USER MOD reduce.3.24.130724 H: found=0, std=0, add=625, rem=0, adj=19 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 34 ASN : amide:sc= -1.4 K(o=-4.5,f=-14!) USER MOD Set 1.2: A 43 ASN : amide:sc= -3.07 K(o=-4.5,f=-11!) USER MOD Set 2.1: A 25 THR OG1 : rot 180:sc= 0.0279 USER MOD Set 2.2: A 80 THR OG1 : rot 75:sc= 0.332 USER MOD Single : A 3 GLN : amide:sc= -1.7 K(o=-1.7,f=-3.6!) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.0288 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0473 USER MOD Single : A 20 THR OG1 : rot 78:sc= 1.07 USER MOD Single : A 24 GLN : amide:sc= -0.129 X(o=-0.13,f=-0.023) 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 158:sc= -3.27! USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN :FLIP amide:sc= 0.628! F(o=-1.3,f=0.63!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.0984 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -99:sc= 1.15 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 51:sc=0.000555 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN :FLIP amide:sc= -2.33 F(o=-2.8,f=-2.3) USER MOD Single : A 75 ASN : amide:sc= -4.72! C(o=-4.7!,f=-16!) USER MOD Single : A 81 MET CE :methyl 165:sc= 0 (180deg=-0.0337) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot -62:sc= 1.15 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -6.737 -9.029 -10.349 1.00 0.00 N ATOM 2 CA ALA A 2 -7.026 -8.734 -8.918 1.00 0.00 C ATOM 3 C ALA A 2 -6.276 -7.471 -8.493 1.00 0.00 C ATOM 4 O ALA A 2 -6.722 -6.736 -7.633 1.00 0.00 O ATOM 5 CB ALA A 2 -6.572 -9.911 -8.050 1.00 0.00 C ATOM 0 HA ALA A 2 -8.098 -8.580 -8.791 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -6.784 -9.694 -7.003 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -7.108 -10.812 -8.350 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -5.501 -10.066 -8.179 1.00 0.00 H new ATOM 13 N GLN A 3 -5.137 -7.211 -9.090 1.00 0.00 N ATOM 14 CA GLN A 3 -4.339 -5.994 -8.726 1.00 0.00 C ATOM 15 C GLN A 3 -5.220 -4.740 -8.768 1.00 0.00 C ATOM 16 O GLN A 3 -6.214 -4.693 -9.470 1.00 0.00 O ATOM 17 CB GLN A 3 -3.181 -5.828 -9.714 1.00 0.00 C ATOM 18 CG GLN A 3 -3.715 -5.827 -11.151 1.00 0.00 C ATOM 19 CD GLN A 3 -3.827 -4.388 -11.658 1.00 0.00 C ATOM 20 OE1 GLN A 3 -4.706 -3.655 -11.252 1.00 0.00 O ATOM 21 NE2 GLN A 3 -2.964 -3.950 -12.534 1.00 0.00 N ATOM 0 H GLN A 3 -4.723 -7.793 -9.818 1.00 0.00 H new ATOM 0 HA GLN A 3 -3.952 -6.121 -7.715 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -2.651 -4.897 -9.513 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -2.463 -6.638 -9.585 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -3.050 -6.400 -11.797 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -4.690 -6.313 -11.187 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -2.226 -4.566 -12.875 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -3.028 -2.992 -12.878 1.00 0.00 H new ATOM 30 N LYS A 4 -4.861 -3.731 -8.017 1.00 0.00 N ATOM 31 CA LYS A 4 -5.673 -2.478 -8.001 1.00 0.00 C ATOM 32 C LYS A 4 -4.741 -1.267 -7.974 1.00 0.00 C ATOM 33 O LYS A 4 -3.560 -1.390 -7.712 1.00 0.00 O ATOM 34 CB LYS A 4 -6.563 -2.466 -6.757 1.00 0.00 C ATOM 35 CG LYS A 4 -7.787 -1.583 -7.009 1.00 0.00 C ATOM 36 CD LYS A 4 -8.833 -1.840 -5.923 1.00 0.00 C ATOM 37 CE LYS A 4 -9.666 -3.067 -6.297 1.00 0.00 C ATOM 38 NZ LYS A 4 -10.889 -2.631 -7.028 1.00 0.00 N ATOM 0 H LYS A 4 -4.039 -3.721 -7.413 1.00 0.00 H new ATOM 0 HA LYS A 4 -6.296 -2.436 -8.895 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -6.878 -3.481 -6.513 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -6.003 -2.092 -5.900 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -7.497 -0.532 -7.008 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.207 -1.797 -7.992 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -8.344 -1.999 -4.962 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -9.479 -0.969 -5.812 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -9.079 -3.743 -6.919 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -9.943 -3.619 -5.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -11.457 -3.464 -7.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -11.451 -2.002 -6.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -10.614 -2.122 -7.892 1.00 0.00 H new ATOM 52 N THR A 5 -5.265 -0.099 -8.243 1.00 0.00 N ATOM 53 CA THR A 5 -4.417 1.129 -8.235 1.00 0.00 C ATOM 54 C THR A 5 -4.927 2.094 -7.163 1.00 0.00 C ATOM 55 O THR A 5 -6.093 2.438 -7.131 1.00 0.00 O ATOM 56 CB THR A 5 -4.488 1.805 -9.605 1.00 0.00 C ATOM 57 OG1 THR A 5 -4.323 0.827 -10.622 1.00 0.00 O ATOM 58 CG2 THR A 5 -3.380 2.853 -9.718 1.00 0.00 C ATOM 0 H THR A 5 -6.247 0.057 -8.469 1.00 0.00 H new ATOM 0 HA THR A 5 -3.384 0.857 -8.017 1.00 0.00 H new ATOM 0 HB THR A 5 -5.457 2.291 -9.721 1.00 0.00 H new ATOM 0 HG1 THR A 5 -4.370 1.258 -11.501 1.00 0.00 H new ATOM 0 HG21 THR A 5 -3.432 3.334 -10.695 1.00 0.00 H new ATOM 0 HG22 THR A 5 -3.507 3.603 -8.937 1.00 0.00 H new ATOM 0 HG23 THR A 5 -2.410 2.370 -9.602 1.00 0.00 H new ATOM 66 N PHE A 6 -4.060 2.530 -6.286 1.00 0.00 N ATOM 67 CA PHE A 6 -4.482 3.473 -5.210 1.00 0.00 C ATOM 68 C PHE A 6 -3.889 4.858 -5.480 1.00 0.00 C ATOM 69 O PHE A 6 -2.829 4.984 -6.063 1.00 0.00 O ATOM 70 CB PHE A 6 -3.984 2.957 -3.858 1.00 0.00 C ATOM 71 CG PHE A 6 -4.784 1.741 -3.458 1.00 0.00 C ATOM 72 CD1 PHE A 6 -4.444 0.480 -3.964 1.00 0.00 C ATOM 73 CD2 PHE A 6 -5.867 1.874 -2.582 1.00 0.00 C ATOM 74 CE1 PHE A 6 -5.187 -0.647 -3.594 1.00 0.00 C ATOM 75 CE2 PHE A 6 -6.610 0.747 -2.212 1.00 0.00 C ATOM 76 CZ PHE A 6 -6.271 -0.514 -2.717 1.00 0.00 C ATOM 0 H PHE A 6 -3.073 2.272 -6.270 1.00 0.00 H new ATOM 0 HA PHE A 6 -5.570 3.543 -5.194 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -2.925 2.705 -3.920 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -4.082 3.735 -3.101 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -3.608 0.377 -4.640 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -6.130 2.846 -2.191 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -4.925 -1.619 -3.985 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -7.446 0.850 -1.536 1.00 0.00 H new ATOM 0 HZ PHE A 6 -6.845 -1.383 -2.431 1.00 0.00 H new ATOM 86 N LYS A 7 -4.568 5.895 -5.058 1.00 0.00 N ATOM 87 CA LYS A 7 -4.053 7.278 -5.286 1.00 0.00 C ATOM 88 C LYS A 7 -3.474 7.827 -3.980 1.00 0.00 C ATOM 89 O LYS A 7 -4.178 7.991 -3.001 1.00 0.00 O ATOM 90 CB LYS A 7 -5.198 8.179 -5.755 1.00 0.00 C ATOM 91 CG LYS A 7 -5.421 7.985 -7.257 1.00 0.00 C ATOM 92 CD LYS A 7 -4.488 8.913 -8.036 1.00 0.00 C ATOM 93 CE LYS A 7 -5.184 10.254 -8.277 1.00 0.00 C ATOM 94 NZ LYS A 7 -4.213 11.219 -8.868 1.00 0.00 N ATOM 0 H LYS A 7 -5.459 5.842 -4.564 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.274 7.255 -6.048 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -6.110 7.940 -5.208 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.963 9.222 -5.544 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.232 6.947 -7.532 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.459 8.198 -7.512 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -3.563 9.066 -7.480 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.216 8.457 -8.988 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -6.033 10.120 -8.947 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -5.577 10.646 -7.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -4.686 12.131 -9.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.416 11.355 -8.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -3.859 10.845 -9.772 1.00 0.00 H new ATOM 108 N VAL A 8 -2.197 8.109 -3.962 1.00 0.00 N ATOM 109 CA VAL A 8 -1.557 8.646 -2.723 1.00 0.00 C ATOM 110 C VAL A 8 -1.921 10.122 -2.554 1.00 0.00 C ATOM 111 O VAL A 8 -1.686 10.932 -3.432 1.00 0.00 O ATOM 112 CB VAL A 8 -0.038 8.507 -2.833 1.00 0.00 C ATOM 113 CG1 VAL A 8 0.611 8.905 -1.505 1.00 0.00 C ATOM 114 CG2 VAL A 8 0.320 7.054 -3.156 1.00 0.00 C ATOM 0 H VAL A 8 -1.567 7.990 -4.755 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.914 8.084 -1.860 1.00 0.00 H new ATOM 0 HB VAL A 8 0.327 9.159 -3.627 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.694 8.805 -1.585 1.00 0.00 H new ATOM 0 HG12 VAL A 8 0.358 9.939 -1.272 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.244 8.254 -0.711 1.00 0.00 H new ATOM 0 HG21 VAL A 8 1.403 6.955 -3.234 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.047 6.404 -2.362 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.140 6.768 -4.102 1.00 0.00 H new ATOM 124 N THR A 9 -2.488 10.475 -1.428 1.00 0.00 N ATOM 125 CA THR A 9 -2.868 11.898 -1.188 1.00 0.00 C ATOM 126 C THR A 9 -2.614 12.266 0.280 1.00 0.00 C ATOM 127 O THR A 9 -3.188 13.208 0.794 1.00 0.00 O ATOM 128 CB THR A 9 -4.351 12.088 -1.511 1.00 0.00 C ATOM 129 OG1 THR A 9 -4.646 11.468 -2.755 1.00 0.00 O ATOM 130 CG2 THR A 9 -4.672 13.581 -1.593 1.00 0.00 C ATOM 0 H THR A 9 -2.704 9.836 -0.663 1.00 0.00 H new ATOM 0 HA THR A 9 -2.267 12.543 -1.828 1.00 0.00 H new ATOM 0 HB THR A 9 -4.955 11.633 -0.726 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.596 11.587 -2.963 1.00 0.00 H new ATOM 0 HG21 THR A 9 -5.729 13.714 -1.823 1.00 0.00 H new ATOM 0 HG22 THR A 9 -4.446 14.055 -0.638 1.00 0.00 H new ATOM 0 HG23 THR A 9 -4.070 14.040 -2.377 1.00 0.00 H new ATOM 138 N