USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 476 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 31 GLN :FLIP amide:sc= -6.61! X(o=-8.9,f=-8.9!) USER MOD Set 1.2: A 41 GLN : amide:sc= -2.24 X(o=-8.9,f=-8.9!) USER MOD Set 2.1: A 9 THR OG1 : rot 110:sc= 0.671 USER MOD Set 2.2: A 11 LYS NZ :NH3+ 167:sc= 0.355 (180deg=-0.724) USER MOD Single : A 1 MET CE :methyl 156:sc= -4.63! (180deg=-6.15!) USER MOD Single : A 1 MET N :NH3+ 137:sc= 0.0437 (180deg=-0.148) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -140:sc= -1.12 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0096 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN :FLIP amide:sc= -0.825 F(o=-2!,f=-0.82) USER MOD Single : A 48 LYS NZ :NH3+ 172:sc= 0.0268 (180deg=0.0178) USER MOD Single : A 49 GLN : amide:sc= -0.366 X(o=-0.37,f=-0.36) USER MOD Single : A 55 THR OG1 : rot 137:sc= -0.788 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 15:sc= -2.88! USER MOD Single : A 60 ASN : amide:sc= -0.514 X(o=-0.51,f=-0.4) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 58:sc= 0.791! USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.224 USER MOD Single : A 68 HIS :FLIP no HD1:sc= -0.112 F(o=-1.4,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.041 -8.387 9.565 1.00 0.00 N ATOM 2 CA MET A 1 0.254 -7.803 9.263 1.00 0.00 C ATOM 3 C MET A 1 0.221 -6.281 9.428 1.00 0.00 C ATOM 4 O MET A 1 -0.820 -5.655 9.233 1.00 0.00 O ATOM 5 CB MET A 1 0.649 -8.151 7.826 1.00 0.00 C ATOM 6 CG MET A 1 -0.375 -7.609 6.828 1.00 0.00 C ATOM 7 SD MET A 1 0.392 -7.370 5.234 1.00 0.00 S ATOM 8 CE MET A 1 0.364 -9.047 4.623 1.00 0.00 C ATOM 0 H1 MET A 1 -1.268 -9.114 8.856 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.014 -8.821 10.510 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.770 -7.645 9.545 1.00 0.00 H new ATOM 0 HA MET A 1 0.986 -8.210 9.960 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.632 -7.736 7.605 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.729 -9.233 7.719 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.210 -8.304 6.738 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.783 -6.665 7.190 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.395 -9.038 3.533 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.229 -9.588 5.006 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.549 -9.540 4.956 1.00 0.00 H new ATOM 16 N GLN A 2 1.373 -5.732 9.786 1.00 0.00 N ATOM 17 CA GLN A 2 1.488 -4.297 9.979 1.00 0.00 C ATOM 18 C GLN A 2 2.508 -3.710 9.001 1.00 0.00 C ATOM 19 O GLN A 2 3.706 -3.710 9.274 1.00 0.00 O ATOM 20 CB GLN A 2 1.864 -3.968 11.425 1.00 0.00 C ATOM 21 CG GLN A 2 3.047 -4.818 11.892 1.00 0.00 C ATOM 22 CD GLN A 2 3.367 -4.551 13.364 1.00 0.00 C ATOM 23 OE1 GLN A 2 3.129 -5.370 14.237 1.00 0.00 O ATOM 24 NE2 GLN A 2 3.920 -3.362 13.591 1.00 0.00 N ATOM 0 H GLN A 2 2.234 -6.255 9.947 1.00 0.00 H new ATOM 0 HA GLN A 2 0.518 -3.844 9.777 1.00 0.00 H new ATOM 0 HB2 GLN A 2 2.117 -2.911 11.507 1.00 0.00 H new ATOM 0 HB3 GLN A 2 1.007 -4.142 12.076 1.00 0.00 H new ATOM 0 HG2 GLN A 2 2.818 -5.874 11.752 1.00 0.00 H new ATOM 0 HG3 GLN A 2 3.922 -4.597 11.280 1.00 0.00 H new ATOM 0 HE21 GLN A 2 4.092 -2.723 12.815 1.00 0.00 H new ATOM 0 HE22 GLN A 2 4.171 -3.090 14.541 1.00 0.00 H new ATOM 31 N ILE A 3 1.992 -3.223 7.881 1.00 0.00 N ATOM 32 CA ILE A 3 2.843 -2.635 6.861 1.00 0.00 C ATOM 33 C ILE A 3 2.911 -1.121 7.070 1.00 0.00 C ATOM 34 O ILE A 3 2.060 -0.545 7.747 1.00 0.00 O ATOM 35 CB ILE A 3 2.365 -3.041 5.465 1.00 0.00 C ATOM 36 CG1 ILE A 3 1.132 -2.235 5.051 1.00 0.00 C ATOM 37 CG2 ILE A 3 2.117 -4.548 5.388 1.00 0.00 C ATOM 38 CD1 ILE A 3 0.658 -2.637 3.653 1.00 0.00 C ATOM 0 H ILE A 3 0.997 -3.224 7.658 1.00 0.00 H new ATOM 0 HA ILE A 3 3.861 -3.016 6.949 1.00 0.00 H new ATOM 0 HB ILE A 3 3.156 -2.808 4.752 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.330 -2.396 5.771 1.00 0.00 H new ATOM 0 HG13 ILE A 3 1.367 -1.171 5.067 1.00 0.00 H new ATOM 0 HG21 ILE A 3 1.778 -4.810 4.386 1.00 0.00 H new ATOM 0 HG22 ILE A 3 3.042 -5.081 5.609 1.00 0.00 H new ATOM 0 HG23 ILE A 3 1.354 -4.829 6.114 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -0.219 -2.049 3.383 1.00 0.00 H new ATOM 0 HD12 ILE A 3 1.454 -2.452 2.932 1.00 0.00 H new ATOM 0 HD13 ILE A 3 0.401 -3.696 3.647 1.00 0.00 H new ATOM 49 N PHE A 4 3.932 -0.518 6.478 1.00 0.00 N ATOM 50 CA PHE A 4 4.122 0.918 6.592 1.00 0.00 C ATOM 51 C PHE A 4 4.172 1.576 5.211 1.00 0.00 C ATOM 52 O PHE A 4 4.081 0.893 4.191 1.00 0.00 O ATOM 53 CB PHE A 4 5.462 1.137 7.297 1.00 0.00 C ATOM 54 CG PHE A 4 5.668 0.253 8.529 1.00 0.00 C ATOM 55 CD1 PHE A 4 5.030 0.550 9.693 1.00 0.00 C ATOM 56 CD2 PHE A 4 6.491 -0.828 8.462 1.00 0.00 C ATOM 57 CE1 PHE A 4 5.221 -0.269 10.837 1.00 0.00 C ATOM 58 CE2 PHE A 4 6.682 -1.647 9.605 1.00 0.00 C ATOM 59 CZ PHE A 4 6.043 -1.351 10.769 1.00 0.00 C ATOM 0 H PHE A 4 4.636 -0.998 5.918 1.00 0.00 H new ATOM 0 HA PHE A 4 3.294 1.360 7.146 1.00 0.00 H new ATOM 0 HB2 PHE A 4 6.269 0.949 6.589 1.00 0.00 H new ATOM 0 HB3 PHE A 4 5.537 2.183 7.596 1.00 0.00 H new ATOM 0 HD1 PHE A 4 4.378 1.409 9.747 1.00 0.00 H new ATOM 0 HD2 PHE A 4 6.999 -1.063 7.539 1.00 0.00 H new ATOM 0 HE1 PHE A 4 4.714 -0.033 11.761 1.00 0.00 H new ATOM 0 HE2 PHE A 4 7.335 -2.506 9.551 1.00 0.00 H new ATOM 0 HZ PHE A 4 6.188 -1.975 11.639 1.00 0.00 H new ATOM 68 N VAL A 5 4.317 2.892 5.223 1.00 0.00 N ATOM 69 CA VAL A 5 4.380 3.649 3.984 1.00 0.00 C ATOM 70 C VAL A 5 5.088 4.981 4.242 1.00 0.00 C ATOM 71 O VAL A 5 4.929 5.577 5.307 1.00 0.00 O ATOM 72 CB VAL A 5 2.975 3.821 3.404 1.00 0.00 C ATOM 73 CG1 VAL A 5 2.012 4.378 4.454 1.00 0.00 C ATOM 74 CG2 VAL A 5 3.002 4.708 2.159 1.00 0.00 C ATOM 0 H VAL A 5 4.393 3.454 6.071 1.00 0.00 H new ATOM 0 HA VAL A 5 4.962 3.111 3.236 1.00 0.00 H new ATOM 0 HB VAL A 5 2.612 2.837 3.107 1.00 0.00 H new ATOM 0 HG11 VAL A 5 1.021 4.490 4.015 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.959 3.692 5.299 1.00 0.00 H new ATOM 0 HG13 VAL A 5 2.369 5.349 4.797 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.991 4.814 1.766 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.395 5.690 2.421 1.00 0.00 H new ATOM 0 HG23 VAL A 5 3.640 4.252 1.401 1.00 0.00 H new ATOM 84 N LYS A 6 5.853 5.410 3.250 1.00 0.00 N ATOM 85 CA LYS A 6 6.586 6.661 3.355 1.00 0.00 C ATOM 86 C LYS A 6 5.928 7.709 2.454 1.00 0.00 C ATOM 87 O LYS A 6 5.849 7.528 1.241 1.00 0.00 O ATOM 88 CB LYS A 6 8.070 6.439 3.059 1.00 0.00 C ATOM 89 CG LYS A 6 8.919 6.665 4.311 1.00 0.00 C ATOM 90 CD LYS A 6 10.370 6.977 3.940 1.00 0.00 C ATOM 91 CE LYS A 6 11.313 6.659 5.102 1.00 0.00 C ATOM 92 NZ LYS A 6 12.698 7.060 4.771 1.00 0.00 N ATOM 0 H LYS A 6 5.982 4.913 2.368 1.00 0.00 H new ATOM 0 HA LYS A 6 6.543 7.044 4.375 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.223 5.425 2.690 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.392 7.118 2.269 1.00 0.00 H new ATOM 0 HG2 LYS A 6 8.504 7.488 4.893 1.00 0.00 H new ATOM 0 HG3 LYS A 6 8.884 5.778 4.943 1.00 0.00 H new ATOM 0 HD2 LYS A 6 10.658 6.396 3.064 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.462 8.029 3.670 1.00 0.00 H new ATOM 0 HE2 LYS A 6 10.982 7.181 6.000 1.00 0.00 H new ATOM 0 HE3 LYS A 6 11.280 5.592 5.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 13.324 6.837 5.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 13.017 6.543 3.