USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 624 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 22 THR OG1 : rot 147:sc= 1.23 USER MOD Set 1.2: A 25 ASN :FLIP amide:sc= 0.00238 F(o=0.36,f=1.2) USER MOD Set 2.1: A 7 THR OG1 : rot 125:sc= 1.46 USER MOD Set 2.2: A 9 THR OG1 : rot -93:sc= 1.16 USER MOD Set 3.1: A 6 LYS NZ :NH3+ 162:sc= 0.923 (180deg=-0.127) USER MOD Set 3.2: A 68 HIS : no HE2:sc= 0.783 K(o=1.7,f=-3.5) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 163:sc= 2.06 (180deg=1.5) USER MOD Single : A 2 GLN : amide:sc= 0.104 X(o=0.1,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -105:sc= 0.291 USER MOD Single : A 20 SER OG : rot -33:sc= 0.083 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -178:sc= 1.18 (180deg=1.18) USER MOD Single : A 31 GLN : amide:sc= 0.0768 X(o=0.077,f=0.11) USER MOD Single : A 33 LYS NZ :NH3+ 159:sc= 1.4 (180deg=0.518) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 ASN : amide:sc= -0.447 K(o=-0.45,f=-1.3) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -1.5! C(o=-1.5!,f=-1.7!) USER MOD Single : A 55 THR OG1 : rot -65:sc= 1.22 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 150:sc= 0.057 USER MOD Single : A 60 ASN : amide:sc= -0.189 X(o=-0.19,f=-0.15) USER MOD Single : A 62 GLN : amide:sc= -0.36 X(o=-0.36,f=-0.66) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -95:sc= 1.32 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0235 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.479 -2.008 3.901 1.00 0.00 N ATOM 2 CA MET A 1 -13.148 -2.452 2.531 1.00 0.00 C ATOM 3 C MET A 1 -11.904 -3.332 2.571 1.00 0.00 C ATOM 4 O MET A 1 -11.186 -3.336 3.569 1.00 0.00 O ATOM 5 CB MET A 1 -12.815 -1.257 1.618 1.00 0.00 C ATOM 6 CG MET A 1 -13.976 -0.345 1.224 1.00 0.00 C ATOM 7 SD MET A 1 -14.810 0.529 2.565 1.00 0.00 S ATOM 8 CE MET A 1 -15.980 1.564 1.647 1.00 0.00 C ATOM 0 H1 MET A 1 -14.129 -1.197 3.856 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.933 -2.788 4.418 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.608 -1.726 4.395 1.00 0.00 H new ATOM 0 HA MET A 1 -14.015 -2.987 2.144 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.060 -0.649 2.116 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.362 -1.643 0.705 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.603 0.395 0.516 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.717 -0.946 0.696 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.565 2.161 2.347 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.432 2.226 0.976 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.648 0.929 1.065 1.00 0.00 H new ATOM 18 N GLN A 2 -11.609 -4.070 1.501 1.00 0.00 N ATOM 19 CA GLN A 2 -10.414 -4.900 1.396 1.00 0.00 C ATOM 20 C GLN A 2 -9.769 -4.599 0.047 1.00 0.00 C ATOM 21 O GLN A 2 -10.468 -4.169 -0.871 1.00 0.00 O ATOM 22 CB GLN A 2 -10.694 -6.406 1.567 1.00 0.00 C ATOM 23 CG GLN A 2 -11.488 -7.039 