ALA A 10 -1.760 11.536 0.957 1.00 0.00 N ATOM 139 CA ALA A 10 -1.471 11.845 2.387 1.00 0.00 C ATOM 140 C ALA A 10 -0.519 13.040 2.469 1.00 0.00 C ATOM 141 O ALA A 10 0.372 13.188 1.654 1.00 0.00 O ATOM 142 CB ALA A 10 -0.822 10.628 3.051 1.00 0.00 C ATOM 0 H ALA A 10 -1.251 10.738 0.577 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.401 12.086 2.902 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.611 10.853 4.096 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.501 9.777 2.993 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.108 10.386 2.537 1.00 0.00 H new ATOM 148 N ASP A 11 -0.699 13.890 3.449 1.00 0.00 N ATOM 149 CA ASP A 11 0.195 15.077 3.591 1.00 0.00 C ATOM 150 C ASP A 11 1.589 14.616 4.024 1.00 0.00 C ATOM 151 O ASP A 11 2.591 15.079 3.513 1.00 0.00 O ATOM 152 CB ASP A 11 -0.378 16.032 4.642 1.00 0.00 C ATOM 153 CG ASP A 11 -0.648 15.267 5.939 1.00 0.00 C ATOM 154 OD1 ASP A 11 0.266 15.160 6.741 1.00 0.00 O ATOM 155 OD2 ASP A 11 -1.763 14.802 6.109 1.00 0.00 O ATOM 0 H ASP A 11 -1.428 13.812 4.158 1.00 0.00 H new ATOM 0 HA ASP A 11 0.263 15.594 2.634 1.00 0.00 H new ATOM 0 HB2 ASP A 11 0.322 16.847 4.828 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.300 16.482 4.275 1.00 0.00 H new ATOM 160 N SER A 12 1.656 13.704 4.963 1.00 0.00 N ATOM 161 CA SER A 12 2.982 13.204 5.434 1.00 0.00 C ATOM 162 C SER A 12 3.639 12.382 4.326 1.00 0.00 C ATOM 163 O SER A 12 4.844 12.401 4.158 1.00 0.00 O ATOM 164 CB SER A 12 2.790 12.319 6.668 1.00 0.00 C ATOM 165 OG SER A 12 1.560 11.614 6.556 1.00 0.00 O ATOM 0 H SER A 12 0.848 13.285 5.423 1.00 0.00 H new ATOM 0 HA SER A 12 3.616 14.053 5.689 1.00 0.00 H new ATOM 0 HB2 SER A 12 3.618 11.616 6.758 1.00 0.00 H new ATOM 0 HB3 SER A 12 2.791 12.930 7.571 1.00 0.00 H new ATOM 0 HG SER A 12 1.436 11.045 7.344 1.00 0.00 H new ATOM 171 N GLY A 13 2.854 11.656 3.572 1.00 0.00 N ATOM 172 CA GLY A 13 3.420 10.822 2.474 1.00 0.00 C ATOM 173 C GLY A 13 3.344 9.348 2.873 1.00 0.00 C ATOM 174 O GLY A 13 2.635 8.983 3.792 1.00 0.00 O ATOM 0 H GLY A 13 1.840 11.606 3.672 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.866 10.990 1.551 1.00 0.00 H new ATOM 0 HA3 GLY A 13 4.454 11.106 2.281 1.00 0.00 H new ATOM 178 N ILE A 14 4.070 8.500 2.190 1.00 0.00 N ATOM 179 CA ILE A 14 4.042 7.046 2.528 1.00 0.00 C ATOM 180 C ILE A 14 5.354 6.661 3.216 1.00 0.00 C ATOM 181 O ILE A 14 6.239 6.085 2.608 1.00 0.00 O ATOM 182 CB ILE A 14 3.875 6.217 1.247 1.00 0.00 C ATOM 183 CG1 ILE A 14 2.731 6.786 0.388 1.00 0.00 C ATOM 184 CG2 ILE A 14 3.566 4.763 1.614 1.00 0.00 C ATOM 185 CD1 ILE A 14 1.416 6.787 1.179 1.00 0.00 C ATOM 0 H ILE A 14 4.681 8.752 1.413 1.00 0.00 H new ATOM 0 HA ILE A 14 3.204 6.847 3.196 1.00 0.00 H new ATOM 0 HB ILE A 14 4.802 6.261 0.675 1.00 0.00 H new ATOM 0 HG12 ILE A 14 2.974 7.801 0.074 1.00 0.00 H new ATOM 0 HG13 ILE A 14 2.617 6.190 -0.518 1.00 0.00 H new ATOM 0 HG21 ILE A 14 3.448 4.175 0.704 1.00 0.00 H new ATOM 0 HG22 ILE A 14 4.386 4.355 2.205 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.644 4.722 2.195 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.618 7.192 0.557 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.166 5.767 1.471 1.00 0.00 H new ATOM 0 HD13 ILE A 14 1.529 7.403 2.071 1.00 0.00 H new ATOM 218 N ALA A 16 7.280 5.266 7.164 1.00 0.00 N ATOM 219 CA ALA A 16 7.111 4.097 8.082 1.00 0.00 C ATOM 220 C ALA A 16 5.721 4.080 8.737 1.00 0.00 C ATOM 221 O ALA A 16 5.206 3.023 9.047 1.00 0.00 O ATOM 222 CB ALA A 16 8.183 4.151 9.172 1.00 0.00 C ATOM 0 HA ALA A 16 7.213 3.188 7.489 1.00 0.00 H new ATOM 0 HB1 ALA A 16 8.063 3.300 9.843 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.171 4.114 8.713 1.00 0.00 H new ATOM 0 HB3 ALA A 16 8.080 5.077 9.738 1.00 0.00 H new ATOM 228 N ARG A 17 5.116 5.220 8.972 1.00 0.00 N ATOM 229 CA ARG A 17 3.768 5.226 9.633 1.00 0.00 C ATOM 230 C ARG A 17 2.750 4.434 8.781 1.00 0.00 C ATOM 231 O ARG A 17 2.224 3.439 9.247 1.00 0.00 O ATOM 232 CB ARG A 17 3.290 6.666 9.833 1.00 0.00 C ATOM 233 CG ARG A 17 3.826 7.204 11.160 1.00 0.00 C ATOM 234 CD ARG A 17 2.888 6.796 12.296 1.00 0.00 C ATOM 235 NE ARG A 17 1.715 7.714 12.327 1.00 0.00 N ATOM 236 CZ ARG A 17 0.971 7.788 13.397 1.00 0.00 C ATOM 237 NH1 ARG A 17 1.521 8.006 14.560 1.00 0.00 N ATOM 238 NH2 ARG A 17 -0.323 7.642 13.304 1.00 0.00 N ATOM 0 H ARG A 17 5.491 6.139 8.738 1.00 0.00 H new ATOM 0 HA ARG A 17 3.851 4.745 10.608 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.634 7.292 9.010 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.201 6.702 9.827 1.00 0.00 H new ATOM 0 HG2 ARG A 17 4.827 6.814 11.344 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.910 8.290 11.116 1.00 0.00 H new ATOM 0 HD2 ARG A 17 2.555 5.768 12.155 1.00 0.00 H new ATOM 0 HD3 ARG A 17 3.416 6.832 13.249 1.00 0.00 H new ATOM 0 HE ARG A 17 1.493 8.285 11.512 1.00 0.00 H new ATOM 0 HH11 ARG A 17 2.532 8.119 14.633 1.00 0.00 H new ATOM 0 HH12 ARG A 17 0.940 8.064 15.396 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -0.753 7.470 12.395 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -0.904 7.700 14.140 1.00 0.00 H new ATOM 252 N PRO A 18 2.497 4.864 7.554 1.00 0.00 N ATOM 253 CA PRO A 18 1.549 4.152 6.671 1.00 0.00 C ATOM 254 C PRO A 18 2.125 2.798 6.238 1.00 0.00 C ATOM 255 O PRO A 18 1.403 1.928 5.789 1.00 0.00 O ATOM 256 CB PRO A 18 1.380 5.094 5.475 1.00 0.00 C ATOM 257 CG PRO A 18 2.624 6.007 5.467 1.00 0.00 C ATOM 258 CD PRO A 18 3.115 6.058 6.923 1.00 0.00 C ATOM 0 HA PRO A 18 0.600 3.928 7.159 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.304 4.532 4.544 1.00 0.00 H new ATOM 0 HB3 PRO A 18 0.467 5.681 5.568 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.396 5.610 4.808 1.00 0.00 H new ATOM 0 HG3 PRO A 18 2.375 7.004 5.103 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.203 6.020 6.979 1.00 0.00 H new ATOM 0 HD3 PRO A 18 2.802 6.978 7.418 1.00 0.00 H new ATOM 266 N ALA A 19 3.416 2.611 6.376 1.00 0.00 N ATOM 267 CA ALA A 19 4.035 1.314 5.982 1.00 0.00 C ATOM 268 C ALA A 19 3.747 0.262 7.059 1.00 0.00 C ATOM 269 O ALA A 19 3.716 -0.923 6.783 1.00 0.00 O ATOM 270 CB ALA A 19 5.545 1.497 5.837 1.00 0.00 C ATOM 0 H ALA A 19 4.066 3.305 6.746 1.00 0.00 H new ATOM 0 HA ALA A 19 3.616 0.983 5.032 1.00 0.00 H new ATOM 0 HB1 ALA A 19 6.000 0.550 5.549 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.749 2.245 5.071 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.964 1.827 6.787 1.00 0.00 H new ATOM 276 N THR A 20 3.530 0.684 8.283 1.00 0.00 N ATOM 277 CA THR A 20 3.239 -0.288 9.376 1.00 0.00 C ATOM 278 C THR A 20 1.752 -0.648 9.346 1.00 0.00 C ATOM 279 O THR A 20 1.363 -1.741 9.713 1.00 0.00 O ATOM 280 CB THR A 20 3.577 0.338 10.730 1.00 0.00 C ATOM 281 OG1 THR A 20 4.730 1.156 10.600 1.00 0.00 O ATOM 282 CG2 THR A 20 3.846 -0.768 11.749 1.00 0.00 C ATOM 0 H THR A 20 3.543 1.663 8.569 1.00 0.00 H new ATOM 0 HA THR A 20 3.842 -1.184 9.232 1.00 0.00 H new ATOM 0 HB THR A 20 2.739 0.947 11.069 1.00 0.00 H new ATOM 0 HG1 THR A 20 4.481 2.009 10.186 1.00 0.00 H new ATOM 0 HG21 THR A 20 4.087 -0.323 12.714 1.00 0.00 H new ATOM 0 HG22 THR A 20 2.959 -1.394 11.849 1.00 0.00 H new ATOM 0 HG23 THR A 20 4.684 -1.378 11.411 1.00 0.00 H new ATOM 290 N VAL A 21 0.923 0.264 8.906 1.00 0.00 N ATOM 291 CA VAL A 21 -0.542 -0.017 8.844 1.00 0.00 C ATOM 292 C VAL A 21 -0.819 -0.976 7.693 1.00 0.00 C ATOM 293 O VAL A 21 -1.614 -1.891 7.801 1.00 0.00 O ATOM 294 CB VAL A 21 -1.300 1.283 8.593 1.00 0.00 C ATOM 295 CG1 VAL A 21 -2.805 1.026 8.699 1.00 0.00 C ATOM 296 CG2 VAL A 21 -0.892 2.335 9.628 1.00 0.00 C ATOM 0 H VAL A 21 1.199 1.193 8.587 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.867 -0.458 9.787 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.059 1.648 7.595 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.346 1.955 8.520 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.101 0.285 7.957 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.041 0.655 9.696 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.438 3.260 9.441 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.126 1.971 10.628 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.179 2.524 9.552 1.00 0.00 H new ATOM 306 N LEU A 22 -0.172 -0.752 6.586 1.00 0.00 N ATOM 307 CA LEU A 22 -0.380 -1.614 5.393 1.00 0.00 C ATOM 308 C LEU A 22 0.253 -2.991 5.607 1.00 0.00 C ATOM 309 O LEU A 22 -0.358 -4.005 5.339 1.00 0.00 O ATOM 310 CB LEU A 22 0.267 -0.933 4.193 1.00 0.00 C ATOM 311 CG LEU A 22 -0.481 0.363 3.885 1.00 0.00 C ATOM 312 CD1 LEU A 22 0.267 1.127 2.790 1.00 0.00 C ATOM 313 CD2 LEU A 22 -1.894 0.033 3.400 1.00 0.00 C ATOM 0 H LEU A 22 0.502 0.003 6.456 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.448 -1.753 5.224 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.315 -0.721 4.402 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.243 -1.595 3.328 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.540 0.975 4.785 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.262 2.053 2.566 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.275 1.359 3.132 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.321 0.514 1.891 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.428 0.957 3.180 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.836 -0.576 2.498 