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 12.728 8.082 4.583 1.00 0.00 H new ATOM 102 N THR A 7 5.472 8.782 3.085 1.00 0.00 N ATOM 103 CA THR A 7 4.825 9.859 2.357 1.00 0.00 C ATOM 104 C THR A 7 5.848 10.925 1.958 1.00 0.00 C ATOM 105 O THR A 7 7.042 10.767 2.207 1.00 0.00 O ATOM 106 CB THR A 7 3.689 10.402 3.225 1.00 0.00 C ATOM 107 OG1 THR A 7 4.346 11.238 4.173 1.00 0.00 O ATOM 108 CG2 THR A 7 3.034 9.313 4.079 1.00 0.00 C ATOM 0 H THR A 7 5.538 8.928 4.092 1.00 0.00 H new ATOM 0 HA THR A 7 4.395 9.500 1.422 1.00 0.00 H new ATOM 0 HB THR A 7 2.936 10.867 2.589 1.00 0.00 H new ATOM 0 HG1 THR A 7 3.931 11.123 5.053 1.00 0.00 H new ATOM 0 HG21 THR A 7 2.234 9.751 4.676 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.621 8.541 3.430 1.00 0.00 H new ATOM 0 HG23 THR A 7 3.780 8.871 4.740 1.00 0.00 H new ATOM 116 N LEU A 8 5.343 11.986 1.348 1.00 0.00 N ATOM 117 CA LEU A 8 6.197 13.078 0.913 1.00 0.00 C ATOM 118 C LEU A 8 7.040 13.562 2.096 1.00 0.00 C ATOM 119 O LEU A 8 8.226 13.847 1.941 1.00 0.00 O ATOM 120 CB LEU A 8 5.365 14.182 0.259 1.00 0.00 C ATOM 121 CG LEU A 8 5.066 14.002 -1.231 1.00 0.00 C ATOM 122 CD1 LEU A 8 6.256 14.440 -2.086 1.00 0.00 C ATOM 123 CD2 LEU A 8 4.639 12.565 -1.535 1.00 0.00 C ATOM 0 H LEU A 8 4.352 12.113 1.144 1.00 0.00 H new ATOM 0 HA LEU A 8 6.890 12.736 0.144 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.418 14.260 0.793 1.00 0.00 H new ATOM 0 HB3 LEU A 8 5.886 15.130 0.393 1.00 0.00 H new ATOM 0 HG LEU A 8 4.228 14.648 -1.492 1.00 0.00 H new ATOM 0 HD11 LEU A 8 6.017 14.302 -3.140 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.472 15.492 -1.898 1.00 0.00 H new ATOM 0 HD13 LEU A 8 7.129 13.839 -1.830 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.433 12.464 -2.601 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.439 11.880 -1.254 1.00 0.00 H new ATOM 0 HD23 LEU A 8 3.740 12.325 -0.967 1.00 0.00 H new ATOM 134 N THR A 9 6.393 13.638 3.249 1.00 0.00 N ATOM 135 CA THR A 9 7.067 14.082 4.457 1.00 0.00 C ATOM 136 C THR A 9 7.901 12.945 5.051 1.00 0.00 C ATOM 137 O THR A 9 8.802 13.184 5.856 1.00 0.00 O ATOM 138 CB THR A 9 6.009 14.626 5.418 1.00 0.00 C ATOM 139 OG1 THR A 9 6.656 14.620 6.687 1.00 0.00 O ATOM 140 CG2 THR A 9 4.831 13.665 5.595 1.00 0.00 C ATOM 0 H THR A 9 5.409 13.400 3.373 1.00 0.00 H new ATOM 0 HA THR A 9 7.774 14.884 4.243 1.00 0.00 H new ATOM 0 HB THR A 9 5.644 15.585 5.051 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.830 15.542 6.970 1.00 0.00 H new ATOM 0 HG21 THR A 9 4.109 14.098 6.287 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.353 13.494 4.631 1.00 0.00 H new ATOM 0 HG23 THR A 9 5.192 12.717 5.994 1.00 0.00 H new ATOM 148 N GLY A 10 7.571 11.732 4.633 1.00 0.00 N ATOM 149 CA GLY A 10 8.278 10.557 5.114 1.00 0.00 C ATOM 150 C GLY A 10 7.527 9.902 6.275 1.00 0.00 C ATOM 151 O GLY A 10 7.759 8.736 6.590 1.00 0.00 O ATOM 0 H GLY A 10 6.824 11.537 3.967 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.394 9.840 4.301 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.280 10.838 5.437 1.00 0.00 H new ATOM 155 N LYS A 11 6.641 10.681 6.879 1.00 0.00 N ATOM 156 CA LYS A 11 5.855 10.191 7.998 1.00 0.00 C ATOM 157 C LYS A 11 5.496 8.723 7.760 1.00 0.00 C ATOM 158 O LYS A 11 4.836 8.393 6.775 1.00 0.00 O ATOM 159 CB LYS A 11 4.640 11.091 8.234 1.00 0.00 C ATOM 160 CG LYS A 11 4.665 11.690 9.641 1.00 0.00 C ATOM 161 CD LYS A 11 5.036 13.174 9.600 1.00 0.00 C ATOM 162 CE LYS A 11 3.889 14.009 9.028 1.00 0.00 C ATOM 163 NZ LYS A 11 4.402 15.283 8.475 1.00 0.00 N ATOM 0 H LYS A 11 6.450 11.647 6.614 1.00 0.00 H new ATOM 0 HA LYS A 11 6.437 10.232 8.919 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.627 11.892 7.494 1.00 0.00 H new ATOM 0 HB3 LYS A 11 3.725 10.515 8.096 1.00 0.00 H new ATOM 0 HG2 LYS A 11 3.688 11.569 10.109 1.00 0.00 H new ATOM 0 HG3 LYS A 11 5.383 11.149 10.257 1.00 0.00 H new ATOM 0 HD2 LYS A 11 5.277 13.520 10.605 1.00 0.00 H new ATOM 0 HD3 LYS A 11 5.930 13.313 8.992 1.00 0.00 H new ATOM 0 HE2 LYS A 11 3.376 13.447 8.247 1.00 0.00 H new ATOM 0 HE3 LYS A 11 3.156 14.213 9.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 3.662 15.735 7.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 4.671 15.917 9.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 5.234 15.093 7.880 1.00 0.00 H new ATOM 173 N THR A 12 5.945 7.880 8.678 1.00 0.00 N ATOM 174 CA THR A 12 5.679 6.455 8.579 1.00 0.00 C ATOM 175 C THR A 12 4.264 6.141 9.072 1.00 0.00 C ATOM 176 O THR A 12 3.969 6.286 10.257 1.00 0.00 O ATOM 177 CB THR A 12 6.770 5.716 9.357 1.00 0.00 C ATOM 178 OG1 THR A 12 7.947 5.919 8.579 1.00 0.00 O ATOM 179 CG2 THR A 12 6.571 4.199 9.345 1.00 0.00 C ATOM 0 H THR A 12 6.491 8.156 9.494 1.00 0.00 H new ATOM 0 HA THR A 12 5.712 6.118 7.543 1.00 0.00 H new ATOM 0 HB THR A 12 6.787 6.071 10.387 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.706 5.474 9.011 1.00 0.00 H new ATOM 0 HG21 THR A 12 7.372 3.723 9.911 1.00 0.00 H new ATOM 0 HG22 THR A 12 5.611 3.954 9.799 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.589 3.838 8.317 1.00 0.00 H new ATOM 187 N ILE A 13 3.427 5.718 8.136 1.00 0.00 N ATOM 188 CA ILE A 13 2.052 5.383 8.458 1.00 0.00 C ATOM 189 C ILE A 13 1.896 3.861 8.491 1.00 0.00 C ATOM 190 O ILE A 13 2.173 3.184 7.502 1.00 0.00 O ATOM 191 CB ILE A 13 1.090 6.079 7.493 1.00 0.00 C ATOM 192 CG1 ILE A 13 0.938 7.561 7.844 1.00 0.00 C ATOM 193 CG2 ILE A 13 -0.261 5.360 7.451 1.00 0.00 C ATOM 194 CD1 ILE A 13 2.087 8.383 7.253 1.00 0.00 C ATOM 0 H ILE A 13 3.676 5.600 7.154 1.00 0.00 H new ATOM 0 HA ILE A 13 1.793 5.752 9.450 1.00 0.00 H new ATOM 0 HB ILE A 13 1.515 6.026 6.491 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -0.014 7.933 7.464 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.918 7.682 8.927 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -0.926 5.875 6.758 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.116 4.332 7.119 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -0.704 5.360 8.447 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.956 9.433 7.516 1.00 0.00 H new ATOM 0 HD12 ILE A 13 3.035 8.024 7.653 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.089 8.279 6.168 1.00 0.00 H new ATOM 205 N THR A 14 1.452 3.368 9.638 1.00 0.00 N ATOM 206 CA THR A 14 1.256 1.938 9.812 1.00 0.00 C ATOM 207 C THR A 14 -0.065 1.501 9.179 1.00 0.00 C ATOM 208 O THR A 14 -1.056 2.229 9.232 1.00 0.00 O ATOM 209 CB THR A 14 1.346 1.628 11.307 1.00 0.00 C ATOM 210 OG1 THR A 14 2.386 2.482 11.778 1.00 0.00 O ATOM 211 CG2 THR A 14 1.870 0.216 11.581 1.00 0.00 C ATOM 0 H THR A 14 1.222 3.933 10.456 1.00 0.00 H new ATOM 0 HA THR A 14 2.030 1.367 9.300 1.00 0.00 H new ATOM 0 HB THR A 14 0.362 1.745 11.762 1.00 0.00 H new ATOM 0 HG1 THR A 14 2.510 2.347 12.741 1.00 0.00 H new ATOM 0 HG21 THR A 14 1.915 0.047 12.657 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.201 -0.515 11.126 1.00 0.00 H new ATOM 0 HG23 THR A 14 2.868 0.109 11.155 1.00 0.00 H new ATOM 219 N LEU A 15 -0.040 0.312 8.592 1.00 0.00 N ATOM 220 CA LEU A 15 -1.224 -0.232 7.950 1.00 0.00 C ATOM 221 C LEU A 15 -1.469 -1.652 8.462 1.00 0.00 C ATOM 222 O LEU A 15 -0.556 -2.474 8.484 1.00 0.00 O ATOM 223 CB LEU A 15 -1.096 -0.139 6.428 1.00 0.00 C ATOM 224 CG LEU A 15 -1.317 1.246 5.819 1.00 0.00 C ATOM 225 CD1 LEU A 15 -2.479 1.968 6.503 1.00 0.00 C ATOM 226 CD2 LEU A 15 -0.029 2.072 5.856 1.00 0.00 C ATOM 0 H LEU A 15 0.783 -0.289 8.548 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.104 0.356 8.210 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.101 -0.484 6.145 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.811 -0.829 5.980 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.590 1.118 4.771 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.614 2.950 6.050 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.392 1.384 6.382 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.261 2.085 7.565 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.213 3.053 5.417 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.297 2.192 6.889 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.748 1.560 5.288 1.00 0.00 H new ATOM 237 N GLU A 16 -2.709 -1.897 8.862 1.00 0.00 N ATOM 238 CA GLU A 16 -3.086 -3.203 9.372 1.00 0.00 C ATOM 239 C GLU A 16 -3.964 -3.937 8.355 1.00 0.00 C ATOM 240 O GLU A 16 -5.155 -4.138 8.588 1.00 0.00 O ATOM 241 CB GLU A 16 -3.797 -3.081 10.721 1.00 0.00 C ATOM 242 CG GLU A 16 -2.788 -3.054 11.871 1.00 0.00 C ATOM 243 CD GLU A 16 -2.599 -1.630 12.401 1.00 0.00 C ATOM 244 OE1 GLU A 16 -2.245 -0.760 11.575 1.00 0.00 O ATOM 245 OE2 GLU A 16 -2.811 -1.445 13.618 1.00 0.00 O ATOM 0 H GLU A 16 -3.465 -1.212 8.843 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.178 -3.786 9.528 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -4.398 -2.172 10.738 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.482 -3.919 10.853 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.132 -3.703 12.676 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -1.831 -3.449 11.530 1.00 0.00 H new ATOM 250 N VAL A 17 -3.341 -4.316 7.249 1.00 0.00 N ATOM 251 CA VAL A 17 -4.050 -5.023 6.196 1.00 0.00 C ATOM 252 C VAL A 17 -3.673 -6.505 6.238 1.00 0.00 C ATOM 253 O VAL A 17 -2.989 -6.949 7.161 1.00 0.00 O ATOM 254 CB VAL A 17 -3.762 -4.371 4.842 1.00 0.00 C ATOM 255 CG1 VAL A 17 -4.538 -3.061 4.688 1.00 0.00 C ATOM 256 CG2 VAL A 17 -2.261 -4.145 4.651 1.00 0.00 C ATOM 0 H VAL A 17 -2.353 -4.147 7.059 