 87 -6.644 6.930 -0.865 1.00 0.00 C ATOM 1253 O GLY A 87 -7.447 6.529 -0.042 1.00 0.00 O ATOM 0 H GLY A 87 -5.766 6.809 1.506 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -5.303 8.622 -0.778 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -4.489 7.074 -0.890 1.00 0.00 H new ATOM 1257 N GLU A 88 -6.868 6.818 -2.150 1.00 0.00 N ATOM 1258 CA GLU A 88 -8.126 6.187 -2.646 1.00 0.00 C ATOM 1259 C GLU A 88 -7.814 5.315 -3.865 1.00 0.00 C ATOM 1260 O GLU A 88 -8.041 4.119 -3.785 1.00 0.00 O ATOM 1261 CB GLU A 88 -9.125 7.278 -3.040 1.00 0.00 C ATOM 1262 CG GLU A 88 -8.490 8.223 -4.063 1.00 0.00 C ATOM 1263 CD GLU A 88 -9.097 9.620 -3.915 1.00 0.00 C ATOM 1264 OE1 GLU A 88 -10.300 9.740 -4.070 1.00 0.00 O ATOM 1265 OE2 GLU A 88 -8.347 10.545 -3.648 1.00 0.00 O ATOM 1266 OXT GLU A 88 -7.353 5.857 -4.856 1.00 0.00 O ATOM 0 H GLU A 88 -6.230 7.138 -2.879 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.557 5.569 -1.858 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -10.024 6.826 -3.459 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -9.432 7.838 -2.157 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -7.411 8.266 -3.913 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -8.657 7.848 -5.073 1.00 0.00 H new