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.426 -0.518 4.176 1.00 0.00 H new ATOM 325 N VAL A 23 1.474 -3.036 6.080 1.00 0.00 N ATOM 326 CA VAL A 23 2.151 -4.353 6.301 1.00 0.00 C ATOM 327 C VAL A 23 1.331 -5.202 7.288 1.00 0.00 C ATOM 328 O VAL A 23 1.356 -6.417 7.241 1.00 0.00 O ATOM 329 CB VAL A 23 3.565 -4.113 6.855 1.00 0.00 C ATOM 330 CG1 VAL A 23 3.487 -3.405 8.210 1.00 0.00 C ATOM 331 CG2 VAL A 23 4.285 -5.455 7.026 1.00 0.00 C ATOM 0 H VAL A 23 2.032 -2.218 6.323 1.00 0.00 H new ATOM 0 HA VAL A 23 2.223 -4.889 5.355 1.00 0.00 H new ATOM 0 HB VAL A 23 4.116 -3.486 6.154 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.494 -3.240 8.593 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.983 -2.446 8.091 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.929 -4.024 8.912 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.287 -5.283 7.419 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.726 -6.082 7.720 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.355 -5.956 6.061 1.00 0.00 H new ATOM 341 N GLN A 24 0.615 -4.564 8.178 1.00 0.00 N ATOM 342 CA GLN A 24 -0.201 -5.319 9.173 1.00 0.00 C ATOM 343 C GLN A 24 -1.382 -6.002 8.473 1.00 0.00 C ATOM 344 O GLN A 24 -1.687 -7.150 8.736 1.00 0.00 O ATOM 345 CB GLN A 24 -0.731 -4.349 10.234 1.00 0.00 C ATOM 346 CG GLN A 24 0.379 -4.014 11.239 1.00 0.00 C ATOM 347 CD GLN A 24 0.069 -4.660 12.594 1.00 0.00 C ATOM 348 OE1 GLN A 24 0.889 -5.366 13.145 1.00 0.00 O ATOM 349 NE2 GLN A 24 -1.091 -4.446 13.154 1.00 0.00 N ATOM 0 H GLN A 24 0.561 -3.549 8.258 1.00 0.00 H new ATOM 0 HA GLN A 24 0.422 -6.079 9.645 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -1.089 -3.436 9.758 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.581 -4.793 10.753 1.00 0.00 H new ATOM 0 HG2 GLN A 24 1.339 -4.372 10.867 1.00 0.00 H new ATOM 0 HG3 GLN A 24 0.464 -2.933 11.353 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -1.779 -3.853 12.691 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -1.309 -4.872 14.055 1.00 0.00 H new ATOM 358 N THR A 25 -2.052 -5.301 7.594 1.00 0.00 N ATOM 359 CA THR A 25 -3.221 -5.901 6.882 1.00 0.00 C ATOM 360 C THR A 25 -2.750 -7.031 5.960 1.00 0.00 C ATOM 361 O THR A 25 -3.166 -8.166 6.094 1.00 0.00 O ATOM 362 CB THR A 25 -3.918 -4.824 6.049 1.00 0.00 C ATOM 363 OG1 THR A 25 -3.873 -3.586 6.745 1.00 0.00 O ATOM 364 CG2 THR A 25 -5.375 -5.223 5.809 1.00 0.00 C ATOM 0 H THR A 25 -1.839 -4.337 7.338 1.00 0.00 H new ATOM 0 HA THR A 25 -3.917 -6.305 7.617 1.00 0.00 H new ATOM 0 HB THR A 25 -3.410 -4.722 5.090 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.318 -2.895 6.212 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.870 -4.454 5.215 1.00 0.00 H new ATOM 0 HG22 THR A 25 -5.409 -6.172 5.274 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.886 -5.327 6.766 1.00 0.00 H new ATOM 372 N ALA A 26 -1.893 -6.724 5.018 1.00 0.00 N ATOM 373 CA ALA A 26 -1.391 -7.767 4.072 1.00 0.00 C ATOM 374 C ALA A 26 -0.725 -8.915 4.842 1.00 0.00 C ATOM 375 O ALA A 26 -0.608 -10.017 4.340 1.00 0.00 O ATOM 376 CB ALA A 26 -0.372 -7.140 3.119 1.00 0.00 C ATOM 0 H ALA A 26 -1.517 -5.788 4.863 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.235 -8.164 3.507 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.005 -7.899 2.428 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.847 -6.336 2.556 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.463 -6.737 3.693 1.00 0.00 H new ATOM 382 N SER A 27 -0.285 -8.668 6.053 1.00 0.00 N ATOM 383 CA SER A 27 0.375 -9.747 6.852 1.00 0.00 C ATOM 384 C SER A 27 -0.592 -10.920 7.034 1.00 0.00 C ATOM 385 O SER A 27 -0.207 -12.071 6.947 1.00 0.00 O ATOM 386 CB SER A 27 0.771 -9.196 8.223 1.00 0.00 C ATOM 387 OG SER A 27 1.219 -10.265 9.046 1.00 0.00 O ATOM 0 H SER A 27 -0.355 -7.765 6.522 1.00 0.00 H new ATOM 0 HA SER A 27 1.265 -10.092 6.326 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.559 -8.450 8.115 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.080 -8.696 8.687 1.00 0.00 H new ATOM 0 HG SER A 27 1.475 -9.916 9.925 1.00 0.00 H new ATOM 393 N LYS A 28 -1.843 -10.633 7.286 1.00 0.00 N ATOM 394 CA LYS A 28 -2.845 -11.722 7.475 1.00 0.00 C ATOM 395 C LYS A 28 -3.087 -12.439 6.143 1.00 0.00 C ATOM 396 O LYS A 28 -3.456 -13.599 6.117 1.00 0.00 O ATOM 397 CB LYS A 28 -4.160 -11.123 7.976 1.00 0.00 C ATOM 398 CG LYS A 28 -4.152 -11.081 9.505 1.00 0.00 C ATOM 399 CD LYS A 28 -3.307 -9.897 9.978 1.00 0.00 C ATOM 400 CE LYS A 28 -3.132 -9.968 11.496 1.00 0.00 C ATOM 401 NZ LYS A 28 -2.084 -8.997 11.921 1.00 0.00 N ATOM 0 H LYS A 28 -2.214 -9.687 7.369 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.467 -12.437 8.206 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.290 -10.118 7.575 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.001 -11.719 7.622 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.170 -10.988 9.882 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.748 -12.012 9.903 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.333 -9.913 9.488 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -3.788 -8.959 9.700 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.076 -9.742 11.993 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.849 -10.978 11.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.965 -9.045 12.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.184 -9.233 11.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.372 -8.035 11.650 1.00 0.00 H new ATOM 415 N TYR A 29 -2.885 -11.760 5.040 1.00 0.00 N ATOM 416 CA TYR A 29 -3.107 -12.403 3.711 1.00 0.00 C ATOM 417 C TYR A 29 -1.813 -13.065 3.238 1.00 0.00 C ATOM 418 O TYR A 29 -0.792 -12.420 3.091 1.00 0.00 O ATOM 419 CB TYR A 29 -3.545 -11.347 2.693 1.00 0.00 C ATOM 420 CG TYR A 29 -4.837 -10.718 3.156 1.00 0.00 C ATOM 421 CD1 TYR A 29 -6.060 -11.321 2.835 1.00 0.00 C ATOM 422 CD2 TYR A 29 -4.814 -9.539 3.908 1.00 0.00 C ATOM 423 CE1 TYR A 29 -7.260 -10.743 3.267 1.00 0.00 C ATOM 424 CE2 TYR A 29 -6.014 -8.961 4.341 1.00 0.00 C ATOM 425 CZ TYR A 29 -7.236 -9.564 4.021 1.00 0.00 C ATOM 426 OH TYR A 29 -8.419 -8.996 4.448 1.00 0.00 O ATOM 0 H TYR A 29 -2.576 -10.789 5.005 1.00 0.00 H new ATOM 0 HA TYR A 29 -3.887 -13.159 3.804 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -2.773 -10.585 2.587 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -3.680 -11.803 1.712 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.077 -12.232 2.254 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -3.871 -9.074 4.155 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.203 -11.207 3.019 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -5.996 -8.050 4.922 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.245 -8.418 5.220 1.00 0.00 H new ATOM 436 N ASP A 30 -1.855 -14.350 2.996 1.00 0.00 N ATOM 437 CA ASP A 30 -0.638 -15.073 2.528 1.00 0.00 C ATOM 438 C ASP A 30 -0.301 -14.661 1.089 1.00 0.00 C ATOM 439 O ASP A 30 0.808 -14.852 0.630 1.00 0.00 O ATOM 440 CB ASP A 30 -0.892 -16.581 2.578 1.00 0.00 C ATOM 441 CG ASP A 30 -1.140 -17.009 4.026 1.00 0.00 C ATOM 442 OD1 ASP A 30 -0.474 -16.482 4.901 1.00 0.00 O ATOM 443 OD2 ASP A 30 -1.992 -17.857 4.235 1.00 0.00 O ATOM 0 H ASP A 30 -2.686 -14.932 3.104 1.00 0.00 H new ATOM 0 HA ASP A 30 0.200 -14.818 3.177 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.753 -16.836 1.960 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.036 -17.118 2.170 1.00 0.00 H new ATOM 448 N ALA A 31 -1.248 -14.098 0.371 1.00 0.00 N ATOM 449 CA ALA A 31 -0.980 -13.676 -1.038 1.00 0.00 C ATOM 450 C ALA A 31 0.188 -12.685 -1.071 1.00 0.00 C ATOM 451 O ALA A 31 0.398 -11.929 -0.142 1.00 0.00 O ATOM 452 CB ALA A 31 -2.230 -13.011 -1.618 1.00 0.00 C ATOM 0 H ALA A 31 -2.195 -13.914 0.703 1.00 0.00 H new ATOM 0 HA ALA A 31 -0.723 -14.553 -1.632 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.035 -12.703 -2.645 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.059 -13.719 -1.602 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.488 -12.137 -1.020 1.00 0.00 H new ATOM 458 N ASP A 32 0.951 -12.694 -2.134 1.00 0.00 N ATOM 459 CA ASP A 32 2.113 -11.766 -2.238 1.00 0.00 C ATOM 460 C ASP A 32 1.675 -10.450 -2.884 1.00 0.00 C ATOM 461 O ASP A 32 1.695 -10.306 -4.092 1.00 0.00 O ATOM 462 CB ASP A 32 3.205 -12.414 -3.091 1.00 0.00 C ATOM 463 CG ASP A 32 3.676 -13.708 -2.423 1.00 0.00 C ATOM 464 OD1 ASP A 32 3.767 -13.723 -1.207 1.00 0.00 O ATOM 465 OD2 ASP A 32 3.937 -14.660 -3.139 1.00 0.00 O ATOM 0 H ASP A 32 0.817 -13.308 -2.937 1.00 0.00 H new ATOM 0 HA ASP A 32 2.499 -11.562 -1.239 1.00 0.00 H new ATOM 0 HB2 ASP A 32 2.823 -12.626 -4.090 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.043 -11.728 -3.210 1.00 0.00 H new ATOM 470 N VAL A 33 1.291 -9.487 -2.085 1.00 0.00 N ATOM 471 CA VAL A 33 0.863 -8.169 -2.640 1.00 0.00 C ATOM 472 C VAL A 33 2.083 -7.240 -2.703 1.00 0.00 C ATOM 473 O VAL A 33 2.714 -6.970 -1.697 1.00 0.00 O ATOM 474 CB VAL A 33 -0.238 -7.563 -1.747 1.00 0.00 C ATOM 475 CG1 VAL A 33 -1.393 -8.565 -1.597 1.00 0.00 C ATOM 476 CG2 VAL A 33 0.322 -7.231 -0.357 1.00 0.00 C ATOM 0 H VAL A 33 1.256 -9.558 -1.068 1.00 0.00 H new ATOM 0 HA VAL A 33 0.458 -8.296 -3.644 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.599 -6.647 -2.215 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.169 -8.133 -0.965 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.808 -8.791 -2.579 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.022 -9.482 -1.140 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.468 -6.804 0.261 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.697 -8.141 0.111 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.135 -6.512 -0.455 1.00 0.00 H new ATOM 486 N ASN A 34 2.429 -6.770 -3.876 1.00 0.00 N ATOM 487 CA ASN A 34 3.621 -5.880 -4.003 1.00 0.00 C ATOM 488 C ASN A 34 3.203 -4.500 -4.516 1.00 0.00 C ATOM 489 O ASN A 34 2.450 -4.382 -5.464 1.00 0.00 O ATOM 490 CB ASN A 34 4.614 -6.501 -4.989 1.00 0.00 C ATOM 491 CG ASN A 34 5.045 -7.881 -4.487 1.00 0.00 C ATOM 492 OD1 ASN A 34 4.317 -8.536 -3.768 1.00 0.00 O ATOM 493 ND2 ASN A 34 6.210 -8.354 -4.840 1.00 0.00 N ATOM 0 H ASN A 34 1.938 -6.964 -4.749 1.00 0.00 H new ATOM 0 HA ASN A 34 4.085 -5.770 -3.023 1.00 0.00 H new ATOM 0 HB2 ASN A 34 4.156 -6.588 -5.974 1.00 0.00 H new ATOM 0 HB3 ASN A 34 5.485 -5.855 -5.098 1.00 0.00 H new ATOM 0 HD21 ASN A 34 6.508 -9.273 -4.512 1.00 0.00 H new ATOM 0 HD22 ASN A 34 6.822 -7.805 -5.444 1.00 0.00 H new ATOM 500 N LEU A 35 3.706 -3.460 -3.901 1.00 0.00 N ATOM 501 CA LEU A 35 3.367 -2.078 -4.351 1.00 0.00 C ATOM 502 C LEU A 35 4.383 -1.644 -5.410 1.00 0.00 C ATOM 503 O LEU A 35 5.542 -2.012 -5.352 1.00 0.00 O ATOM 504 CB LEU A 35 3.431 -1.120 -3.156 1.00 0.00 C ATOM 505 CG LEU A 35 2.597 0.141 -3.449 1.00 0.00 C ATOM 506 CD1 LEU A 35 1.486 0.283 -2.403 1.00 0.00 C ATOM 507 CD2 LEU A 35 3.497 1.381 -3.398 1.00 0.00 C ATOM 0 H LEU A 35 4.340 -3.510 -3.103 1.00 0.00 H new ATOM 0 HA LEU A 35 2.361 -2.059 -4.771 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.055 -1.616 -2.261 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.466 -0.843 -2.956 1.00 0.00 H new ATOM 0 HG LEU A 35 2.155 0.050 -4.441 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.899 1.177 -2.615 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.839 -0.593 -2.438 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.929 0.367 -1.411 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.903 2.271 -3.606 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.943 1.466 -2.407 1.00 0.00 H new ATOM 0 HD23 LEU A 35 4.286 1.289 -4.145 1.00 0.00 H new ATOM 519 N GLU A 36 3.959 -0.875 -6.382 1.00 0.00 N ATOM 520 CA GLU A 36 4.900 -0.426 -7.452 1.00 0.00 C ATOM 521 C GLU A 36 5.013 1.101 -7.446 1.00 0.00 C ATOM 522 O GLU A 36 4.019 1.804 -7.470 1.00 0.00 O ATOM 523 CB GLU A 36 4.377 -0.892 -8.813 1.00 0.00 C ATOM 524 CG GLU A 36 5.474 -0.726 -9.866 1.00 0.00 C ATOM 525 CD GLU A 36 4.907 -1.051 -11.249 1.00 0.00 C ATOM 526 OE1 GLU A 36 3.839 -0.551 -11.562 1.00 0.00 O ATOM 527 OE2 GLU A 36 5.550 -1.795 -11.972 1.00 0.00 O ATOM 0 H GLU A 36 3.001 -0.539 -6.480 1.00 0.00 H new ATOM 0 HA GLU A 36 5.884 -0.856 -7.267 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.067 -1.935 -8.757 1.00 0.00 H new ATOM 0 HB3 GLU A 36 3.498 -0.313 -9.094 1.00 0.00 H new ATOM 0 HG2 GLU A 36 5.858 0.294 -9.849 1.00 0.00 H new ATOM 0 HG3 GLU A 36 6.312 -1.386 -9.641 1.00 0.00 H new ATOM 534 N TYR A 37 6.217 1.615 -7.422 1.00 0.00 N ATOM 535 CA TYR A 37 6.408 3.097 -7.422 1.00 0.00 C ATOM 536 C TYR A 37 7.832 3.430 -7.879 1.00 0.00 C ATOM 537 O TYR A 37 8.779 2.750 -7.533 1.00 0.00 O ATOM 538 CB TYR A 37 6.185 3.644 -6.011 1.00 0.00 C ATOM 539 CG TYR A 37 6.198 5.154 -6.050 1.00 0.00 C ATOM 540 CD1 TYR A 37 5.190 5.844 -6.733 1.00 0.00 C ATOM 541 CD2 TYR A 37 7.219 5.863 -5.404 1.00 0.00 C ATOM 542 CE1 TYR A 37 5.202 7.245 -6.771 1.00 0.00 C ATOM 543 CE2 TYR A 37 7.231 7.263 -5.442 1.00 0.00 C ATOM 544 CZ TYR A 37 6.223 7.953 -6.125 1.00 0.00 C ATOM 545 OH TYR A 37 6.235 9.332 -6.162 1.00 0.00 O ATOM 0 H TYR A 37 7.079 1.070 -7.402 1.00 0.00 H new ATOM 0 HA TYR A 37 5.691 3.553 -8.105 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.233 3.288 -5.617 1.00 0.00 H new ATOM 0 HB3 TYR A 37 6.964 3.280 -5.341 1.00 0.00 H new ATOM 0 HD1 TYR A 37 4.403 5.297 -7.231 1.00 0.00 H new ATOM 0 HD2 TYR A 37 7.997 5.330 -4.877 1.00 0.00 H new ATOM 0 HE1 TYR A 37 4.425 7.778 -7.298 1.00 0.00 H new ATOM 0 HE2 TYR A 37 8.018 7.810 -4.944 1.00 0.00 H new ATOM 0 HH TYR A 37 7.010 9.666 -5.664 1.00 0.00 H new ATOM 555 N ASN A 38 7.986 4.478 -8.651 1.00 0.00 N ATOM 556 CA ASN A 38 9.344 4.874 -9.137 1.00 0.00 C ATOM 557 C ASN A 38 9.934 3.751 -9.996 1.00 0.00 C ATOM 558 O ASN A 38 11.130 3.528 -10.005 1.00 0.00 O ATOM 559 CB ASN A 38 10.265 5.147 -7.940 1.00 0.00 C ATOM 560 CG ASN A 38 10.361 6.655 -7.695 1.00 0.00 C ATOM 561 OD1 ASN A 38 11.230 7.358 -8.369 1.00 0.00 O flip ATOM 562 ND2 ASN A 38 9.639 7.198 -6.882 1.00 0.00 N flip ATOM 0 H ASN A 38 7.225 5.079 -8.967 1.00 0.00 H new ATOM 0 HA ASN A 38 9.259 5.779 -9.738 1.00 0.00 H new ATOM 0 HB2 ASN A 38 9.879 4.648 -7.051 1.00 0.00 H new ATOM 0 HB3 ASN A 38 11.256 4.736 -8.131 1.00 0.00 H new ATOM 0 HD21 ASN A 38 8.960 6.648 -6.355 1.00 0.00 H new ATOM 0 HD22 ASN A 38 9.712 8.203 -6.726 1.00 0.00 H new ATOM 569 N GLY A 39 9.101 3.047 -10.722 1.00 0.00 N ATOM 570 CA GLY A 39 9.606 1.937 -11.587 1.00 0.00 C ATOM 571 C GLY A 39 10.269 0.867 -10.717 1.00 0.00 C ATOM 572 O GLY A 39 11.182 0.185 -11.145 1.00 0.00 O ATOM 0 H GLY A 39 8.092 3.194 -10.753 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.783 1.501 -12.153 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.321 2.325 -12.312 1.00 0.00 H new ATOM 576 N LYS A 40 9.811 0.715 -9.502 1.00 0.00 N ATOM 577 CA LYS A 40 10.400 -0.310 -8.593 1.00 0.00 C ATOM 578 C LYS A 40 9.284 -1.221 -8.081 1.00 0.00 C ATOM 579 O LYS A 40 8.120 -0.998 -8.359 1.00 0.00 O ATOM 580 CB LYS A 40 11.080 0.386 -7.412 1.00 0.00 C ATOM 581 CG LYS A 40 12.264 1.213 -7.920 1.00 0.00 C ATOM 582 CD LYS A 40 13.034 1.796 -6.734 1.00 0.00 C ATOM 583 CE LYS A 40 13.900 2.962 -7.214 1.00 0.00 C ATOM 584 NZ LYS A 40 15.137 3.036 -6.386 1.00 0.00 N ATOM 0 H LYS A 40 9.049 1.261 -9.099 1.00 0.00 H new ATOM 0 HA LYS A 40 11.139 -0.903 -9.133 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.368 1.030 -6.896 1.00 0.00 H new ATOM 0 HB3 LYS A 40 11.423 -0.354 -6.689 1.00 0.00 H new ATOM 0 HG2 LYS A 40 12.924 0.589 -8.523 1.00 0.00 H new ATOM 0 HG3 LYS A 40 11.908 2.016 -8.565 1.00 0.00 H new ATOM 0 HD2 LYS A 40 12.339 2.137 -5.967 1.00 0.00 H new ATOM 0 HD3 LYS A 40 13.659 1.028 -6.279 1.00 0.00 H new ATOM 0 HE2 LYS A 40 14.160 2.828 -8.264 1.00 0.00 H new ATOM 0 HE3 LYS A 40 13.344 3.897 -7.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 15.726 3.829 -6.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 14.879 3.183 -5.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 15.670 2.148 -6.478 1.00 0.00 H new ATOM 598 N THR A 41 9.627 -2.244 -7.340 1.00 0.00 N ATOM 599 CA THR A 41 8.580 -3.169 -6.814 1.00 0.00 C ATOM 600 C THR A 41 9.017 -3.738 -5.465 1.00 0.00 C ATOM 601 O THR A 41 9.811 -4.658 -5.398 1.00 0.00 O ATOM 602 CB THR A 41 8.365 -4.316 -7.803 1.00 0.00 C ATOM 603 OG1 THR A 41 8.133 -3.785 -9.101 1.00 0.00 O ATOM 604 CG2 THR A 41 7.156 -5.147 -7.366 1.00 0.00 C ATOM 0 H THR A 41 10.585 -2.478 -7.077 1.00 0.00 H new ATOM 0 HA THR A 41 7.649 -2.616 -6.686 1.00 0.00 H new ATOM 0 HB THR A 41 9.252 -4.950 -7.824 1.00 0.00 H new ATOM 0 HG1 THR A 41 7.997 -4.519 -9.735 1.00 0.00 H new ATOM 0 HG21 THR A 41 7.003 -5.964 -8.071 1.00 0.00 H new ATOM 0 HG22 THR A 41 7.335 -5.554 -6.371 1.00 0.00 H new ATOM 0 HG23 THR A 41 6.268 -4.515 -7.345 1.00 0.00 H new ATOM 612 N VAL A 42 8.492 -3.206 -4.393 1.00 0.00 N ATOM 613 CA VAL A 42 8.859 -3.722 -3.037 1.00 0.00 C ATOM 614 C VAL A 42 7.687 -4.510 -2.466 1.00 0.00 C ATOM 615 O VAL A 42 6.536 -4.184 -2.695 1.00 0.00 O ATOM 616 CB VAL A 42 9.189 -2.577 -2.061 1.00 0.00 C ATOM 617 CG1 VAL A 42 10.662 -2.189 -2.190 1.00 0.00 C ATOM 618 CG2 VAL A 42 8.305 -1.349 -2.333 1.00 0.00 C ATOM 0 H VAL A 42 7.824 -2.435 -4.396 1.00 0.00 H new ATOM 0 HA VAL A 42 9.742 -4.352 -3.150 1.00 0.00 H new ATOM 0 HB VAL A 42 8.992 -2.927 -1.048 1.00 0.00 H new ATOM 0 HG11 VAL A 42 10.887 -1.379 -1.496 1.00 0.00 H new ATOM 0 HG12 VAL A 42 11.287 -3.051 -1.956 1.00 0.00 H new ATOM 0 HG13 VAL A 42 10.864 -1.860 -3.210 1.00 0.00 H new ATOM 0 HG21 VAL A 42 8.558 -0.555 -1.630 1.00 0.00 H new ATOM 0 HG22 VAL A 42 8.472 -0.999 -3.352 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.257 -1.621 -2.210 1.00 0.00 H new ATOM 628 N ASN A 43 7.973 -5.532 -1.707 1.00 0.00 N ATOM 629 CA ASN A 43 6.884 -6.334 -1.091 1.00 0.00 C ATOM 630 C ASN A 43 6.222 -5.480 -0.014 1.00 0.00 C ATOM 631 O ASN A 43 6.894 -4.757 0.699 1.00 0.00 O ATOM 632 CB ASN A 43 7.476 -7.592 -0.454 1.00 0.00 C ATOM 633 CG ASN A 43 6.350 -8.551 -0.069 1.00 0.00 C ATOM 634 OD1 ASN A 43 6.296 -9.024 1.048 1.00 0.00 O ATOM 635 ND2 ASN A 43 5.443 -8.864 -0.954 1.00 0.00 N ATOM 0 H ASN A 43 8.918 -5.846 -1.487 1.00 0.00 H new ATOM 0 HA ASN A 43 6.154 -6.629 -1.845 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.159 -8.078 -1.151 1.00 0.00 H new ATOM 0 HB3 ASN A 43 8.058 -7.326 0.428 1.00 0.00 H new ATOM 0 HD21 ASN A 43 4.689 -9.506 -0.707 1.00 0.00 H new ATOM 0 HD22 ASN A 43 5.488 -8.467 -1.892 1.00 0.00 H new ATOM 642 N LEU A 44 4.920 -5.545 0.114 1.00 0.00 N ATOM 643 CA LEU A 44 4.246 -4.717 1.155 1.00 0.00 C ATOM 644 C LEU A 44 4.718 -5.134 