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.127 -4.958 6.351 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.100 -5.054 4.062 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -4.315 -2.618 3.717 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -5.607 -3.261 4.759 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.245 -2.370 5.478 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.084 -3.681 3.681 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.888 -3.492 5.440 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.740 -5.102 4.696 1.00 0.00 H new ATOM 266 N GLU A 18 -4.132 -7.230 5.230 1.00 0.00 N ATOM 267 CA GLU A 18 -3.851 -8.652 5.139 1.00 0.00 C ATOM 268 C GLU A 18 -3.147 -8.972 3.819 1.00 0.00 C ATOM 269 O GLU A 18 -3.217 -8.192 2.870 1.00 0.00 O ATOM 270 CB GLU A 18 -5.132 -9.475 5.292 1.00 0.00 C ATOM 271 CG GLU A 18 -6.262 -8.893 4.440 1.00 0.00 C ATOM 272 CD GLU A 18 -7.587 -9.602 4.729 1.00 0.00 C ATOM 273 OE1 GLU A 18 -7.661 -10.812 4.428 1.00 0.00 O ATOM 274 OE2 GLU A 18 -8.496 -8.916 5.246 1.00 0.00 O ATOM 0 H GLU A 18 -4.698 -6.858 4.467 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.184 -8.923 5.957 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.943 -10.507 4.996 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -5.434 -9.494 6.339 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.364 -7.827 4.644 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.014 -8.994 3.383 1.00 0.00 H new ATOM 279 N PRO A 19 -2.469 -10.150 3.800 1.00 0.00 N ATOM 280 CA PRO A 19 -1.754 -10.583 2.612 1.00 0.00 C ATOM 281 C PRO A 19 -2.724 -11.085 1.539 1.00 0.00 C ATOM 282 O PRO A 19 -2.302 -11.499 0.461 1.00 0.00 O ATOM 283 CB PRO A 19 -0.797 -11.660 3.098 1.00 0.00 C ATOM 284 CG PRO A 19 -1.335 -12.116 4.444 1.00 0.00 C ATOM 285 CD PRO A 19 -2.365 -11.098 4.906 1.00 0.00 C ATOM 0 HA PRO A 19 -1.208 -9.771 2.132 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -0.752 -12.490 2.393 1.00 0.00 H new ATOM 0 HB3 PRO A 19 0.216 -11.269 3.194 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.787 -13.104 4.359 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -0.526 -12.197 5.170 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.325 -11.571 5.114 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.049 -10.603 5.824 1.00 0.00 H new ATOM 290 N SER A 20 -4.005 -11.030 1.875 1.00 0.00 N ATOM 291 CA SER A 20 -5.038 -11.474 0.954 1.00 0.00 C ATOM 292 C SER A 20 -5.876 -10.279 0.493 1.00 0.00 C ATOM 293 O SER A 20 -6.764 -10.426 -0.345 1.00 0.00 O ATOM 294 CB SER A 20 -5.933 -12.533 1.600 1.00 0.00 C ATOM 295 OG SER A 20 -5.176 -13.606 2.153 1.00 0.00 O ATOM 0 H SER A 20 -4.351 -10.685 2.771 1.00 0.00 H new ATOM 0 HA SER A 20 -4.554 -11.926 0.088 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.533 -12.071 2.384 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.627 -12.924 0.856 1.00 0.00 H new ATOM 0 HG SER A 20 -5.783 -14.260 2.557 1.00 0.00 H new ATOM 300 N ASP A 21 -5.563 -9.123 1.061 1.00 0.00 N ATOM 301 CA ASP A 21 -6.277 -7.905 0.720 1.00 0.00 C ATOM 302 C ASP A 21 -5.753 -7.369 -0.615 1.00 0.00 C ATOM 303 O ASP A 21 -4.985 -8.043 -1.300 1.00 0.00 O ATOM 304 CB ASP A 21 -6.062 -6.824 1.781 1.00 0.00 C ATOM 305 CG ASP A 21 -7.246 -6.595 2.720 1.00 0.00 C ATOM 306 OD1 ASP A 21 -8.329 -7.138 2.412 1.00 0.00 O ATOM 307 OD2 ASP A 21 -7.042 -5.883 3.727 1.00 0.00 O ATOM 0 H ASP A 21 -4.825 -9.005 1.755 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.339 -8.143 0.659 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.190 -7.091 2.378 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.829 -5.885 1.279 1.00 0.00 H new ATOM 311 N THR A 22 -6.187 -6.161 -0.943 1.00 0.00 N ATOM 312 CA THR A 22 -5.771 -5.528 -2.183 1.00 0.00 C ATOM 313 C THR A 22 -5.123 -4.171 -1.896 1.00 0.00 C ATOM 314 O THR A 22 -5.185 -3.674 -0.772 1.00 0.00 O ATOM 315 CB THR A 22 -6.992 -5.436 -3.099 1.00 0.00 C ATOM 316 OG1 THR A 22 -7.419 -6.788 -3.245 1.00 0.00 O ATOM 317 CG2 THR A 22 -6.625 -5.006 -4.522 1.00 0.00 C ATOM 0 H THR A 22 -6.822 -5.604 -0.372 1.00 0.00 H new ATOM 0 HA THR A 22 -5.008 -6.117 -2.692 1.00 0.00 H new ATOM 0 HB THR A 22 -7.708 -4.730 -2.679 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.209 -6.821 -3.824 1.00 0.00 H new ATOM 0 HG21 THR A 22 -7.527 -4.956 -5.131 1.00 0.00 H new ATOM 0 HG22 THR A 22 -6.151 -4.025 -4.495 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.935 -5.730 -4.954 1.00 0.00 H new ATOM 325 N ILE A 23 -4.516 -3.611 -2.932 1.00 0.00 N ATOM 326 CA ILE A 23 -3.857 -2.322 -2.806 1.00 0.00 C ATOM 327 C ILE A 23 -4.911 -1.233 -2.598 1.00 0.00 C ATOM 328 O ILE A 23 -4.785 -0.405 -1.697 1.00 0.00 O ATOM 329 CB ILE A 23 -2.941 -2.069 -4.006 1.00 0.00 C ATOM 330 CG1 ILE A 23 -1.702 -2.964 -3.947 1.00 0.00 C ATOM 331 CG2 ILE A 23 -2.574 -0.588 -4.113 1.00 0.00 C ATOM 332 CD1 ILE A 23 -0.969 -2.800 -2.613 1.00 0.00 C ATOM 0 H ILE A 23 -4.467 -4.026 -3.862 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.208 -2.310 -1.930 1.00 0.00 H new ATOM 0 HB ILE A 23 -3.485 -2.332 -4.913 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -1.995 -4.006 -4.079 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.030 -2.715 -4.768 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.923 -0.436 -4.974 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.481 0.004 -4.235 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.056 -0.275 -3.206 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -0.092 -3.447 -2.598 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.656 -1.763 -2.495 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.636 -3.073 -1.795 1.00 0.00 H new ATOM 343 N GLU A 24 -5.929 -1.269 -3.446 1.00 0.00 N ATOM 344 CA GLU A 24 -7.005 -0.296 -3.365 1.00 0.00 C ATOM 345 C GLU A 24 -7.613 -0.292 -1.962 1.00 0.00 C ATOM 346 O GLU A 24 -8.215 0.697 -1.545 1.00 0.00 O ATOM 347 CB GLU A 24 -8.074 -0.571 -4.425 1.00 0.00 C ATOM 348 CG GLU A 24 -8.737 -1.931 -4.194 1.00 0.00 C ATOM 349 CD GLU A 24 -10.260 -1.822 -4.295 1.00 0.00 C ATOM 350 OE1 GLU A 24 -10.866 -1.403 -3.285 1.00 0.00 O ATOM 351 OE2 GLU A 24 -10.783 -2.158 -5.379 1.00 0.00 O ATOM 0 H GLU A 24 -6.031 -1.957 -4.192 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.590 0.692 -3.562 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.829 0.215 -4.398 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -7.623 -0.546 -5.417 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.370 -2.648 -4.929 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.460 -2.312 -3.211 1.00 0.00 H new ATOM 356 N ASN A 25 -7.437 -1.409 -1.271 1.00 0.00 N ATOM 357 CA ASN A 25 -7.960 -1.547 0.077 1.00 0.00 C ATOM 358 C ASN A 25 -7.022 -0.841 1.059 1.00 0.00 C ATOM 359 O ASN A 25 -7.467 -0.304 2.072 1.00 0.00 O ATOM 360 CB ASN A 25 -8.053 -3.018 0.485 1.00 0.00 C ATOM 361 CG ASN A 25 -9.494 -3.521 0.398 1.00 0.00 C ATOM 362 OD1 ASN A 25 -10.171 -3.721 1.394 1.00 0.00 O ATOM 363 ND2 ASN A 25 -9.925 -3.716 -0.845 1.00 0.00 N ATOM 0 H ASN A 25 -6.939 -2.228 -1.620 1.00 0.00 H new ATOM 0 HA ASN A 25 -8.956 -1.104 0.099 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -7.414 -3.620 -0.162 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -7.682 -3.141 1.503 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -10.874 -4.053 -1.009 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -9.307 -3.529 -1.634 1.00 0.00 H new ATOM 369 N VAL A 26 -5.740 -0.867 0.725 1.00 0.00 N ATOM 370 CA VAL A 26 -4.736 -0.237 1.563 1.00 0.00 C ATOM 371 C VAL A 26 -4.844 1.283 1.428 1.00 0.00 C ATOM 372 O VAL A 26 -4.974 1.991 2.425 1.00 0.00 O ATOM 373 CB VAL A 26 -3.346 -0.771 1.207 1.00 0.00 C ATOM 374 CG1 VAL A 26 -2.254 0.016 1.936 1.00 0.00 C ATOM 375 CG2 VAL A 26 -3.241 -2.267 1.510 1.00 0.00 C ATOM 0 H VAL A 26 -5.374 -1.315 -0.115 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.906 -0.483 2.611 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.197 -0.635 0.136 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.276 -0.383 1.666 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.309 1.066 1.649 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.398 -0.074 3.013 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.244 -2.622 1.248 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.420 -2.437 2.572 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.984 -2.810 0.926 1.00 0.00 H new ATOM 385 N LYS A 27 -4.786 1.740 0.186 1.00 0.00 N ATOM 386 CA LYS A 27 -4.877 3.163 -0.093 1.00 0.00 C ATOM 387 C LYS A 27 -6.130 3.731 0.576 1.00 0.00 C ATOM 388 O LYS A 27 -6.080 4.791 1.199 1.00 0.00 O ATOM 389 CB LYS A 27 -4.813 3.419 -1.600 1.00 0.00 C ATOM 390 CG LYS A 27 -3.459 2.998 -2.172 1.00 0.00 C ATOM 391 CD LYS A 27 -3.611 2.441 -3.590 1.00 0.00 C ATOM 392 CE LYS A 27 -3.806 3.570 -4.603 1.00 0.00 C ATOM 393 NZ LYS A 27 -5.147 3.484 -5.223 1.00 0.00 N ATOM 0 H LYS A 27 -4.677 1.150 -0.639 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.023 3.690 0.332 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.610 2.868 -2.100 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.983 4.477 -1.800 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.784 3.853 -2.184 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.007 2.244 -1.528 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.727 1.860 -3.853 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.462 1.762 -3.629 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.689 4.534 -4.109 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.038 3.511 -5.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.263 4.258 -5.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.246 2.571 -5.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.876 3.563 -4.486 1.00 0.00 H new ATOM 403 N ALA A 28 -7.226 3.001 0.422 1.00 0.00 N ATOM 404 CA ALA A 28 -8.490 3.419 1.004 1.00 0.00 C ATOM 405 C ALA A 28 -8.279 3.761 2.480 1.00 0.00 C ATOM 406 O ALA A 28 -8.946 4.645 3.017 1.00 0.00 O ATOM 407 CB ALA A 28 -9.532 2.318 0.804 1.00 0.00 C ATOM 0 H ALA A 28 -7.264 2.124 -0.097 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.863 4.315 0.508 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.480 2.631 1.240 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.666 2.133 -0.262 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.193 1.403 1.291 1.00 0.00 H new ATOM 413 N LYS A 29 -7.351 3.043 3.095 1.00 0.00 N ATOM 414 CA LYS A 29 -7.044 3.260 4.498 1.00 0.00 C ATOM 415 C LYS A 29 -6.187 4.520 4.641 1.00 0.00 C ATOM 416 O LYS A 29 -6.254 5.209 5.656 1.00 0.00 O ATOM 417 CB LYS A 29 -6.407 2.009 5.107 1.00 0.00 C ATOM 418 CG LYS A 29 -7.460 0.936 5.384 1.00 0.00 C ATOM 419 CD LYS A 29 -6.838 -0.277 6.080 1.00 0.00 C ATOM 420 CE LYS A 29 -7.726 -0.767 7.225 1.00 0.00 C ATOM 421 NZ LYS A 29 -6.925 -0.962 8.454 1.00 0.00 N ATOM 0 H LYS A 29 -6.801 2.310 2.647 1.00 0.00 H new ATOM 0 HA LYS A 29 -7.959 3.432 5.065 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -5.651 1.615 4.428 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -5.897 2.271 6.034 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.252 1.351 6.008 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.922 0.625 4.447 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.693 -1.081 5.358 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.853 -0.014 6.466 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.520 -0.044 7.412 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.207 -1.704 6.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.543 -1.295 9.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -6.183 -1.668 8.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -6.486 -0.060 8.729 1.00 0.00 H new ATOM 431 N ILE A 30 -5.400 4.780 3.607 1.00 0.00 N ATOM 432 CA ILE A 30 -4.530 5.944 3.604 1.00 0.00 C ATOM 433 C ILE A 30 -5.377 7.208 3.449 1.00 0.00 C ATOM 434 O ILE A 30 -4.969 8.288 3.873 1.00 0.00 O ATOM 435 CB ILE A 30 -3.443 5.798 2.536 1.00 0.00 C ATOM 436 CG1 ILE A 30 -2.827 4.399 2.570 1.00 0.00 C ATOM 437 CG2 ILE A 30 -2.386 6.894 2.677 1.00 0.00 C ATOM 438 CD1 ILE A 30 -2.215 4.101 3.940 1.00 0.00 C ATOM 0 H ILE A 30 -5.347 4.205 2.766 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.002 6.027 4.554 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.906 5.922 1.557 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.591 3.656 2.340 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.060 4.317 1.800 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -1.626 6.767 1.906 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.857 7.870 2.565 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.921 6.826 3.660 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.784 3.100 3.936 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.435 4.831 4.157 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.989 4.160 4.705 1.00 0.00 H new ATOM 449 N GLN A 31 -6.542 7.032 2.843 1.00 0.00 N ATOM 450 CA GLN A 31 -7.451 8.145 2.628 1.00 0.00 C ATOM 451 C GLN A 31 -7.862 8.760 3.967 1.00 0.00 C ATOM 452 O GLN A 31 -7.787 9.975 4.145 1.00 0.00 O ATOM 453 CB GLN A 31 -8.677 7.704 1.826 1.00 0.00 C ATOM 454 CG GLN A 31 -8.470 7.946 0.330 1.00 0.00 C ATOM 455 CD GLN A 31 -7.576 6.865 -0.281 1.00 0.00 C ATOM 456 OE1 GLN A 31 -6.275 7.087 -0.129 1.00 0.00 O flip ATOM 457 NE2 GLN A 31 -8.040 5.892 -0.854 1.00 0.00 N flip ATOM 0 H GLN A 31 -6.878 6.134 2.494 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.932 8.906 2.045 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.871 6.646 2.003 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -9.556 8.251 2.168 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.435 7.955 -0.178 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -8.019 8.926 0.175 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -9.051 5.782 -0.936 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -7.417 5.189 -1.251 1.00 0.00 H new ATOM 464 N ASP A 32 -8.290 7.893 4.874 1.00 0.00 N ATOM 465 CA ASP A 32 -8.713 8.336 6.191 1.00 0.00 C ATOM 466 C ASP A 32 -7.487 8.484 7.094 1.00 0.00 C ATOM 467 O ASP A 32 -7.273 9.540 7.687 1.00 0.00 O ATOM 468 CB ASP A 32 -9.656 7.319 6.837 1.00 0.00 C ATOM 469 CG ASP A 32 -10.864 7.922 7.557 1.00 0.00 C ATOM 470 OD1 ASP A 32 -10.654 8.457 8.667 1.00 0.00 O ATOM 471 OD2 ASP A 32 -11.969 7.835 6.981 1.00 0.00 O ATOM 0 H ASP A 32 -8.353 6.886 4.722 1.00 0.00 H new ATOM 0 HA ASP A 32 -9.232 9.287 6.076 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -10.015 6.638 6.065 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.088 6.722 7.550 1.00 0.00 H new ATOM 475 N LYS A 33 -6.716 7.409 7.170 1.00 0.00 N ATOM 476 CA LYS A 33 -5.516 7.406 7.991 1.00 0.00 C ATOM 477 C LYS A 33 -4.858 8.786 7.930 1.00 0.00 C ATOM 478 O LYS A 33 -4.549 9.377 8.964 1.00 0.00 O ATOM 479 CB LYS A 33 -4.588 6.263 7.578 1.00 0.00 C ATOM 480 CG LYS A 33 -5.106 4.920 8.096 1.00 0.00 C ATOM 481 CD LYS A 33 -4.191 4.364 9.188 1.00 0.00 C ATOM 482 CE LYS A 33 -4.489 5.019 10.539 1.00 0.00 C ATOM 483 NZ LYS A 33 -4.024 4.155 11.648 1.00 0.00 N ATOM 0 H LYS A 33 -6.898 6.535 6.677 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.769 7.219 9.035 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.507 6.231 6.492 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.586 6.445 7.967 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.115 5.043 8.490 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.169 4.209 7.273 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.325 3.285 9.265 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.149 4.537 8.918 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.997 5.990 10.596 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.560 5.199 10.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.234 4.614 12.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.513 3.238 11.