2.549 1.00 0.00 C ATOM 645 O LEU A 44 4.543 -4.405 3.509 1.00 0.00 O ATOM 646 CB LEU A 44 2.735 -4.856 1.070 1.00 0.00 C ATOM 647 CG LEU A 44 2.109 -3.776 1.950 1.00 0.00 C ATOM 648 CD1 LEU A 44 1.943 -2.492 1.144 1.00 0.00 C ATOM 649 CD2 LEU A 44 0.766 -4.264 2.468 1.00 0.00 C ATOM 0 H LEU A 44 4.303 -6.129 -0.451 1.00 0.00 H new ATOM 0 HA LEU A 44 4.511 -3.675 0.977 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.400 -4.748 0.038 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.424 -5.846 1.404 1.00 0.00 H new ATOM 0 HG LEU A 44 2.758 -3.569 2.801 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.496 -1.722 1.773 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.918 -2.153 0.794 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.296 -2.681 0.288 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.317 -3.495 3.096 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.106 -4.475 1.626 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.910 -5.172 3.053 1.00 0.00 H new ATOM 661 N LYS A 45 5.343 -6.279 2.679 1.00 0.00 N ATOM 662 CA LYS A 45 5.855 -6.694 4.013 1.00 0.00 C ATOM 663 C LYS A 45 7.268 -6.126 4.167 1.00 0.00 C ATOM 664 O LYS A 45 8.199 -6.831 4.513 1.00 0.00 O ATOM 665 CB LYS A 45 5.891 -8.224 4.101 1.00 0.00 C ATOM 666 CG LYS A 45 4.461 -8.772 4.106 1.00 0.00 C ATOM 667 CD LYS A 45 4.077 -9.218 2.693 1.00 0.00 C ATOM 668 CE LYS A 45 2.652 -9.776 2.701 1.00 0.00 C ATOM 669 NZ LYS A 45 2.703 -11.260 2.826 1.00 0.00 N ATOM 0 H LYS A 45 5.518 -6.938 1.920 1.00 0.00 H new ATOM 0 HA LYS A 45 5.208 -6.320 4.806 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.445 -8.634 3.257 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.413 -8.534 5.006 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.385 -9.612 4.797 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.769 -8.007 4.457 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.145 -8.376 2.004 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.774 -9.977 2.338 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.087 -9.349 3.530 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.134 -9.495 1.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 1.735 -11.641 2.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.227 -11.658 2.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 3.182 -11.517 3.713 1.00 0.00 H new ATOM 683 N SER A 46 7.435 -4.849 3.900 1.00 0.00 N ATOM 684 CA SER A 46 8.785 -4.226 4.015 1.00 0.00 C ATOM 685 C SER A 46 8.616 -2.756 4.392 1.00 0.00 C ATOM 686 O SER A 46 8.494 -1.896 3.541 1.00 0.00 O ATOM 687 CB SER A 46 9.522 -4.344 2.675 1.00 0.00 C ATOM 688 OG SER A 46 10.911 -4.119 2.883 1.00 0.00 O ATOM 0 H SER A 46 6.691 -4.216 3.608 1.00 0.00 H new ATOM 0 HA SER A 46 9.368 -4.736 4.782 1.00 0.00 H new ATOM 0 HB2 SER A 46 9.362 -5.332 2.244 1.00 0.00 H new ATOM 0 HB3 SER A 46 9.127 -3.619 1.964 1.00 0.00 H new ATOM 0 HG SER A 46 11.386 -4.195 2.029 1.00 0.00 H new ATOM 694 N ILE A 47 8.591 -2.472 5.667 1.00 0.00 N ATOM 695 CA ILE A 47 8.411 -1.064 6.125 1.00 0.00 C ATOM 696 C ILE A 47 9.678 -0.260 5.835 1.00 0.00 C ATOM 697 O ILE A 47 9.618 0.848 5.333 1.00 0.00 O ATOM 698 CB ILE A 47 8.121 -1.052 7.627 1.00 0.00 C ATOM 699 CG1 ILE A 47 6.940 -1.996 7.912 1.00 0.00 C ATOM 700 CG2 ILE A 47 7.774 0.378 8.062 1.00 0.00 C ATOM 701 CD1 ILE A 47 6.575 -1.955 9.398 1.00 0.00 C ATOM 0 H ILE A 47 8.688 -3.159 6.415 1.00 0.00 H new ATOM 0 HA ILE A 47 7.575 -0.613 5.591 1.00 0.00 H new ATOM 0 HB ILE A 47 8.995 -1.389 8.185 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.079 -1.704 7.311 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.201 -3.014 7.622 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.566 0.393 9.132 1.00 0.00 H new ATOM 0 HG22 ILE A 47 8.614 1.038 7.846 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.894 0.721 7.517 1.00 0.00 H new ATOM 0 HD11 ILE A 47 5.738 -2.627 9.586 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.433 -2.269 9.992 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.294 -0.939 9.676 1.00 0.00 H new ATOM 713 N MET A 48 10.823 -0.810 6.144 1.00 0.00 N ATOM 714 CA MET A 48 12.102 -0.086 5.888 1.00 0.00 C ATOM 715 C MET A 48 12.313 0.076 4.378 1.00 0.00 C ATOM 716 O MET A 48 12.968 0.998 3.931 1.00 0.00 O ATOM 717 CB MET A 48 13.265 -0.883 6.481 1.00 0.00 C ATOM 718 CG MET A 48 14.556 -0.069 6.369 1.00 0.00 C ATOM 719 SD MET A 48 15.977 -1.191 6.360 1.00 0.00 S ATOM 720 CE MET A 48 17.183 -0.021 5.688 1.00 0.00 C ATOM 0 H MET A 48 10.927 -1.733 6.564 1.00 0.00 H new ATOM 0 HA MET A 48 12.058 0.899 6.353 1.00 0.00 H new ATOM 0 HB2 MET A 48 13.062 -1.119 7.525 1.00 0.00 H new ATOM 0 HB3 MET A 48 13.375 -1.831 5.955 1.00 0.00 H new ATOM 0 HG2 MET A 48 14.544 0.528 5.457 1.00 0.00 H new ATOM 0 HG3 MET A 48 14.634 0.627 7.204 1.00 0.00 H new ATOM 0 HE1 MET A 48 18.152 -0.511 5.596 1.00 0.00 H new ATOM 0 HE2 MET A 48 16.853 0.318 4.706 1.00 0.00 H new ATOM 0 HE3 MET A 48 17.271 0.835 6.357 1.00 0.00 H new ATOM 730 N GLY A 49 11.766 -0.817 3.591 1.00 0.00 N ATOM 731 CA GLY A 49 11.934 -0.725 2.110 1.00 0.00 C ATOM 732 C GLY A 49 11.068 0.410 1.557 1.00 0.00 C ATOM 733 O GLY A 49 11.461 1.107 0.640 1.00 0.00 O ATOM 0 H GLY A 49 11.209 -1.608 3.913 1.00 0.00 H new ATOM 0 HA2 GLY A 49 12.981 -0.548 1.864 1.00 0.00 H new ATOM 0 HA3 GLY A 49 11.652 -1.669 1.644 1.00 0.00 H new ATOM 737 N VAL A 50 9.894 0.598 2.105 1.00 0.00 N ATOM 738 CA VAL A 50 8.997 1.685 1.610 1.00 0.00 C ATOM 739 C VAL A 50 9.638 3.046 1.898 1.00 0.00 C ATOM 740 O VAL A 50 9.512 3.975 1.121 1.00 0.00 O ATOM 741 CB VAL A 50 7.640 1.594 2.316 1.00 0.00 C ATOM 742 CG1 VAL A 50 6.684 2.636 1.730 1.00 0.00 C ATOM 743 CG2 VAL A 50 7.049 0.195 2.115 1.00 0.00 C ATOM 0 H VAL A 50 9.518 0.045 2.875 1.00 0.00 H new ATOM 0 HA VAL A 50 8.851 1.574 0.536 1.00 0.00 H new ATOM 0 HB VAL A 50 7.776 1.783 3.381 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.720 2.569 2.234 1.00 0.00 H new ATOM 0 HG12 VAL A 50 7.100 3.633 1.874 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.550 2.449 0.665 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.084 0.132 2.618 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.916 0.006 1.050 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.726 -0.550 2.534 1.00 0.00 H new ATOM 753 N VAL A 51 10.319 3.171 3.008 1.00 0.00 N ATOM 754 CA VAL A 51 10.969 4.471 3.353 1.00 0.00 C ATOM 755 C VAL A 51 12.044 4.801 2.314 1.00 0.00 C ATOM 756 O VAL A 51 12.329 5.955 2.053 1.00 0.00 O ATOM 757 CB VAL A 51 11.612 4.369 4.739 1.00 0.00 C ATOM 758 CG1 VAL A 51 12.151 5.739 5.155 1.00 0.00 C ATOM 759 CG2 VAL A 51 10.563 3.909 5.753 1.00 0.00 C ATOM 0 H VAL A 51 10.453 2.427 3.692 1.00 0.00 H new ATOM 0 HA VAL A 51 10.217 5.260 3.358 1.00 0.00 H new ATOM 0 HB VAL A 51 12.431 3.650 4.707 1.00 0.00 H new ATOM 0 HG11 VAL A 51 12.609 5.666 6.142 1.00 0.00 H new ATOM 0 HG12 VAL A 51 12.897 6.071 4.433 1.00 0.00 H new ATOM 0 HG13 VAL A 51 11.332 6.458 5.187 1.00 0.00 H new ATOM 0 HG21 VAL A 51 11.019 3.836 6.740 1.00 0.00 H new ATOM 0 HG22 VAL A 51 9.746 4.630 5.783 1.00 0.00 H new ATOM 0 HG23 VAL A 51 10.176 2.933 5.459 1.00 0.00 H new ATOM 769 N SER A 52 12.641 3.798 1.722 1.00 0.00 N ATOM 770 CA SER A 52 13.700 4.048 0.700 1.00 0.00 C ATOM 771 C SER A 52 13.097 4.797 -0.490 1.00 0.00 C ATOM 772 O SER A 52 13.751 5.606 -1.122 1.00 0.00 O ATOM 773 CB SER A 52 14.280 2.713 0.226 1.00 0.00 C ATOM 774 OG SER A 52 13.354 2.079 -0.647 1.00 0.00 O ATOM 0 H SER A 52 12.440 2.815 1.903 1.00 0.00 H new ATOM 0 HA SER A 52 14.494 4.651 1.141 1.00 0.00 H new ATOM 0 HB2 SER A 52 15.227 2.877 -0.288 1.00 0.00 H new ATOM 0 HB3 SER A 52 14.489 2.070 1.081 1.00 0.00 H new ATOM 0 HG SER A 52 12.851 1.399 -0.152 1.00 0.00 H new ATOM 780 N LEU A 53 11.851 4.534 -0.798 1.00 0.00 N ATOM 781 CA LEU A 53 11.195 5.228 -1.945 1.00 0.00 C ATOM 782 C LEU A 53 10.873 6.669 -1.546 1.00 0.00 C ATOM 783 O LEU A 53 11.274 7.609 -2.208 1.00 0.00 O ATOM 784 CB LEU A 53 9.901 4.498 -2.314 1.00 0.00 C ATOM 785 CG LEU A 53 10.235 3.182 -3.028 1.00 0.00 C ATOM 786 CD1 LEU A 53 10.141 2.018 -2.038 1.00 0.00 C ATOM 787 CD2 LEU A 53 9.245 2.954 -4.174 1.00 0.00 C ATOM 0 H LEU A 53 11.260 3.867 -0.302 1.00 0.00 H new ATOM 0 HA LEU A 53 11.866 5.228 -2.804 1.00 0.00 H new ATOM 0 HB2 LEU A 53 9.317 4.298 -1.416 1.00 0.00 H new ATOM 0 HB3 LEU A 53 9.288 5.128 -2.959 1.00 0.00 H new ATOM 0 HG LEU A 53 11.248 3.238 -3.426 1.00 0.00 H new ATOM 0 HD11 LEU A 53 10.379 1.085 -2.549 1.00 0.00 H new ATOM 0 HD12 LEU A 53 10.848 2.176 -1.223 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.129 1.963 -1.636 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.484 2.019 -4.680 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.232 2.902 -3.775 1.00 0.00 H new ATOM 0 HD23 LEU A 53 9.314 3.778 -4.884 1.00 0.00 H new ATOM 799 N GLY A 54 10.155 6.848 -0.467 1.00 0.00 N ATOM 800 CA GLY A 54 9.804 8.225 -0.012 1.00 0.00 C ATOM 801 C GLY A 54 8.707 8.803 -0.908 1.00 0.00 C ATOM 802 O GLY A 54 8.918 9.771 -1.614 1.00 0.00 O ATOM 0 H GLY A 54 9.796 6.096 0.120 1.00 0.00 H new ATOM 0 HA2 GLY A 54 9.465 8.200 1.024 1.00 0.00 H new ATOM 0 HA3 GLY A 54 10.686 8.864 -0.043 1.00 0.00 H new ATOM 806 N ILE A 55 7.537 8.216 -0.882 1.00 0.00 N ATOM 807 CA ILE A 55 6.419 8.728 -1.727 1.00 