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.998 4.005 11.565 1.00 0.00 H new ATOM 493 N GLU A 34 -4.663 9.260 6.709 1.00 0.00 N ATOM 494 CA GLU A 34 -4.046 10.559 6.499 1.00 0.00 C ATOM 495 C GLU A 34 -5.121 11.642 6.377 1.00 0.00 C ATOM 496 O GLU A 34 -4.950 12.750 6.883 1.00 0.00 O ATOM 497 CB GLU A 34 -3.141 10.544 5.266 1.00 0.00 C ATOM 498 CG GLU A 34 -1.675 10.733 5.662 1.00 0.00 C ATOM 499 CD GLU A 34 -1.252 12.197 5.518 1.00 0.00 C ATOM 500 OE1 GLU A 34 -1.478 12.950 6.489 1.00 0.00 O ATOM 501 OE2 GLU A 34 -0.713 12.528 4.441 1.00 0.00 O ATOM 0 H GLU A 34 -4.921 8.768 5.854 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.422 10.788 7.363 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.259 9.600 4.735 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.441 11.336 4.580 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.528 10.408 6.692 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.042 10.105 5.036 1.00 0.00 H new ATOM 506 N GLY A 35 -6.202 11.284 5.701 1.00 0.00 N ATOM 507 CA GLY A 35 -7.304 12.211 5.506 1.00 0.00 C ATOM 508 C GLY A 35 -7.215 12.888 4.137 1.00 0.00 C ATOM 509 O GLY A 35 -7.781 13.960 3.933 1.00 0.00 O ATOM 0 H GLY A 35 -6.339 10.365 5.281 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -8.251 11.679 5.592 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.291 12.967 6.291 1.00 0.00 H new ATOM 513 N ILE A 36 -6.501 12.232 3.234 1.00 0.00 N ATOM 514 CA ILE A 36 -6.332 12.757 1.890 1.00 0.00 C ATOM 515 C ILE A 36 -7.196 11.950 0.919 1.00 0.00 C ATOM 516 O ILE A 36 -7.443 10.765 1.140 1.00 0.00 O ATOM 517 CB ILE A 36 -4.849 12.790 1.512 1.00 0.00 C ATOM 518 CG1 ILE A 36 -4.206 14.113 1.934 1.00 0.00 C ATOM 519 CG2 ILE A 36 -4.657 12.511 0.019 1.00 0.00 C ATOM 520 CD1 ILE A 36 -3.124 13.882 2.991 1.00 0.00 C ATOM 0 H ILE A 36 -6.033 11.342 3.407 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.675 13.790 1.838 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.340 11.995 2.057 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.771 14.604 1.064 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.969 14.783 2.330 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.595 12.540 -0.223 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.057 11.526 -0.221 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.183 13.268 -0.563 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.682 14.837 3.274 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.568 13.413 3.869 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.350 13.231 2.584 1.00 0.00 H new ATOM 531 N PRO A 37 -7.644 12.641 -0.163 1.00 0.00 N ATOM 532 CA PRO A 37 -8.475 12.002 -1.168 1.00 0.00 C ATOM 533 C PRO A 37 -7.644 11.077 -2.060 1.00 0.00 C ATOM 534 O PRO A 37 -6.462 11.328 -2.290 1.00 0.00 O ATOM 535 CB PRO A 37 -9.117 13.147 -1.935 1.00 0.00 C ATOM 536 CG PRO A 37 -8.268 14.373 -1.640 1.00 0.00 C ATOM 537 CD PRO A 37 -7.371 14.045 -0.457 1.00 0.00 C ATOM 0 HA PRO A 37 -9.237 11.355 -0.733 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.141 12.936 -3.004 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -10.148 13.300 -1.617 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -7.669 14.641 -2.510 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -8.901 15.230 -1.413 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -6.320 14.201 -0.701 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -7.597 14.680 0.399 1.00 0.00 H new ATOM 542 N PRO A 38 -8.311 9.999 -2.551 1.00 0.00 N ATOM 543 CA PRO A 38 -7.648 9.035 -3.412 1.00 0.00 C ATOM 544 C PRO A 38 -7.455 9.601 -4.821 1.00 0.00 C ATOM 545 O PRO A 38 -6.925 8.921 -5.699 1.00 0.00 O ATOM 546 CB PRO A 38 -8.537 7.803 -3.383 1.00 0.00 C ATOM 547 CG PRO A 38 -9.892 8.278 -2.887 1.00 0.00 C ATOM 548 CD PRO A 38 -9.712 9.669 -2.300 1.00 0.00 C ATOM 0 HA PRO A 38 -6.642 8.790 -3.073 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -8.618 7.357 -4.374 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -8.125 7.040 -2.723 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -10.612 8.299 -3.705 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -10.284 7.594 -2.135 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -10.379 10.388 -2.774 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -9.937 9.681 -1.233 1.00 0.00 H new ATOM 553 N ASP A 39 -7.895 10.839 -4.992 1.00 0.00 N ATOM 554 CA ASP A 39 -7.777 11.503 -6.280 1.00 0.00 C ATOM 555 C ASP A 39 -6.299 11.765 -6.579 1.00 0.00 C ATOM 556 O ASP A 39 -5.894 11.791 -7.740 1.00 0.00 O ATOM 557 CB ASP A 39 -8.505 12.848 -6.274 1.00 0.00 C ATOM 558 CG ASP A 39 -9.506 13.047 -7.413 1.00 0.00 C ATOM 559 OD1 ASP A 39 -9.589 12.133 -8.262 1.00 0.00 O ATOM 560 OD2 ASP A 39 -10.165 14.109 -7.411 1.00 0.00 O ATOM 0 H ASP A 39 -8.333 11.400 -4.261 1.00 0.00 H new ATOM 0 HA ASP A 39 -8.222 10.856 -7.036 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -9.031 12.955 -5.325 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.763 13.646 -6.319 1.00 0.00 H new ATOM 564 N GLN A 40 -5.536 11.955 -5.513 1.00 0.00 N ATOM 565 CA GLN A 40 -4.113 12.216 -5.648 1.00 0.00 C ATOM 566 C GLN A 40 -3.311 11.243 -4.781 1.00 0.00 C ATOM 567 O GLN A 40 -2.327 11.632 -4.154 1.00 0.00 O ATOM 568 CB GLN A 40 -3.785 13.667 -5.292 1.00 0.00 C ATOM 569 CG GLN A 40 -4.834 14.623 -5.864 1.00 0.00 C ATOM 570 CD GLN A 40 -5.288 15.635 -4.810 1.00 0.00 C ATOM 571 OE1 GLN A 40 -5.794 15.081 -3.711 1.00 0.00 O flip ATOM 572 NE2 GLN A 40 -5.186 16.837 -4.983 1.00 0.00 N flip ATOM 0 H GLN A 40 -5.876 11.933 -4.552 1.00 0.00 H new ATOM 0 HA GLN A 40 -3.832 12.061 -6.690 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -3.739 13.778 -4.209 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -2.800 13.927 -5.681 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -4.420 15.150 -6.724 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -5.693 14.055 -6.221 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -4.788 17.195 -5.851 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -5.499 17.485 -4.260 1.00 0.00 H new ATOM 579 N GLN A 41 -3.763 9.998 -4.772 1.00 0.00 N ATOM 580 CA GLN A 41 -3.100 8.967 -3.992 1.00 0.00 C ATOM 581 C GLN A 41 -2.498 7.906 -4.915 1.00 0.00 C ATOM 582 O GLN A 41 -3.070 7.590 -5.959 1.00 0.00 O ATOM 583 CB GLN A 41 -4.065 8.335 -2.987 1.00 0.00 C ATOM 584 CG GLN A 41 -4.327 9.277 -1.810 1.00 0.00 C ATOM 585 CD GLN A 41 -3.909 8.633 -0.487 1.00 0.00 C ATOM 586 OE1 GLN A 41 -2.992 7.831 -0.419 1.00 0.00 O ATOM 587 NE2 GLN A 41 -4.630 9.028 0.559 1.00 0.00 N ATOM 0 H GLN A 41 -4.580 9.680 -5.292 1.00 0.00 H new ATOM 0 HA GLN A 41 -2.291 9.430 -3.428 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.006 8.096 -3.482 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -3.650 7.396 -2.620 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -3.778 10.207 -1.955 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.386 9.534 -1.775 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.384 9.703 0.433 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.428 8.656 1.487 1.00 0.00 H new ATOM 594 N ARG A 42 -1.352 7.386 -4.500 1.00 0.00 N ATOM 595 CA ARG A 42 -0.668 6.367 -5.277 1.00 0.00 C ATOM 596 C ARG A 42 0.308 5.590 -4.391 1.00 0.00 C ATOM 597 O ARG A 42 1.349 6.116 -3.998 1.00 0.00 O ATOM 598 CB ARG A 42 0.100 6.990 -6.445 1.00 0.00 C ATOM 599 CG ARG A 42 0.069 6.075 -7.672 1.00 0.00 C ATOM 600 CD ARG A 42 1.481 5.829 -8.208 1.00 0.00 C ATOM 601 NE ARG A 42 2.150 7.120 -8.481 1.00 0.00 N ATOM 602 CZ ARG A 42 1.825 7.936 -9.494 1.00 0.00 C ATOM 603 NH1 ARG A 42 0.838 7.599 -10.335 1.00 0.00 N ATOM 604 NH2 ARG A 42 2.487 9.089 -9.666 1.00 0.00 N ATOM 0 H ARG A 42 -0.880 7.652 -3.636 1.00 0.00 H new ATOM 0 HA ARG A 42 -1.423 5.688 -5.673 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -0.336 7.957 -6.697 1.00 0.00 H new ATOM 0 HB3 ARG A 42 1.133 7.173 -6.149 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -0.395 5.124 -7.410 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -0.546 6.526 -8.451 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.059 5.256 -7.483 1.00 0.00 H new ATOM 0 HD3 ARG A 42 1.434 5.234 -9.120 1.00 0.00 H new ATOM 0 HE ARG A 42 2.906 7.407 -7.859 1.00 0.00 H new ATOM 0 HH11 ARG A 42 0.334 6.722 -10.205 1.00 0.00 H new ATOM 0 HH12 ARG A 42 0.591 8.220 -11.106 1.00 0.00 H new ATOM 0 HH21 ARG A 42 3.239 9.346 -9.026 1.00 0.00 H new ATOM 0 HH22 ARG A 42 2.239 9.709 -10.437 1.00 0.00 H new ATOM 615 N LEU A 43 -0.061 4.351 -4.103 1.00 0.00 N ATOM 616 CA LEU A 43 0.768 3.497 -3.272 1.00 0.00 C ATOM 617 C LEU A 43 1.905 2.919 -4.116 1.00 0.00 C ATOM 618 O LEU A 43 1.667 2.362 -5.186 1.00 0.00 O ATOM 619 CB LEU A 43 -0.085 2.433 -2.578 1.00 0.00 C ATOM 620 CG LEU A 43 0.309 2.088 -1.141 1.00 0.00 C ATOM 621 CD1 LEU A 43 0.564 3.356 -0.323 1.00 0.00 C ATOM 622 CD2 LEU A 43 -0.737 1.184 -0.486 1.00 0.00 C ATOM 0 H LEU A 43 -0.924 3.918 -4.431 1.00 0.00 H new ATOM 0 HA LEU A 43 1.228 4.076 -2.471 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.122 2.770 -2.578 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.047 1.521 -3.173 1.00 0.00 H new ATOM 0 HG LEU A 43 1.244 1.529 -1.169 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.842 3.083 0.695 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.373 3.927 -0.779 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.341 3.963 -0.301 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.432 0.954 0.535 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.700 1.694 -0.471 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.826 0.259 -1.055 1.00 0.00 H new ATOM 633 N ILE A 44 3.117 3.071 -3.602 1.00 0.00 N ATOM 634 CA ILE A 44 4.292 2.570 -4.295 1.00 0.00 C ATOM 635 C ILE A 44 5.144 1.753 -3.322 1.00 0.00 C ATOM 636 O ILE A 44 5.610 2.274 -2.310 1.00 0.00 O ATOM 637 CB ILE A 44 5.051 3.721 -4.961 1.00 0.00 C ATOM 638 CG1 ILE A 44 4.505 3.999 -6.363 1.00 0.00 C ATOM 639 CG2 ILE A 44 6.557 3.447 -4.976 1.00 0.00 C ATOM 640 CD1 ILE A 44 5.570 4.652 -7.246 1.00 0.00 C ATOM 0 H ILE A 44 3.311 3.534 -2.714 1.00 0.00 H new ATOM 0 HA ILE A 44 4.001 1.899 -5.103 1.00 0.00 H new ATOM 0 HB ILE A 44 4.893 4.623 -4.370 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.171 3.067 -6.819 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.634 4.651 -6.295 1.00 0.00 H new ATOM 0 HG21 ILE A 44 7.073 4.279 -5.454 1.00 0.00 H new ATOM 0 HG22 ILE A 44 6.917 3.336 -3.953 1.00 0.00 H new ATOM 0 HG23 ILE A 44 6.754 2.530 -5.531 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.156 4.839 -8.237 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.884 5.596 -6.800 1.00 0.00 H new ATOM 0 HD13 ILE A 44 6.430 3.987 -7.331 1.00 0.00 H new ATOM 651 N PHE A 45 5.322 0.485 -3.663 1.00 0.00 N ATOM 652 CA PHE A 45 6.109 -0.410 -2.832 1.00 0.00 C ATOM 653 C PHE A 45 7.460 -0.716 -3.484 1.00 0.00 C ATOM 654 O PHE A 45 7.540 -0.902 -4.697 1.00 0.00 O ATOM 655 CB PHE A 45 5.315 -1.710 -2.697 1.00 0.00 C ATOM 656 CG PHE A 45 5.813 -2.630 -1.580 1.00 0.00 C ATOM 657 CD1 PHE A 45 6.303 -2.098 -0.428 1.00 0.00 C ATOM 658 CD2 PHE A 45 5.766 -3.980 -1.740 1.00 0.00 C ATOM 659 CE1 PHE A 45 6.764 -2.952 0.608 1.00 0.00 C ATOM 660 CE2 PHE A 45 6.228 -4.834 -0.704 1.00 0.00 C ATOM 661 CZ PHE A 45 6.717 -4.302 0.448 1.00 0.00 C ATOM 0 H PHE A 45 4.935 0.056 -4.504 1.00 0.00 H new ATOM 0 HA PHE A 45 6.299 0.052 -1.863 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.268 -1.467 -2.514 1.00 0.00 H new ATOM 0 HB3 PHE A 45 5.357 -2.249 -3.643 1.00 0.00 H new ATOM 0 HD1 PHE A 45 6.341 -1.026 -0.302 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.377 -4.402 -2.655 1.00 0.00 H new ATOM 0 HE1 PHE A 45 7.152 -2.530 1.523 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.191 -5.906 -0.831 1.00 0.00 H new ATOM 0 HZ PHE A 45 7.068 -4.952 1.236 1.00 0.00 H new ATOM 670 N ALA A 46 8.487 -0.759 -2.648 1.00 0.00 N ATOM 671 CA ALA A 46 9.830 -1.040 -3.127 1.00 0.00 C ATOM 672 C ALA A 46 10.043 -0.341 -4.471 1.00 0.00 C ATOM 673 O ALA A 46 10.445 -0.973 -5.447 1.00 0.00 O ATOM 674 CB ALA A 46 10.034 -2.554 -3.218 1.00 0.00 C ATOM 0 H ALA A 46 8.416 -0.604 -1.642 1.00 0.00 H new ATOM 0 HA ALA A 46 10.575 -0.653 -2.432 1.00 0.00 H new ATOM 0 HB1 ALA A 46 11.041 -2.764 -3.577 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.900 -2.999 -2.232 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.306 -2.978 -3.910 1.00 0.00 H new ATOM 680 N GLY A 47 9.767 0.955 -4.478 1.00 0.00 N ATOM 681 CA GLY A 47 9.923 1.746 -5.687 1.00 0.00 C ATOM 682 C GLY A 47 9.316 1.030 -6.895 1.00 0.00 C ATOM 683 O GLY A 47 9.967 0.886 -7.928 1.00 0.00 O ATOM 0 H GLY A 47 9.437 1.477 -3.666 1.00 0.00 H new ATOM 0 HA2 GLY A 47 9.443 2.716 -5.556 1.00 0.00 H new ATOM 0 HA3 GLY A 47 10.981 1.936 -5.867 1.00 0.00 H new ATOM 687 N LYS A 48 8.073 0.600 -6.725 1.00 0.00 N ATOM 688 CA LYS A 48 7.371 -0.097 -7.787 1.00 0.00 C ATOM 689 C LYS A 48 5.910 0.357 -7.810 1.00 0.00 C ATOM 690 O LYS A 48 5.356 0.732 -6.778 1.00 0.00 O ATOM 691 CB LYS A 48 7.542 -1.610 -7.640 1.00 0.00 C ATOM 692 CG LYS A 48 6.495 -2.191 -6.688 1.00 0.00 C ATOM 693 CD LYS A 48 5.492 -3.064 -7.442 1.00 0.00 C ATOM 694 CE LYS A 48 6.149 -4.358 -7.930 1.00 0.00 C ATOM 695 NZ LYS A 48 5.368 -4.947 -9.041 1.00 0.00 N ATOM 0 H LYS A 48 7.535 0.722 -5.867 1.00 0.00 H new ATOM 0 HA LYS A 48 7.800 0.156 -8.757 1.00 0.00 H new ATOM 0 HB2 LYS A 48 7.454 -2.086 -8.617 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.541 -1.832 -7.266 1.00 0.00 H new ATOM 0 HG2 LYS A 48 6.988 -2.782 -5.916 1.00 0.00 H new ATOM 0 HG3 LYS A 48 5.969 -1.381 -6.182 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.651 -3.302 -6.791 1.00 0.00 H new ATOM 0 HD3 LYS A 48 5.091 -2.512 -8.292 1.00 0.00 H new ATOM 0 HE2 LYS A 48 7.167 -4.154 -8.261 1.00 0.00 H new ATOM 0 HE3 LYS A 48 6.218 -5.071 -7.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.894 -5.745 -9.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.452 -5.284 -8.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.208 -4.226 -9.773 1.00 0.00 H new ATOM 705 N GLN A 49 5.326 0.307 -8.999 1.00 0.00 N ATOM 706 CA GLN A 49 3.941 0.709 -9.170 1.00 0.00 C ATOM 707 C GLN A 49 3.003 -0.404 -8.693 1.00 0.00 C ATOM 708 O GLN A 49 3.204 -1.572 -9.021 1.00 0.00 O ATOM 709 CB GLN A 49 3.653 1.081 -10.626 1.00 0.00 C ATOM 710 CG GLN A 49 2.611 2.198 -10.710 1.00 0.00 C ATOM 711 CD GLN A 49 2.875 3.103 -11.915 1.00 0.00 C ATOM 712 OE1 GLN A 49 3.441 2.699 -12.917 1.00 0.00 O ATOM 713 NE2 GLN A 49 2.434 4.349 -11.761 1.00 0.00 N ATOM 0 H GLN A 49 5.788 -0.006 -9.853 1.00 0.00 H new ATOM 0 HA GLN A 49 3.763 1.595 -8.561 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.574 1.401 -11.113 1.00 0.00 H new ATOM 0 HB3 GLN A 49 3.296 0.204 -11.165 1.00 0.00 H new ATOM 0 HG2 GLN A 49 1.614 1.765 -10.787 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.632 2.789 -9.795 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.968 4.622 -10.896 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.562 5.031 -12.508 1.00 0.00 H new ATOM 720 N LEU A 50 2.001 -0.001 -7.926 1.00 0.00 N ATOM 721 CA LEU A 50 1.032 -0.947 -7.401 1.00 0.00 C ATOM 722 C LEU A 50 -0.258 -0.857 -8.218 1.00 0.00 C ATOM 723 O LEU A 50 -0.476 0.118 -8.936 1.00 0.00 O ATOM 724 CB LEU A 50 0.827 -0.728 -5.901 1.00 0.00 C ATOM 725 CG LEU A 50 1.589 -1.677 -4.974 1.00 0.00 C ATOM 726 CD1 LEU A 50 2.907 -2.123 -5.609 1.00 0.00 C ATOM 727 CD2 LEU A 50 1.801 -1.046 -3.597 1.00 0.00 C ATOM 0 H LEU A 50 1.839 0.969 -7.655 1.00 0.00 H new ATOM 0 HA LEU A 50 1.403 -1.967 -7.503 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.118 0.294 -5.660 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.237 -0.816 -5.683 1.00 0.00 H new ATOM 0 HG LEU A 50 0.983 -2.571 -4.828 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.429 -2.797 -4.929 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.703 -2.640 -6.547 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.530 -1.250 -5.804 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.345 -1.742 -2.958 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.375 -0.126 -3.703 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.834 -0.820 -3.147 1.00 0.00 H new ATOM 738 N GLU A 51 -1.082 -1.886 -8.082 1.00 0.00 N ATOM 739 CA GLU A 51 -2.344 -1.934 -8.798 1.00 0.00 C ATOM 740 C GLU A 51 -3.468 -2.387 -7.863 1.00 0.00 C ATOM 741 O GLU A 51 -3.231 -3.143 -6.921 1.00 0.00 O ATOM 742 CB GLU A 51 -2.247 -2.849 -10.020 1.00 0.00 C ATOM 743 CG GLU A 51 -1.856 -2.056 -11.269 1.00 0.00 C ATOM 744 CD GLU A 51 -2.323 -2.769 -12.539 1.00 0.00 C ATOM 745 OE1 GLU A 51 -3.554 -2.950 -12.668 1.00 0.00 O ATOM 746 OE2 GLU A 51 -1.440 -3.117 -13.353 1.00 0.00 O ATOM 0 H GLU A 51 -0.899 -2.693 -7.486 1.00 0.00 H new ATOM 0 HA GLU A 51 -2.575 -0.930 -9.154 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.510 -3.631 -9.836 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.204 -3.345 -10.184 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.296 -1.060 -11.224 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.774 -1.926 -11.298 1.00 0.00 H new ATOM 751 N ASP A 52 -4.667 -1.905 -8.154 1.00 0.00 N ATOM 752 CA ASP A 52 -5.828 -2.251 -7.351 1.00 0.00 C ATOM 753 C ASP A 52 -6.300 -3.657 -7.723 1.00 0.00 C ATOM 754 O ASP A 52 -7.152 -4.230 -7.046 1.00 0.00 O ATOM 755 CB ASP A 52 -6.983 -1.281 -7.608 1.00 0.00 C ATOM 756 CG ASP A 52 -7.354 -1.092 -9.080 1.00 0.00 C ATOM 757 OD1 ASP A 52 -6.474 -0.619 -9.831 1.00 0.00 O ATOM 758 OD2 ASP A 52 -8.510 -1.425 -9.421 1.00 0.00 O ATOM 0 H ASP A 52 -4.860 -1.278 -8.935 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.540 -2.199 -6.301 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.862 -1.636 -7.070 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.722 -0.310 -7.187 1.00 0.00 H new ATOM 762 N GLY A 53 -5.725 -4.175 -8.800 1.00 0.00 N ATOM 763 CA GLY A 53 -6.077 -5.503 -9.271 1.00 0.00 C ATOM 764 C GLY A 53 -5.145 -6.561 -8.674 1.00 0.00 C ATOM 765 O GLY A 53 -5.490 -7.740 -8.623 1.00 0.00 O ATOM 0 H GLY A 53 -5.018 -3.698 -9.359 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -7.109 -5.727 -9.000 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -6.019 -5.534 -10.359 1.00 0.00 H new ATOM 769 N ARG A 54 -3.981 -6.099 -8.237 1.00 0.00 N ATOM 770 CA ARG A 54 -2.998 -6.990 -7.647 1.00 0.00 C ATOM 771 C ARG A 54 -3.339 -7.258 -6.179 1.00 0.00 C ATOM 772 O ARG A 54 -4.427 -6.917 -5.719 1.00 0.00 O ATOM 773 CB ARG A 54 -1.591 -6.395 -7.736 1.00 0.00 C ATOM 774 CG ARG A 54 -0.790 -7.048 -8.863 1.00 0.00 C ATOM 775 CD ARG A 54 -0.186 -8.379 -8.408 1.00 0.00 C ATOM 776 NE ARG A 54 -0.164 -9.337 -9.536 1.00 0.00 N ATOM 777 CZ ARG A 54 0.728 -10.330 -9.659 1.00 0.00 C ATOM 778 NH1 ARG A 54 1.673 -10.502 -8.726 1.00 0.00 N ATOM 779 NH2 ARG A 54 0.672 -11.152 -10.716 1.00 0.00 N ATOM 0 H ARG A 54 -3.698 -5.120 -8.280 1.00 0.00 H new ATOM 0 HA ARG A 54 -3.020 -7.925 -8.206 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -1.657 -5.321 -7.907 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.072 -6.535 -6.788 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.437 -7.214 -9.725 1.00 0.00 H new ATOM 0 HG3 ARG A 54 0.005 -6.376 -9.186 1.00 0.00 H new ATOM 0 HD2 ARG A 54 0.826 -8.220 -8.035 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.769 -8.789 -7.583 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.871 -9.235 -10.264 1.00 0.00 H new ATOM 0 HH11 ARG A 54 1.714 -9.877 -7.921 1.00 0.00 H new ATOM 0 HH12 ARG A 54 2.351 -11.258 -8.820 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.049 -11.022 -11.426 1.00 0.00 H new ATOM 0 HH22 ARG A 54 1.350 -11.908 -10.811 1.00 0.00 H new ATOM 790 N THR A 55 -2.388 -7.868 -5.486 1.00 0.00 N ATOM 791 CA THR A 55 -2.573 -8.186 -4.081 1.00 0.00 C ATOM 792 C THR A 55 -1.246 -8.069 -3.328 1.00 0.00 C ATOM 793 O THR A 55 -0.180 -8.052 -3.941 1.00 0.00 O ATOM 794 CB THR A 55 -3.204 -9.577 -3.990 1.00 0.00 C ATOM 795 OG1 THR A 55 -2.923 -10.169 -5.255 1.00 0.00 O ATOM 796 CG2 THR A 55 -4.732 -9.524 -3.934 1.00 0.00 C ATOM 0 H THR A 55 -1.487 -8.150 -5.872 1.00 0.00 H new ATOM 0 HA THR A 55 -3.246 -7.476 -3.600 1.00 0.00 H new ATOM 0 HB THR A 55 -2.826 -10.090 -3.106 1.00 0.00 H new ATOM 0 HG1 THR A 55 -2.640 -11.098 -5.126 1.00 0.00 H new ATOM 0 HG21 THR A 55 -5.129 -10.537 -3.870 1.00 0.00 H new ATOM 0 HG22 THR A 55 -5.044 -8.956 -3.058 1.00 0.00 H new ATOM 0 HG23 THR A 55 -5.113 -9.041 -4.834 1.00 0.00 H new ATOM 804 N LEU A 56 -1.355 -7.994 -2.010 1.00 0.00 N ATOM 805 CA LEU A 56 -0.176 -7.881 -1.167 1.00 0.00 C ATOM 806 C LEU A 56 0.661 -9.155 -1.294 1.00 0.00 C ATOM 807 O LEU A 56 1.842 -9.095 -1.630 1.00 0.00 O ATOM 808 CB LEU A 56 -0.577 -7.550 0.272 1.00 0.00 C ATOM 809 CG LEU A 56 -1.816 -6.668 0.437 1.00 0.00 C ATOM 810 CD1 LEU A 56 -1.947 -6.170 1.878 1.00 0.00 C ATOM 811 CD2 LEU A 56 -1.807 -5.515 -0.569 1.00 0.00 C ATOM 0 H LEU A 56 -2.241 -8.009 -1.505 1.00 0.00 H new ATOM 0 HA LEU A 56 0.451 -7.053 -1.498 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.748 -8.485 0.805 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.264 -7.055 0.758 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.697 -7.274 0.224 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.836 -5.545 1.968 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.033 -7.023 2.551 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.065 -5.586 2.143 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.699 -4.904 -0.430 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.919 -4.902 -0.412 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.797 -5.916 -1.582 1.00 0.00 H new ATOM 822 N SER A 57 0.016 -10.279 -1.019 1.00 0.00 N ATOM 823 CA SER A 57 0.686 -11.566 -1.099 1.00 0.00 C ATOM 824 C SER A 57 1.233 -11.785 -2.511 1.00 0.00 C ATOM 825 O SER A 57 2.096 -12.635 -2.721 1.00 0.00 O ATOM 826 CB SER A 57 -0.261 -12.704 -0.714 1.00 0.00 C ATOM 827 OG SER A 57 0.255 -13.978 -1.092 1.00 0.00 O ATOM 0 H SER A 57 -0.964 -10.325 -0.740 1.00 0.00 H new ATOM 0 HA SER A 57 1.515 -11.564 -0.392 1.00 0.00 H new ATOM 0 HB2 SER A 57 -0.431 -12.686 0.363 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.228 -12.548 -1.192 1.00 0.00 H new ATOM 0 HG SER A 57 -0.377 -14.679 -0.828 1.00 0.00 H new ATOM 832 N ASP A 58 0.708 -11.002 -3.442 1.00 0.00 N ATOM 833 CA ASP A 58 1.133 -11.100 -4.828 1.00 0.00 C ATOM 834 C ASP A 58 2.302 -10.141 -5.068 1.00 0.00 C ATOM 835 O ASP A 58 3.217 -10.451 -5.828 1.00 0.00 O ATOM 836 CB ASP A 58 0.001 -10.710 -5.781 1.00 0.00 C ATOM 837 CG ASP A 58 -0.668 -11.881 -6.503 1.00 0.00 C ATOM 838 OD1 ASP A 58 0.056 -12.571 -7.254 1.00 0.00 O ATOM 839 OD2 ASP A 58 -1.886 -12.060 -6.289 1.00 0.00 O ATOM 0 H ASP A 58 -0.008 -10.297 -3.264 1.00 0.00 H new ATOM 0 HA ASP A 58 1.425 -12.133 -5.018 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.759 -10.169 -5.217 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.396 -10.020 -6.527 1.00 0.00 H new ATOM 843 N TYR A 59 2.233 -8.997 -4.404 1.00 0.00 N ATOM 844 CA TYR A 59 3.273 -7.992 -4.534 1.00 0.00 C ATOM 845 C TYR A 59 4.429 -8.272 -3.572 1.00 0.00 C ATOM 846 O TYR A 59 5.295 -7.421 -3.373 1.00 0.00 O ATOM 847 CB TYR A 59 2.623 -6.659 -4.156 1.00 0.00 C ATOM 848 CG TYR A 59 1.976 -5.926 -5.334 1.00 0.00 C ATOM 849 CD1 TYR A 59 2.615 -5.890 -6.558 1.00 0.00 C ATOM 850 CD2 TYR A 59 0.756 -5.303 -5.172 1.00 0.00 C ATOM 851 CE1 TYR A 59 2.006 -5.200 -7.666 1.00 0.00 C ATOM 852 CE2 TYR A 59 0.148 -4.613 -6.281 1.00 0.00 C ATOM 853 CZ TYR A 59 0.803 -4.596 -7.473 1.00 0.00 C ATOM 854 OH TYR A 59 0.229 -3.945 -8.519 1.00 0.00 O ATOM 0 H TYR A 59 1.472 -8.744 -3.774 1.00 0.00 H new ATOM 0 HA TYR A 59 3.677 -7.988 -5.546 1.00 0.00 H new ATOM 0 HB2 TYR A 59 1.866 -6.839 -3.393 1.00 0.00 H new ATOM 0 HB3 TYR A 59 3.378 -6.012 -3.709 1.00 0.00 H new ATOM 0 HD1 TYR A 59 3.570 -6.379 -6.684 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.257 -5.332 -4.215 1.00 0.00 H new ATOM 0 HE1 TYR A 59 2.494 -5.163 -8.629 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -0.806 -4.120 -6.168 1.00 0.00 H new ATOM 0 HH TYR A 59 0.674 -4.208 -9.352 1.00 0.00 H new ATOM 863 N ASN A 60 4.406 -9.467 -3.001 1.00 0.00 N ATOM 864 CA ASN A 60 5.442 -9.869 -2.064 1.00 0.00 C ATOM 865 C ASN A 60 5.283 -9.079 -0.764 1.00 0.00 C ATOM 866 O ASN A 60 6.126 -9.166 0.126 1.00 0.00 O ATOM 867 CB ASN A 60 6.835 -9.580 -2.627 1.00 0.00 C ATOM 868 CG ASN A 60 7.918 -10.252 -1.780 1.00 0.00 C ATOM 869 OD1 ASN A 60 8.064 -11.463 -1.759 1.00 0.00 O ATOM 870 ND2 ASN A 60 8.667 -9.400 -1.085 1.00 0.00 N ATOM 0 H ASN A 60 3.686 -10.170 -3.169 1.00 0.00 H new ATOM 0 HA ASN A 60 5.340 -10.940 -1.887 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.897 -9.938 -3.655 1.00 0.00 H new ATOM 0 HB3 ASN A 60 7.005 -8.504 -2.654 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.417 -9.749 -0.489 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.491 -8.397 -1.148 1.00 0.00 H new ATOM 876 N ILE A 61 4.195 -8.325 -0.696 1.00 0.00 N ATOM 877 CA ILE A 61 3.915 -7.520 0.481 1.00 0.00 C ATOM 878 C ILE A 61 3.654 -8.442 1.673 1.00 0.00 C ATOM 879 O ILE A 61 2.919 -9.422 1.556 1.00 0.00 O ATOM 880 CB ILE A 61 2.775 -6.540 0.199 1.00 0.00 C ATOM 881 CG1 ILE A 61 3.212 -5.460 -0.793 1.00 0.00 C ATOM 882 CG2 ILE A 61 2.235 -5.939 1.499 1.00 0.00 C ATOM 883 CD1 ILE A 61 2.012 -4.643 -1.279 1.00 0.00 C ATOM 0 H ILE A 61 3.497 -8.255 -1.437 1.00 0.00 H new ATOM 0 HA ILE A 61 4.777 -6.905 0.737 1.00 0.00 H new ATOM 0 HB ILE A 61 1.958 -7.092 -0.266 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.939 -4.799 -0.320 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.710 -5.924 -1.645 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.425 -5.246 1.271 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.860 -6.737 2.140 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.035 -5.406 2.013 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.351 -3.883 -1.983 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.299 -5.303 -1.773 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.531 -4.161 -0.428 1.00 0.00 H new ATOM 894 N GLN A 62 4.268 -8.095 2.795 1.00 0.00 N ATOM 895 CA GLN A 62 4.112 -8.878 4.008 1.00 0.00 C ATOM 896 C GLN A 62 4.089 -7.962 5.232 1.00 0.00 C ATOM 897 O