0.00 C ATOM 808 C ILE A 55 5.875 10.018 -1.112 1.00 0.00 C ATOM 809 O ILE A 55 6.115 10.311 0.044 1.00 0.00 O ATOM 810 CB ILE A 55 5.303 7.680 -1.800 1.00 0.00 C ATOM 811 CG1 ILE A 55 5.882 6.349 -2.294 1.00 0.00 C ATOM 812 CG2 ILE A 55 4.221 8.153 -2.772 1.00 0.00 C ATOM 813 CD1 ILE A 55 5.066 5.190 -1.721 1.00 0.00 C ATOM 0 H ILE A 55 7.309 7.403 -0.310 1.00 0.00 H new ATOM 0 HA ILE A 55 6.785 8.928 -2.734 1.00 0.00 H new ATOM 0 HB ILE A 55 4.869 7.544 -0.809 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.865 6.315 -3.383 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.924 6.259 -1.989 1.00 0.00 H new ATOM 0 HG21 ILE A 55 3.427 7.408 -2.824 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.808 9.100 -2.424 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.656 8.289 -3.762 1.00 0.00 H new ATOM 0 HD11 ILE A 55 5.479 4.245 -2.073 1.00 0.00 H new ATOM 0 HD12 ILE A 55 5.106 5.220 -0.632 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.030 5.278 -2.048 1.00 0.00 H new ATOM 825 N ALA A 56 5.154 10.794 -1.880 1.00 0.00 N ATOM 826 CA ALA A 56 4.599 12.073 -1.348 1.00 0.00 C ATOM 827 C ALA A 56 3.144 12.233 -1.799 1.00 0.00 C ATOM 828 O ALA A 56 2.559 11.328 -2.365 1.00 0.00 O ATOM 829 CB ALA A 56 5.438 13.241 -1.876 1.00 0.00 C ATOM 0 H ALA A 56 4.926 10.596 -2.854 1.00 0.00 H new ATOM 0 HA ALA A 56 4.632 12.062 -0.259 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.038 14.179 -1.491 1.00 0.00 H new ATOM 0 HB2 ALA A 56 6.471 13.125 -1.548 1.00 0.00 H new ATOM 0 HB3 ALA A 56 5.403 13.251 -2.965 1.00 0.00 H new ATOM 835 N LYS A 57 2.562 13.378 -1.550 1.00 0.00 N ATOM 836 CA LYS A 57 1.145 13.609 -1.957 1.00 0.00 C ATOM 837 C LYS A 57 1.084 13.899 -3.458 1.00 0.00 C ATOM 838 O LYS A 57 1.951 14.552 -4.007 1.00 0.00 O ATOM 839 CB LYS A 57 0.581 14.807 -1.186 1.00 0.00 C ATOM 840 CG LYS A 57 1.498 16.026 -1.373 1.00 0.00 C ATOM 841 CD LYS A 57 2.258 16.312 -0.072 1.00 0.00 C ATOM 842 CE LYS A 57 1.571 17.452 0.686 1.00 0.00 C ATOM 843 NZ LYS A 57 2.594 18.244 1.424 1.00 0.00 N ATOM 0 H LYS A 57 3.010 14.165 -1.081 1.00 0.00 H new ATOM 0 HA LYS A 57 0.555 12.720 -1.734 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.424 15.039 -1.540 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.497 14.563 -0.127 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.203 15.841 -2.183 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.907 16.896 -1.658 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.288 15.416 0.548 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.291 16.580 -0.294 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.032 18.094 -0.011 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.836 17.049 1.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.128 19.018 1.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.089 17.628 2.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 3.280 18.640 0.750 1.00 0.00 H new ATOM 857 N GLY A 58 0.064 13.418 -4.122 1.00 0.00 N ATOM 858 CA GLY A 58 -0.064 13.662 -5.589 1.00 0.00 C ATOM 859 C GLY A 58 0.740 12.610 -6.353 1.00 0.00 C ATOM 860 O GLY A 58 1.394 12.910 -7.335 1.00 0.00 O ATOM 0 H GLY A 58 -0.687 12.865 -3.709 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.112 13.620 -5.885 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.297 14.661 -5.835 1.00 0.00 H new ATOM 864 N ALA A 59 0.693 11.379 -5.911 1.00 0.00 N ATOM 865 CA ALA A 59 1.451 10.298 -6.606 1.00 0.00 C ATOM 866 C ALA A 59 0.508 9.135 -6.918 1.00 0.00 C ATOM 867 O ALA A 59 -0.596 9.068 -6.409 1.00 0.00 O ATOM 868 CB ALA A 59 2.585 9.808 -5.704 1.00 0.00 C ATOM 0 H ALA A 59 0.160 11.076 -5.096 1.00 0.00 H new ATOM 0 HA ALA A 59 1.869 10.687 -7.535 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.139 9.018 -6.212 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.257 10.637 -5.482 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.169 9.419 -4.775 1.00 0.00 H new ATOM 874 N GLU A 60 0.936 8.221 -7.751 1.00 0.00 N ATOM 875 CA GLU A 60 0.071 7.058 -8.103 1.00 0.00 C ATOM 876 C GLU A 60 0.835 5.758 -7.845 1.00 0.00 C ATOM 877 O GLU A 60 1.905 5.540 -8.382 1.00 0.00 O ATOM 878 CB GLU A 60 -0.315 7.138 -9.582 1.00 0.00 C ATOM 879 CG GLU A 60 -1.578 7.987 -9.734 1.00 0.00 C ATOM 880 CD GLU A 60 -2.360 7.525 -10.966 1.00 0.00 C ATOM 881 OE1 GLU A 60 -2.477 6.325 -11.153 1.00 0.00 O ATOM 882 OE2 GLU A 60 -2.825 8.379 -11.702 1.00 0.00 O ATOM 0 H GLU A 60 1.850 8.231 -8.203 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.831 7.077 -7.491 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.501 7.574 -10.159 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.487 6.137 -9.979 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -2.198 7.898 -8.842 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -1.312 9.039 -9.833 1.00 0.00 H new ATOM 889 N ILE A 61 0.290 4.893 -7.028 1.00 0.00 N ATOM 890 CA ILE A 61 0.974 3.602 -6.729 1.00 0.00 C ATOM 891 C ILE A 61 0.143 2.446 -7.289 1.00 0.00 C ATOM 892 O ILE A 61 -1.070 2.442 -7.195 1.00 0.00 O ATOM 893 CB ILE A 61 1.124 3.442 -5.214 1.00 0.00 C ATOM 894 CG1 ILE A 61 -0.244 3.603 -4.545 1.00 0.00 C ATOM 895 CG2 ILE A 61 2.080 4.510 -4.681 1.00 0.00 C ATOM 896 CD1 ILE A 61 -0.124 3.304 -3.048 1.00 0.00 C ATOM 0 H ILE A 61 -0.603 5.027 -6.554 1.00 0.00 H new ATOM 0 HA ILE A 61 1.961 3.596 -7.191 1.00 0.00 H new ATOM 0 HB ILE A 61 1.523 2.452 -4.991 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.616 4.617 -4.695 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.966 2.928 -5.004 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.187 4.397 -3.602 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.054 4.396 -5.156 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.681 5.500 -4.904 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.099 3.419 -2.575 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.229 2.282 -2.908 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.584 3.997 -2.594 1.00 0.00 H new ATOM 908 N THR A 62 0.787 1.468 -7.877 1.00 0.00 N ATOM 909 CA THR A 62 0.037 0.312 -8.453 1.00 0.00 C ATOM 910 C THR A 62 0.298 -0.942 -7.614 1.00 0.00 C ATOM 911 O THR A 62 1.376 -1.505 -7.640 1.00 0.00 O ATOM 912 CB THR A 62 0.503 0.069 -9.891 1.00 0.00 C ATOM 913 OG1 THR A 62 0.910 1.300 -10.469 1.00 0.00 O ATOM 914 CG2 THR A 62 -0.645 -0.527 -10.707 1.00 0.00 C ATOM 0 H THR A 62 1.800 1.421 -7.982 1.00 0.00 H new ATOM 0 HA THR A 62 -1.030 0.534 -8.447 1.00 0.00 H new ATOM 0 HB THR A 62 1.343 -0.626 -9.889 1.00 0.00 H new ATOM 0 HG1 THR A 62 1.210 1.146 -11.389 1.00 0.00 H new ATOM 0 HG21 THR A 62 -0.312 -0.700 -11.731 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.955 -1.472 -10.262 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.487 0.166 -10.711 1.00 0.00 H new ATOM 922 N ILE A 63 -0.688 -1.383 -6.878 1.00 0.00 N ATOM 923 CA ILE A 63 -0.520 -2.603 -6.034 1.00 0.00 C ATOM 924 C ILE A 63 -0.995 -3.828 -6.826 1.00 0.00 C ATOM 925 O ILE A 63 -1.785 -3.713 -7.744 1.00 0.00 O ATOM 926 CB ILE A 63 -1.349 -2.441 -4.752 1.00 0.00 C ATOM 927 CG1 ILE A 63 -0.797 -1.260 -3.946 1.00 0.00 C ATOM 928 CG2 ILE A 63 -1.274 -3.718 -3.906 1.00 0.00 C ATOM 929 CD1 ILE A 63 -1.682 -1.007 -2.723 1.00 0.00 C ATOM 0 H ILE A 63 -1.609 -0.947 -6.825 1.00 0.00 H new ATOM 0 HA ILE A 63 0.528 -2.738 -5.766 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.390 -2.257 -5.018 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.225 -1.470 -3.630 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.760 -0.367 -4.570 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.866 -3.589 -3.000 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.666 -4.558 -4.480 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.236 -3.915 -3.636 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.285 -0.166 -2.154 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.696 -0.777 -3.049 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.696 -1.897 -2.094 1.00 0.00 H new ATOM 941 N SER A 64 -0.517 -4.997 -6.472 1.00 0.00 N ATOM 942 CA SER A 64 -0.939 -6.229 -7.200 1.00 0.00 C ATOM 943 C SER A 64 -0.901 -7.429 -6.251 1.00 0.00 C ATOM 944 O SER A 64 0.154 -7.927 -5.905 1.00 0.00 O ATOM 945 CB SER A 64 0.009 -6.478 -8.373 1.00 0.00 C ATOM 946 OG SER A 64 1.320 -6.059 -8.016 1.00 0.00 O ATOM 0 H SER A 64 0.146 -5.148 -5.712 1.00 0.00 H new ATOM 0 HA SER A 64 -1.955 -6.096 -7.573 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.012 -7.536 -8.635 1.00 0.00 H new ATOM 0 HB3 SER A 64 -0.332 -5.933 -9.253 1.00 0.00 H new ATOM 0 HG SER A 64 1.570 -6.463 -7.159 1.00 0.00 H new ATOM 952 N ALA A 65 -2.050 -7.902 -5.836 1.00 0.00 N ATOM 953 CA ALA A 65 -2.096 -9.077 -4.918 1.00 0.00 C ATOM 954 C ALA A 65 -2.157 -10.357 -5.755 1.00 0.00 C ATOM 955 O ALA A 65 -3.021 -10.512 -6.598 1.00 0.00 O ATOM 956 CB ALA A 65 -3.342 -8.985 -4.033 1.00 0.00 C ATOM 0 H ALA A 65 -2.960 -7.522 -6.096 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.207 -9.089 -4.287 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.376 -9.843 -3.362 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.305 -8.067 -3.446 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.234 -8.979 -4.660 1.00 0.00 H new ATOM 962 N SER A 66 -1.244 -11.271 -5.536 1.00 0.00 N ATOM 963 CA SER A 66 -1.246 -12.538 -6.327 1.00 0.00 C ATOM 964 C SER A 66 -0.966 -13.727 -5.404 1.00 0.00 C ATOM 965 O SER A 66 0.139 -13.906 -4.929 1.00 0.00 O ATOM 966 CB SER A 66 -0.169 -12.470 -7.411 1.00 0.00 C ATOM 967 OG SER A 66 0.137 -11.111 -7.698 1.00 0.00 O ATOM 0 H SER A 66 -0.499 -11.194 -4.844 1.00 0.00 H new ATOM 0 HA SER A 66 -2.223 -12.666 -6.793 1.00 0.00 H new ATOM 0 HB2 SER A 66 0.728 -12.993 -7.079 1.00 0.00 H new ATOM 0 HB3 SER A 66 -0.516 -12.973 -8.314 1.00 0.00 H new ATOM 0 HG SER A 66 0.828 -11.071 -8.392 1.00 0.00 H new ATOM 973 N GLY A 67 -1.961 -14.540 -5.154 1.00 0.00 N ATOM 974 CA GLY A 67 -1.764 -15.724 -4.267 1.00 0.00 C ATOM 975 C GLY A 67 -3.106 -16.419 -4.037 1.00 0.00 C ATOM 976 O GLY A 67 -3.929 -16.507 -4.930 1.00 0.00 O ATOM 0 H GLY A 67 -2.904 -14.433 -5.528 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.056 -16.418 -4.721 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.337 -15.411 -3.314 1.00 0.00 H new ATOM 980 N ALA A 68 -3.333 -16.913 -2.846 1.00 0.00 N ATOM 981 CA ALA A 68 -4.621 -17.606 -2.548 1.00 0.00 C ATOM 982 C ALA A 68 -5.699 -16.564 -2.240 1.00 0.00 C ATOM 983 O ALA A 68 -6.677 -16.442 -2.953 1.00 0.00 O ATOM 984 CB ALA A 68 -4.438 -18.524 -1.340 1.00 0.00 C ATOM 0 H ALA A 68 -2.679 -16.865 -2.065 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.924 -18.199 -3.411 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.378 -19.030 -1.122 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.669 -19.265 -1.559 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.136 -17.932 -0.476 1.00 0.00 H new ATOM 990 N ASP A 69 -5.522 -15.814 -1.183 1.00 0.00 N ATOM 991 CA ASP A 69 -6.528 -14.774 -0.817 1.00 0.00 C ATOM 992 C ASP A 69 -6.062 -13.412 -1.339 1.00 0.00 C ATOM 993 O ASP A 69 -6.171 -12.407 -0.664 1.00 0.00 O ATOM 994 CB ASP A 69 -6.680 -14.719 0.707 1.00 0.00 C ATOM 995 CG ASP A 69 -5.305 -14.565 1.363 1.00 0.00 C ATOM 996 OD1 ASP A 69 -4.545 -13.722 0.914 1.00 0.00 O ATOM 997 OD2 ASP A 69 -5.035 -15.292 2.304 1.00 0.00 O ATOM 0 H ASP A 69 -4.720 -15.878 -0.555 1.00 0.00 H new ATOM 0 HA ASP A 69 -7.490 -15.024 -1.264 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -7.322 -13.884 0.987 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -7.164 -15.627 1.066 1.00 0.00 H new ATOM 1002 N GLU A 70 -5.532 -13.382 -2.534 1.00 0.00 N ATOM 1003 CA GLU A 70 -5.038 -12.094 -3.117 1.00 0.00 C ATOM 1004 C GLU A 70 -6.170 -11.056 -3.185 1.00 0.00 C ATOM 1005 O GLU A 70 -5.999 -9.927 -2.765 1.00 0.00 O ATOM 1006 CB GLU A 70 -4.461 -12.331 -4.523 1.00 0.00 C ATOM 1007 CG GLU A 70 -5.382 -13.242 -5.356 1.00 0.00 C ATOM 1008 CD GLU A 70 -5.971 -12.456 -6.530 1.00 0.00 C ATOM 1009 OE1 GLU A 70 -5.265 -12.272 -7.509 1.00 0.00 O ATOM 1010 OE2 GLU A 70 -7.118 -12.053 -6.431 1.00 0.00 O ATOM 0 H GLU A 70 -5.419 -14.197 -3.136 1.00 0.00 H new ATOM 0 HA GLU A 70 -4.251 -11.708 -2.469 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -4.333 -11.376 -5.032 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -3.473 -12.784 -4.442 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -4.821 -14.100 -5.727 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.184 -13.633 -4.730 1.00 0.00 H new ATOM 1017 N ASN A 71 -7.315 -11.418 -3.710 1.00 0.00 N ATOM 1018 CA ASN A 71 -8.445 -10.441 -3.805 1.00 0.00 C ATOM 1019 C ASN A 71 -8.847 -9.968 -2.405 1.00 0.00 C ATOM 1020 O ASN A 71 -9.211 -8.824 -2.210 1.00 0.00 O ATOM 1021 CB ASN A 71 -9.647 -11.114 -4.472 1.00 0.00 C ATOM 1022 CG ASN A 71 -9.574 -10.909 -5.986 1.00 0.00 C ATOM 1023 OD1 ASN A 71 -9.421 -9.705 -6.463 1.00 0.00 O flip ATOM 1024 ND2 ASN A 71 -9.658 -11.857 -6.743 1.00 0.00 N flip ATOM 0 H ASN A 71 -7.516 -12.348 -4.077 1.00 0.00 H new ATOM 0 HA ASN A 71 -8.125 -9.584 -4.398 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -9.656 -12.179 -4.239 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -10.574 -10.694 -4.082 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -9.778 -12.799 -6.370 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -9.609 -11.710 -7.751 1.00 0.00 H new ATOM 1031 N ASP A 72 -8.795 -10.845 -1.436 1.00 0.00 N ATOM 1032 CA ASP A 72 -9.188 -10.462 -0.046 1.00 0.00 C ATOM 1033 C ASP A 72 -8.116 -9.571 0.593 1.00 0.00 C ATOM 1034 O ASP A 72 -8.399 -8.828 1.515 1.00 0.00 O ATOM 1035 CB ASP A 72 -9.361 -11.727 0.797 1.00 0.00 C ATOM 1036 CG ASP A 72 -10.360 -12.665 0.115 1.00 0.00 C ATOM 1037 OD1 ASP A 72 -11.523 -12.307 0.042 1.00 0.00 O ATOM 1038 OD2 ASP A 72 -9.943 -13.725 -0.323 1.00 0.00 O ATOM 0 H ASP A 72 -8.496 -11.814 -1.548 1.00 0.00 H new ATOM 0 HA ASP A 72 -10.126 -9.908 -0.087 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.401 -12.229 0.920 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -9.714 -11.466 1.795 1.00 0.00 H new ATOM 1043 N ALA A 73 -6.898 -9.633 0.122 1.00 0.00 N ATOM 1044 CA ALA A 73 -5.821 -8.790 0.723 1.00 0.00 C ATOM 1045 C ALA A 73 -5.891 -7.357 0.192 1.00 0.00 C ATOM 1046 O ALA A 73 -5.818 -6.412 0.951 1.00 0.00 O ATOM 1047 CB ALA A 73 -4.455 -9.375 0.379 1.00 0.00 C ATOM 0 H ALA A 73 -6.602 -10.229 -0.651 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.964 -8.778 1.804 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -3.673 -8.757 0.820 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -4.383 -10.388 0.775 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -4.332 -9.399 -0.704 1.00 0.00 H new ATOM 1053 N LEU A 74 -6.002 -7.184 -1.101 1.00 0.00 N ATOM 1054 CA LEU A 74 -6.041 -5.804 -1.671 1.00 0.00 C ATOM 1055 C LEU A 74 -7.239 -5.023 -1.126 1.00 0.00 C ATOM 1056 O LEU A 74 -7.106 -3.872 -0.756 1.00 0.00 O ATOM 1057 CB LEU A 74 -6.113 -5.869 -3.198 1.00 0.00 C ATOM 1058 CG LEU A 74 -7.322 -6.694 -3.642 1.00 0.00 C ATOM 1059 CD1 LEU A 74 -8.512 -5.762 -3.896 1.00 0.00 C ATOM 1060 CD2 LEU A 74 -6.972 -7.437 -4.933 1.00 0.00 C ATOM 0 H LEU A 74 -6.067 -7.938 -1.785 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.129 -5.286 -1.376 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -6.182 -4.861 -3.608 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -5.198 -6.312 -3.593 1.00 0.00 H new ATOM 0 HG LEU A 74 -7.585 -7.410 -2.864 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -9.374 -6.350 -4.212 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -8.756 -5.225 -2.979 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -8.254 -5.047 -4.677 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -7.829 -8.028 -5.256 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.714 -6.716 -5.709 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -6.123 -8.097 -4.754 1.00 0.00 H new ATOM 1072 N ASN A 75 -8.404 -5.624 -1.082 1.00 0.00 N ATOM 1073 CA ASN A 75 -9.597 -4.884 -0.565 1.00 0.00 C ATOM 1074 C ASN A 75 -9.432 -4.648 0.938 1.00 0.00 C ATOM 1075 O ASN A 75 -9.953 -3.692 1.476 1.00 0.00 O ATOM 1076 CB ASN A 75 -10.890 -5.665 -0.856 1.00 0.00 C ATOM 1077 CG ASN A 75 -10.890 -6.999 -0.111 1.00 0.00 C ATOM 1078 OD1 ASN A 75 -9.906 -7.698 -0.108 1.00 0.00 O ATOM 1079 ND2 ASN A 75 -11.964 -7.381 0.522 1.00 0.00 N ATOM 0 H ASN A 75 -8.579 -6.584 -1.378 1.00 0.00 H new ATOM 0 HA ASN A 75 -9.670 -3.922 -1.072 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -11.754 -5.074 -0.554 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -10.982 -5.841 -1.928 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -11.973 -8.271 1.020 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -12.795 -6.790 0.519 1.00 0.00 H new ATOM 1086 N ALA A 76 -8.700 -5.501 1.619 1.00 0.00 N ATOM 1087 CA ALA A 76 -8.491 -5.301 3.085 1.00 0.00 C ATOM 1088 C ALA A 76 -7.723 -3.994 3.299 1.00 0.00 C ATOM 1089 O ALA A 76 -8.158 -3.122 4.027 1.00 0.00 O ATOM 1090 CB ALA A 76 -7.680 -6.464 3.657 1.00 0.00 C ATOM 0 H ALA A 76 -8.242 -6.322 1.223 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.456 -5.257 3.590 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -7.531 -6.313 4.726 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.218 -7.398 3.494 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.712 -6.512 3.159 1.00 0.00 H new ATOM 1096 N LEU A 77 -6.586 -3.856 2.666 1.00 0.00 N ATOM 1097 CA LEU A 77 -5.782 -2.610 2.822 1.00 0.00 C ATOM 1098 C LEU A 77 -6.572 -1.413 2.286 1.00 0.00 C ATOM 1099 O LEU A 77 -6.392 -0.297 2.732 1.00 0.00 O ATOM 1100 CB LEU A 77 -4.474 -2.746 2.039 1.00 0.00 C ATOM 1101 CG LEU A 77 -3.752 -4.042 2.450 1.00 0.00 C ATOM 1102 CD1 LEU A 77 -3.536 -4.923 1.221 1.00 0.00 C ATOM 1103 CD2 LEU A 77 -2.395 -3.703 3.071 1.00 0.00 C ATOM 0 H LEU A 77 -6.180 -4.556 2.046 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.563 -2.454 3.878 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.680 -2.757 0.969 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.833 -1.885 2.231 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.364 -4.574 3.178 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.025 -5.839 1.516 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.500 -5.172 0.778 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.929 -4.387 0.491 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.887 -4.623 3.361 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.786 -3.166 2.344 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.544 -3.078 3.952 1.00 0.00 H new ATOM 1115 N GLU A 78 -7.438 -1.633 1.325 1.00 0.00 N ATOM 1116 CA GLU A 78 -8.236 -0.504 0.754 1.00 0.00 C ATOM 1117 C GLU A 78 -9.126 0.115 1.839 1.00 0.00 C ATOM 1118 O GLU A 78 -9.094 1.309 2.066 1.00 0.00 O ATOM 1119 CB GLU A 78 -9.109 -1.030 -0.391 1.00 0.00 C ATOM 1120 CG GLU A 78 -9.849 0.135 -1.056 1.00 0.00 C ATOM 1121 CD GLU A 78 -9.941 -0.110 -2.565 1.00 0.00 C ATOM 1122 OE1 GLU A 78 -10.353 -1.193 -2.944 1.00 0.00 O ATOM 1123 OE2 GLU A 78 -9.597 0.789 -3.313 1.00 0.00 O ATOM 0 H GLU A 78 -7.626 -2.547 0.912 1.00 0.00 H new ATOM 0 HA GLU A 78 -7.557 0.261 0.377 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -8.490 -1.546 -1.125 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -9.825 -1.758 -0.010 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -10.848 0.234 -0.632 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -9.325 1.071 -0.860 1.00 0.00 H new ATOM 1130 N GLU A 79 -9.925 -0.685 2.502 1.00 0.00 N ATOM 1131 CA GLU A 79 -10.825 -0.145 3.566 1.00 0.00 C ATOM 1132 C GLU A 79 -9.992 0.512 4.670 1.00 0.00 C ATOM 1133 O GLU A 79 -10.443 1.425 5.335 1.00 0.00 O ATOM 1134 CB GLU A 79 -11.657 -1.286 4.157 1.00 0.00 C ATOM 1135 CG GLU A 79 -10.732 -2.403 4.646 1.00 0.00 C ATOM 1136 CD GLU A 79 -11.499 -3.322 5.597 1.00 0.00 C ATOM 1137 OE1 GLU A 79 -12.439 -3.957 5.147 1.00 0.00 O ATOM 1138 OE2 GLU A 79 -11.134 -3.377 6.760 1.00 0.00 O ATOM 0 H GLU A 79 -9.992 -1.692 2.351 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.489 0.602 3.131 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -12.264 -0.916 4.984 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -12.345 -1.674 3.406 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -10.354 -2.974 3.798 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -9.867 -1.977 5.154 1.00 0.00 H new ATOM 1145 N THR A 80 -8.776 0.063 4.862 1.00 0.00 N ATOM 1146 CA THR A 80 -7.909 0.668 5.913 1.00 0.00 C ATOM 1147 C THR A 80 -7.481 2.063 5.455 1.00 0.00 C ATOM 1148 O THR A 80 -7.332 2.973 6.248 1.00 0.00 O ATOM 1149 CB THR A 80 -6.670 -0.207 6.121 1.00 0.00 C ATOM 1150 OG1 THR A 80 -7.076 -1.538 6.402 1.00 0.00 O ATOM 1151 CG2 THR A 80 -5.847 0.335 7.290 1.00 0.00 C ATOM 0 H THR A 80 -8.348 -0.698 4.334 1.00 0.00 H new ATOM 0 HA THR A 80 -8.458 0.739 6.852 1.00 0.00 H new ATOM 0 HB THR A 80 -6.061 -0.194 5.217 1.00 0.00 H new ATOM 0 HG1 THR A 80 -7.392 -1.964 5.578 1.00 0.00 H new ATOM 0 HG21 THR A 80 -4.966 -0.290 7.435 1.00 0.00 H new ATOM 0 HG22 THR A 80 -5.535 1.357 7.073 1.00 0.00 H new ATOM 0 HG23 THR A 80 -6.452 0.325 8.196 1.00 0.00 H new ATOM 1159 N MET A 81 -7.295 2.232 4.171 1.00 0.00 N ATOM 1160 CA MET A 81 -6.887 3.558 3.629 1.00 0.00 C ATOM 1161 C MET A 81 -8.069 4.525 3.721 1.00 0.00 C ATOM 1162 O MET A 81 -7.899 5.716 3.899 1.00 0.00 O ATOM 1163 CB MET A 81 -6.473 3.397 2.163 1.00 0.00 C ATOM 1164 CG MET A 81 -5.271 2.455 2.071 1.00 0.00 C ATOM 1165 SD MET A 81 -3.745 3.393 2.333 1.00 0.00 S ATOM 1166 CE MET A 81 -3.258 3.521 0.594 1.00 0.00 C ATOM 0 H MET A 81 -7.410 1.500 3.470 1.00 0.00 H new ATOM 0 HA MET A 81 -6.049 3.950 4.205 1.00 0.00 H new ATOM 0 HB2 MET A 81 -7.305 3.000 1.581 1.00 0.00 H new ATOM 0 HB3 MET A 81 -6.221 4.368 1.737 1.00 0.00 H new ATOM 0 HG2 MET A 81 -5.357 1.665 2.817 1.00 0.00 H new ATOM 0 HG3 MET A 81 -5.249 1.971 1.095 1.00 0.00 H new ATOM 0 HE1 MET A 81 -2.487 4.284 0.487 1.00 0.00 H new ATOM 0 HE2 MET A 81 -2.869 2.561 0.253 1.00 0.00 H new ATOM 0 HE3 MET A 81 -4.125 3.795 -0.007 1.00 0.00 H new ATOM 1176 N LYS A 82 -9.267 4.014 3.599 1.00 0.00 N ATOM 1177 CA LYS A 82 -10.476 4.886 3.675 1.00 0.00 C ATOM 1178 C LYS A 82 -10.846 5.150 5.140 1.00 0.00 C ATOM 1179 O LYS A 82 -11.531 6.108 5.446 1.00 0.00 O ATOM 1180 CB LYS A 82 -11.644 4.189 2.973 1.00 0.00 C ATOM 1181 CG LYS A 82 -11.446 4.256 1.458 1.00 0.00 C ATOM 1182 CD LYS A 82 -12.066 3.019 0.805 1.00 0.00 C ATOM 1183 CE LYS A 82 -12.099 3.202 -0.714 1.00 0.00 C ATOM 1184 NZ LYS A 82 -13.425 3.746 -1.120 1.00 0.00 N ATOM 0 H LYS A 82 -9.460 3.024 3.449 1.00 0.00 H new ATOM 0 HA LYS A 82 -10.263 5.837 3.187 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -11.708 3.150 3.296 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -12.584 4.667 3.248 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -11.908 5.160 1.060 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -10.383 4.310 1.222 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -11.488 2.131 1.062 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -13.076 2.863 1.185 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -11.305 3.880 -1.027 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -11.918 2.248 -1.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -13.448 3.871 -2.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -14.174 3.084 -0.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -13.580 4.664 -0.657 1.00 0.00 H new ATOM 1198 N SER A 83 -10.405 4.309 6.046 1.00 0.00 N ATOM 1199 CA SER A 83 -10.736 4.510 7.490 1.00 0.00 C ATOM 1200 C SER A 83 -10.207 5.867 7.964 1.00 0.00 C ATOM 1201 O SER A 83 -10.861 6.566 8.714 1.00 0.00 O ATOM 1202 CB SER A 83 -10.090 3.397 8.318 1.00 0.00 C ATOM 1203 OG SER A 83 -8.685 3.601 8.367 1.00 0.00 O ATOM 0 H SER A 83 -9.829 3.491 5.845 1.00 0.00 H new ATOM 0 HA SER A 83 -11.818 4.484 7.616 1.00 0.00 H new ATOM 0 HB2 SER A 83 -10.503 3.392 9.327 1.00 0.00 H new ATOM 0 HB3 SER A 83 -10.312 2.425 7.878 1.00 0.00 H new ATOM 0 HG SER A 83 -8.317 3.561 7.460 1.00 0.00 H new ATOM 1209 N GLU A 84 -9.029 6.239 7.534 1.00 0.00 N ATOM 1210 CA GLU A 84 -8.452 7.549 7.957 1.00 0.00 C ATOM 1211 C GLU A 84 -8.389 8.494 6.757 1.00 0.00 C ATOM 1212 O GLU A 84 -8.843 9.622 6.820 1.00 0.00 O ATOM 1213 CB GLU A 84 -7.040 7.329 8.506 1.00 0.00 C ATOM 1214 CG GLU A 84 -7.123 6.644 9.871 1.00 0.00 C ATOM 1215 CD GLU A 84 -7.191 7.704 10.972 1.00 0.00 C ATOM 1216 OE1 GLU A 84 -6.210 8.406 11.152 1.00 0.00 O ATOM 1217 OE2 GLU A 84 -8.223 7.795 11.617 1.00 0.00 O ATOM 0 H GLU A 84 -8.441 5.690 6.907 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.081 7.989 8.731 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -6.461 6.716 7.815 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.521 8.283 8.597 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.003 6.002 9.915 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.254 6.004 10.022 1.00 0.00 H new ATOM 1224 N GLY A 85 -7.830 8.042 5.664 1.00 0.00 N ATOM 1225 CA GLY A 85 -7.731 8.908 4.452 1.00 0.00 C ATOM 1226 C GLY A 85 -6.268 9.008 4.018 1.00 0.00 C ATOM 1227 O GLY A 85 -5.728 10.089 3.873 1.00 0.00 O ATOM 0 H GLY A 85 -7.437 7.107 5.559 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -8.334 8.493 3.644 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -8.127 9.901 4.667 1.00 0.00 H new ATOM 1231 N LEU A 86 -5.625 7.888 3.813 1.00 0.00 N ATOM 1232 CA LEU A 86 -4.195 7.902 3.391 1.00 0.00 C ATOM 1233 C LEU A 86 -4.110 8.037 1.869 1.00 0.00 C ATOM 1234 O LEU A 86 -3.597 9.012 1.354 1.00 0.00 O ATOM 1235 CB LEU A 86 -3.524 6.599 3.825 1.00 0.00 C ATOM 1236 CG LEU A 86 -3.381 6.584 5.348 1.00 0.00 C ATOM 1237 CD1 LEU A 86 -2.838 5.227 5.791 1.00 0.00 C ATOM 1238 CD2 LEU A 86 -2.411 7.685 5.784 1.00 0.00 C ATOM 0 H LEU A 86 -6.033 6.959 3.921 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.688 8.746 3.858 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.116 5.745 3.496 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.544 6.508 3.356 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.355 6.757 5.805 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.735 5.213 6.876 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.527 4.441 5.482 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.864 5.057 5.332 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.311 7.673 6.869 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.436 7.513 5.327 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.794 8.655 5.466 1.00 0.00 H new ATOM 1250 N GLY A 87 -4.610 7.064 1.149 1.00 0.00 N ATOM 1251 CA GLY A 87 -4.559 7.128 -0.342 1.00 0.00 C ATOM 1252 C GLY A 87 -5.815 6.480 -0.929 1.00 0.00 C ATOM 1253 O GLY A 87 -6.070 5.308 -0.728 1.00 0.00 O ATOM 0 H GLY A 87 -5.052 6.228 1.531 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -4.487 8.165 -0.669 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -3.669 6.616 -0.707 1.00 0.00 H new ATOM 1257 N GLU A 88 -6.599 7.237 -1.655 1.00 0.00 N ATOM 1258 CA GLU A 88 -7.841 6.674 -2.262 1.00 0.00 C ATOM 1259 C GLU A 88 -8.055 7.288 -3.648 1.00 0.00 C ATOM 1260 O GLU A 88 -8.514 6.575 -4.526 1.00 0.00 O ATOM 1261 CB GLU A 88 -9.044 6.997 -1.369 1.00 0.00 C ATOM 1262 CG GLU A 88 -9.070 8.498 -1.050 1.00 0.00 C ATOM 1263 CD GLU A 88 -8.541 8.735 0.367 1.00 0.00 C ATOM 1264 OE1 GLU A 88 -8.905 7.975 1.249 1.00 0.00 O ATOM 1265 OE2 GLU A 88 -7.781 9.673 0.545 1.00 0.00 O ATOM 1266 OXT GLU A 88 -7.757 8.461 -3.808 1.00 0.00 O ATOM 0 H GLU A 88 -6.431 8.223 -1.853 1.00 0.00 H new ATOM 0 HA GLU A 88 -7.740 5.593 -2.354 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -9.968 6.707 -1.870 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -8.987 6.421 -0.445 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -8.461 9.043 -1.771 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -10.087 8.880 -1.137 1.00 0.00 H new