GLN A 62 3.795 -6.773 5.117 1.00 0.00 O ATOM 898 CB GLN A 62 5.218 -9.929 4.129 1.00 0.00 C ATOM 899 CG GLN A 62 6.562 -9.274 4.456 1.00 0.00 C ATOM 900 CD GLN A 62 7.635 -10.330 4.725 1.00 0.00 C ATOM 901 OE1 GLN A 62 7.362 -11.513 4.845 1.00 0.00 O ATOM 902 NE2 GLN A 62 8.868 -9.839 4.813 1.00 0.00 N ATOM 0 H GLN A 62 4.875 -7.281 2.889 1.00 0.00 H new ATOM 0 HA GLN A 62 3.160 -9.406 3.956 1.00 0.00 H new ATOM 0 HB2 GLN A 62 4.960 -10.646 4.908 1.00 0.00 H new ATOM 0 HB3 GLN A 62 5.298 -10.487 3.196 1.00 0.00 H new ATOM 0 HG2 GLN A 62 6.872 -8.638 3.627 1.00 0.00 H new ATOM 0 HG3 GLN A 62 6.454 -8.630 5.328 1.00 0.00 H new ATOM 0 HE21 GLN A 62 9.027 -8.838 4.703 1.00 0.00 H new ATOM 0 HE22 GLN A 62 9.654 -10.464 4.991 1.00 0.00 H new ATOM 909 N LYS A 63 4.402 -8.550 6.378 1.00 0.00 N ATOM 910 CA LYS A 63 4.421 -7.801 7.623 1.00 0.00 C ATOM 911 C LYS A 63 5.679 -6.930 7.670 1.00 0.00 C ATOM 912 O LYS A 63 6.772 -7.395 7.346 1.00 0.00 O ATOM 913 CB LYS A 63 4.282 -8.745 8.818 1.00 0.00 C ATOM 914 CG LYS A 63 5.590 -9.492 9.083 1.00 0.00 C ATOM 915 CD LYS A 63 5.333 -10.982 9.320 1.00 0.00 C ATOM 916 CE LYS A 63 6.587 -11.676 9.854 1.00 0.00 C ATOM 917 NZ LYS A 63 6.254 -12.522 11.022 1.00 0.00 N ATOM 0 H LYS A 63 4.644 -9.536 6.470 1.00 0.00 H new ATOM 0 HA LYS A 63 3.565 -7.129 7.676 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.998 -8.177 9.704 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.482 -9.461 8.629 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.263 -9.366 8.235 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.088 -9.063 9.952 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.515 -11.105 10.029 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.021 -11.454 8.388 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.033 -12.288 9.070 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.330 -10.930 10.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.117 -12.986 11.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.849 -11.930 11.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.562 -13.245 10.741 1.00 0.00 H new ATOM 927 N GLU A 64 5.483 -5.685 8.078 1.00 0.00 N ATOM 928 CA GLU A 64 6.588 -4.746 8.172 1.00 0.00 C ATOM 929 C GLU A 64 7.029 -4.304 6.775 1.00 0.00 C ATOM 930 O GLU A 64 8.222 -4.144 6.519 1.00 0.00 O ATOM 931 CB GLU A 64 7.758 -5.353 8.950 1.00 0.00 C ATOM 932 CG GLU A 64 7.274 -6.006 10.246 1.00 0.00 C ATOM 933 CD GLU A 64 8.329 -6.965 10.803 1.00 0.00 C ATOM 934 OE1 GLU A 64 8.295 -8.145 10.395 1.00 0.00 O ATOM 935 OE2 GLU A 64 9.144 -6.495 11.626 1.00 0.00 O ATOM 0 H GLU A 64 4.576 -5.305 8.347 1.00 0.00 H new ATOM 0 HA GLU A 64 6.247 -3.867 8.719 1.00 0.00 H new ATOM 0 HB2 GLU A 64 8.265 -6.094 8.332 1.00 0.00 H new ATOM 0 HB3 GLU A 64 8.488 -4.577 9.180 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.051 -5.236 10.984 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.347 -6.548 10.060 1.00 0.00 H new ATOM 940 N SER A 65 6.044 -4.119 5.909 1.00 0.00 N ATOM 941 CA SER A 65 6.316 -3.699 4.545 1.00 0.00 C ATOM 942 C SER A 65 6.086 -2.192 4.406 1.00 0.00 C ATOM 943 O SER A 65 4.945 -1.735 4.380 1.00 0.00 O ATOM 944 CB SER A 65 5.441 -4.462 3.548 1.00 0.00 C ATOM 945 OG SER A 65 5.539 -5.873 3.725 1.00 0.00 O ATOM 0 H SER A 65 5.056 -4.252 6.125 1.00 0.00 H new ATOM 0 HA SER A 65 7.358 -3.925 4.320 1.00 0.00 H new ATOM 0 HB2 SER A 65 4.402 -4.153 3.666 1.00 0.00 H new ATOM 0 HB3 SER A 65 5.738 -4.202 2.532 1.00 0.00 H new ATOM 0 HG SER A 65 5.278 -6.107 4.640 1.00 0.00 H new ATOM 950 N THR A 66 7.189 -1.464 4.321 1.00 0.00 N ATOM 951 CA THR A 66 7.123 -0.018 4.187 1.00 0.00 C ATOM 952 C THR A 66 6.955 0.373 2.717 1.00 0.00 C ATOM 953 O THR A 66 7.837 0.117 1.898 1.00 0.00 O ATOM 954 CB THR A 66 8.375 0.575 4.834 1.00 0.00 C ATOM 955 OG1 THR A 66 8.458 -0.081 6.095 1.00 0.00 O ATOM 956 CG2 THR A 66 8.204 2.053 5.194 1.00 0.00 C ATOM 0 H THR A 66 8.134 -1.848 4.342 1.00 0.00 H new ATOM 0 HA THR A 66 6.252 0.388 4.701 1.00 0.00 H new ATOM 0 HB THR A 66 9.222 0.461 4.157 1.00 0.00 H new ATOM 0 HG1 THR A 66 9.244 0.244 6.582 1.00 0.00 H new ATOM 0 HG21 THR A 66 9.121 2.425 5.650 1.00 0.00 H new ATOM 0 HG22 THR A 66 7.990 2.625 4.291 1.00 0.00 H new ATOM 0 HG23 THR A 66 7.379 2.163 5.897 1.00 0.00 H new ATOM 964 N LEU A 67 5.817 0.986 2.427 1.00 0.00 N ATOM 965 CA LEU A 67 5.522 1.416 1.070 1.00 0.00 C ATOM 966 C LEU A 67 5.833 2.907 0.932 1.00 0.00 C ATOM 967 O LEU A 67 6.496 3.488 1.790 1.00 0.00 O ATOM 968 CB LEU A 67 4.086 1.048 0.692 1.00 0.00 C ATOM 969 CG LEU A 67 3.733 -0.438 0.760 1.00 0.00 C ATOM 970 CD1 LEU A 67 2.992 -0.768 2.058 1.00 0.00 C ATOM 971 CD2 LEU A 67 2.944 -0.872 -0.477 1.00 0.00 C ATOM 0 H LEU A 67 5.088 1.195 3.109 1.00 0.00 H new ATOM 0 HA LEU A 67 6.159 0.892 0.357 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.408 1.592 1.349 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.897 1.400 -0.322 1.00 0.00 H new ATOM 0 HG LEU A 67 4.662 -1.009 0.766 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.753 -1.831 2.080 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.624 -0.520 2.911 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.071 -0.188 2.109 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.706 -1.933 -0.403 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.021 -0.296 -0.540 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.543 -0.696 -1.371 1.00 0.00 H new ATOM 982 N HIS A 68 5.338 3.484 -0.152 1.00 0.00 N ATOM 983 CA HIS A 68 5.554 4.897 -0.414 1.00 0.00 C ATOM 984 C HIS A 68 4.232 5.554 -0.814 1.00 0.00 C ATOM 985 O HIS A 68 3.484 5.007 -1.624 1.00 0.00 O ATOM 986 CB HIS A 68 6.655 5.095 -1.458 1.00 0.00 C ATOM 987 CG HIS A 68 8.054 4.933 -0.913 1.00 0.00 C ATOM 988 ND1 HIS A 68 8.614 3.929 -0.179 1.00 0.00 N flip ATOM 989 CD2 HIS A 68 9.048 5.877 -1.107 1.00 0.00 C flip ATOM 990 CE1 HIS A 68 9.882 4.242 0.060 1.00 0.00 C flip ATOM 991 NE2 HIS A 68 10.153 5.450 -0.513 1.00 0.00 N flip ATOM 0 H HIS A 68 4.787 2.999 -0.860 1.00 0.00 H new ATOM 0 HA HIS A 68 5.903 5.389 0.494 1.00 0.00 H new ATOM 0 HB2 HIS A 68 6.506 4.381 -2.268 1.00 0.00 H new ATOM 0 HB3 HIS A 68 6.557 6.091 -1.890 1.00 0.00 H new ATOM 0 HD2 HIS A 68 8.941 6.804 -1.650 1.00 0.00 H new ATOM 0 HE1 HIS A 68 10.584 3.639 0.617 1.00 0.00 H new ATOM 0 HE2 HIS A 68 11.048 5.938 -0.489 1.00 0.00 H new ATOM 998 N LEU A 69 3.983 6.716 -0.229 1.00 0.00 N ATOM 999 CA LEU A 69 2.764 7.453 -0.515 1.00 0.00 C ATOM 1000 C LEU A 69 3.120 8.770 -1.208 1.00 0.00 C ATOM 1001 O LEU A 69 3.581 9.709 -0.562 1.00 0.00 O ATOM 1002 CB LEU A 69 1.934 7.631 0.758 1.00 0.00 C ATOM 1003 CG LEU A 69 0.924 8.779 0.745 1.00 0.00 C ATOM 1004 CD1 LEU A 69 0.007 8.689 -0.478 1.00 0.00 C ATOM 1005 CD2 LEU A 69 0.132 8.829 2.053 1.00 0.00 C ATOM 0 H LEU A 69 4.605 7.166 0.442 1.00 0.00 H new ATOM 0 HA LEU A 69 2.132 6.892 -1.203 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.396 6.703 0.950 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.616 7.783 1.594 1.00 0.00 H new ATOM 0 HG LEU A 69 1.474 9.717 0.667 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.702 9.517 -0.463 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.606 8.741 -1.387 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.537 7.745 -0.456 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.579 9.655 2.017 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.407 7.891 2.188 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.817 8.977 2.888 1.00 0.00 H new ATOM 1016 N VAL A 70 2.891 8.796 -2.512 1.00 0.00 N ATOM 1017 CA VAL A 70 3.182 9.983 -3.299 1.00 0.00 C ATOM 1018 C VAL A 70 1.870 10.682 -3.663 1.00 0.00 C ATOM 1019 O VAL A 70 0.819 10.046 -3.724 1.00 0.00 O ATOM 1020 CB VAL A 70 4.018 9.607 -4.523 1.00 0.00 C ATOM 1021 CG1 VAL A 70 5.462 9.293 -4.127 1.00 0.00 C ATOM 1022 CG2 VAL A 70 3.390 8.433 -5.277 1.00 0.00 C ATOM 0 H VAL A 70 2.507 8.015 -3.044 1.00 0.00 H new ATOM 0 HA VAL A 70 3.777 10.689 -2.720 1.00 0.00 H new ATOM 0 HB VAL A 70 4.034 10.467 -5.193 1.00 0.00 H new ATOM 0 HG11 VAL A 70 6.034 9.029 -5.016 1.00 0.00 H new ATOM 0 HG12 VAL A 70 5.908 10.168 -3.655 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.474 8.458 -3.427 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.004 8.186 -6.143 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.329 7.568 -4.617 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.389 8.708 -5.609 1.00 0.00 H new