0.415 1.00 0.00 C ATOM 24 CD GLN A 2 -11.544 -8.560 0.515 1.00 0.00 C ATOM 25 OE1 GLN A 2 -12.086 -9.129 1.458 1.00 0.00 O ATOM 26 NE2 GLN A 2 -10.968 -9.266 -0.441 1.00 0.00 N ATOM 0 H GLN A 2 -12.203 -4.107 0.673 1.00 0.00 H new ATOM 0 HA GLN A 2 -9.739 -4.654 2.216 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -9.744 -6.930 1.668 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -11.243 -6.558 2.497 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -12.502 -6.640 0.414 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -11.033 -6.756 -0.535 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -10.518 -8.792 -1.224 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -10.973 -10.285 -0.396 1.00 0.00 H new ATOM 35 N ILE A 3 -8.461 -4.799 -0.092 1.00 0.00 N ATOM 36 CA ILE A 3 -7.724 -4.585 -1.339 1.00 0.00 C ATOM 37 C ILE A 3 -6.632 -5.650 -1.421 1.00 0.00 C ATOM 38 O ILE A 3 -6.223 -6.206 -0.397 1.00 0.00 O ATOM 39 CB ILE A 3 -7.163 -3.147 -1.514 1.00 0.00 C ATOM 40 CG1 ILE A 3 -5.839 -2.839 -0.785 1.00 0.00 C ATOM 41 CG2 ILE A 3 -8.201 -2.056 -1.201 1.00 0.00 C ATOM 42 CD1 ILE A 3 -5.896 -2.986 0.731 1.00 0.00 C ATOM 0 H ILE A 3 -7.869 -5.121 0.674 1.00 0.00 H new ATOM 0 HA ILE A 3 -8.420 -4.685 -2.172 1.00 0.00 H new ATOM 0 HB ILE A 3 -6.924 -3.125 -2.577 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -5.065 -3.502 -1.172 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.536 -1.820 -1.026 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -7.750 -1.074 -1.341 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -9.054 -2.163 -1.871 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.536 -2.158 -0.169 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -4.921 -2.750 1.156 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -6.643 -2.303 1.135 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -6.165 -4.011 0.987 1.00 0.00 H new ATOM 54 N PHE A 4 -6.153 -5.920 -2.631 1.00 0.00 N ATOM 55 CA PHE A 4 -5.116 -6.904 -2.896 1.00 0.00 C ATOM 56 C PHE A 4 -3.782 -6.176 -3.000 1.00 0.00 C ATOM 57 O PHE A 4 -3.700 -5.053 -3.503 1.00 0.00 O ATOM 58 CB PHE A 4 -5.492 -7.723 -4.137 1.00 0.00 C ATOM 59 CG PHE A 4 -6.875 -8.336 -4.000 1.00 0.00 C ATOM 60 CD1 PHE A 4 -7.124 -9.249 -2.959 1.00 0.00 C ATOM 61 CD2 PHE A 4 -7.938 -7.909 -4.820 1.00 0.00 C ATOM 62 CE1 PHE A 4 -8.428 -9.715 -2.725 1.00 0.00 C ATOM 63 CE2 PHE A 4 -9.240 -8.382 -4.587 1.00 0.00 C ATOM 64 CZ PHE A 4 -9.488 -9.282 -3.539 1.00 0.00 C ATOM 0 H PHE A 4 -6.485 -5.448 -3.472 1.00 0.00 H new ATOM 0 HA PHE A 4 -5.020 -7.627 -2.086 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -5.462 -7.084 -5.019 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -4.756 -8.512 -4.290 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.310 -9.593 -2.338 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -7.752 -7.217 -5.628 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -8.616 -10.407 -1.918 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -10.053 -8.052 -5.217 1.00 0.00 H new ATOM 0 HZ PHE A 4 -10.491 -9.641 -3.359 1.00 0.00 H new ATOM 74 N VAL A 5 -2.719 -6.834 -2.560 1.00 0.00 N ATOM 75 CA VAL A 5 -1.367 -6.314 -2.524 1.00 0.00 C ATOM 76 C VAL A 5 -0.424 -7.364 -3.111 1.00 0.00 C ATOM 77 O VAL A 5 -0.157 -8.387 -2.481 1.00 0.00 O ATOM 78 CB VAL A 5 -1.060 -5.949 -1.049 1.00 0.00 C ATOM 79 CG1 VAL A 5 0.355 -5.415 -0.810 1.00 0.00 C ATOM 80 CG2 VAL A 5 -2.041 -4.878 -0.531 1.00 0.00 C ATOM 0 H VAL A 5 -2.783 -7.787 -2.203 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.236 -5.415 -3.126 1.00 0.00 H new ATOM 0 HB VAL A 5 -1.165 -6.892 -0.513 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.483 -5.185 0.248 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.084 -6.169 -1.109 1.00 0.00 H new ATOM 0 HG13 VAL A 5 0.507 -4.510 -1.399 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.805 -4.639 0.506 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -1.952 -3.978 -1.140 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -3.061 -5.258 -0.592 1.00 0.00 H new ATOM 90 N LYS A 6 0.039 -7.140 -4.344 1.00 0.00 N ATOM 91 CA LYS A 6 0.970 -8.020 -5.042 1.00 0.00 C ATOM 92 C LYS A 6 2.354 -7.692 -4.462 1.00 0.00 C ATOM 93 O LYS A 6 2.674 -6.508 -4.333 1.00 0.00 O ATOM 94 CB LYS A 6 0.912 -7.727 -6.554 1.00 0.00 C ATOM 95 CG LYS A 6 1.700 -8.739 -7.402 1.00 0.00 C ATOM 96 CD LYS A 6 0.891 -9.969 -7.844 1.00 0.00 C ATOM 97 CE LYS A 6 -0.167 -9.692 -8.927 1.00 0.00 C ATOM 98 NZ LYS A 6 0.398 -9.100 -10.158 1.00 0.00 N ATOM 0 H LYS A 6 -0.231 -6.324 -4.893 1.00 0.00 H new ATOM 0 HA LYS A 6 0.734 -9.076 -4.911 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -0.129 -7.726 -6.877 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.304 -6.727 -6.738 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.080 -8.232 -8.289 1.00 0.00 H new ATOM 0 HG3 LYS A 6 2.566 -9.075 -6.832 1.00 0.00 H new ATOM 0 HD2 LYS A 6 1.582 -10.726 -8.216 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.394 -10.392 -6.971 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -0.672 -10.625 -9.179 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.923 -9.019 -8.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -0.277 -9.216 -10.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 0.579 -8.087 -10.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.290 -9.579 -10.396 1.00 0.00 H new ATOM 112 N THR A 7 3.151 -8.686 -4.083 1.00 0.00 N ATOM 113 CA THR A 7 4.481 -8.524 -3.496 1.00 0.00 C ATOM 114 C THR A 7 5.601 -8.604 -4.545 1.00 0.00 C ATOM 115 O THR A 7 5.376 -9.089 -5.658 1.00 0.00 O ATOM 116 CB THR A 7 4.679 -9.632 -2.448 1.00 0.00 C ATOM 117 OG1 THR A 7 4.649 -10.870 -3.113 1.00 0.00 O ATOM 118 CG2 THR A 7 3.605 -9.660 -1.354 1.00 0.00 C ATOM 0 H THR A 7 2.880 -9.665 -4.179 1.00 0.00 H new ATOM 0 HA THR A 7 4.539 -7.534 -3.045 1.00 0.00 H new ATOM 0 HB THR A 7 5.630 -9.432 -1.955 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.471 -11.367 -2.917 1.00 0.00 H new ATOM 0 HG21 THR A 7 3.818 -10.470 -0.656 1.00 0.00 H new ATOM 0 HG22 THR A 7 3.605 -8.710 -0.819 1.00 0.00 H new ATOM 0 HG23 THR A 7 2.627 -9.820 -1.808 1.00 0.00 H new ATOM 126 N LEU A 8 6.829 -8.204 -4.174 1.00 0.00 N ATOM 127 CA LEU A 8 8.001 -8.266 -5.059 1.00 0.00 C ATOM 128 C LEU A 8 8.315 -9.725 -5.414 1.00 0.00 C ATOM 129 O LEU A 8 8.877 -9.988 -6.475 1.00 0.00 O ATOM 130 CB LEU A 8 9.252 -7.660 -4.387 1.00 0.00 C ATOM 131 CG LEU A 8 9.406 -6.135 -4.530 1.00 0.00 C ATOM 132 CD1 LEU A 8 10.607 -5.671 -3.701 1.00 0.00 C ATOM 133 CD2 LEU A 8 9.641 -5.705 -5.983 1.00 0.00 C ATOM 0 H LEU A 8 7.036 -7.828 -3.249 1.00 0.00 H new ATOM 0 HA LEU A 8 7.759 -7.693 -5.954 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.229 -7.908 -3.326 1.00 0.00 H new ATOM 0 HB3 LEU A 8 10.137 -8.138 -4.807 1.00 0.00 H new ATOM 0 HG LEU A 8 8.477 -5.683 -4.182 1.00 0.00 H new ATOM 0 HD11 LEU A 8 10.721 -4.591 -3.798 1.00 0.00 H new ATOM 0 HD12 LEU A 8 10.446 -5.926 -2.653 1.00 0.00 H new ATOM 0 HD13 LEU A 8 11.510 -6.165 -4.060 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.743 -4.621 -6.030 1.00 0.00 H new ATOM 0 HD22 LEU A 8 10.552 -6.172 -6.358 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.795 -6.017 -6.596 1.00 0.00 H new ATOM 145 N THR A 9 7.952 -10.665 -4.540 1.00 0.00 N ATOM 146 CA THR A 9 8.134 -12.106 -4.682 1.00 0.00 C ATOM 147 C THR A 9 7.123 -12.716 -5.667 1.00 0.00 C ATOM 148 O THR A 9 7.163 -13.917 -5.930 1.00 0.00 O ATOM 149 CB THR A 9 8.007 -12.736 -3.281 1.00 0.00 C ATOM 150 OG1 THR A 9 6.934 -12.143 -2.560 1.00 0.00 O ATOM 151 CG2 THR A 9 9.288 -12.508 -2.486 1.00 0.00 C ATOM 0 H THR A 9 7.495 -10.423 -3.661 1.00 0.00 H new ATOM 0 HA THR A 9 9.120 -12.313 -5.099 1.00 0.00 H new ATOM 0 HB THR A 9 7.823 -13.802 -3.412 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.275 -11.402 -2.017 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.188 -12.957 -1.498 1.00 0.00 H new ATOM 0 HG22 THR A 9 10.127 -12.966 -3.009 1.00 0.00 H new ATOM 0 HG23 THR A 9 9.466 -11.438 -2.382 1.00 0.00 H new ATOM 159 N GLY A 10 6.208 -11.905 -6.206 1.00 0.00 N ATOM 160 CA GLY A 10 5.190 -12.327 -7.157 1.00 0.00 C ATOM 161 C GLY A 10 4.084 -13.102 -6.457 1.00 0.00 C ATOM 162 O GLY A 10 3.583 -14.093 -6.991 1.00 0.00 O ATOM 0 H GLY A 10 6.158 -10.911 -5.983 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.769 -11.455 -7.656 1.00 0.00 H new ATOM 0 HA3 GLY A 10 5.643 -12.949 -7.929 1.00 0.00 H new ATOM 166 N LYS A 11 3.734 -12.696 -5.239 1.00 0.00 N ATOM 167 CA LYS A 11 2.701 -13.289 -4.396 1.00 0.00 C ATOM 168 C LYS A 11 1.596 -12.254 -4.211 1.00 0.00 C ATOM 169 O LYS A 11 1.783 -11.101 -4.597 1.00 0.00 O ATOM 170 CB LYS A 11 3.334 -13.617 -3.032 1.00 0.00 C ATOM 171 CG LYS A 11 2.699 -14.809 -2.312 1.00 0.00 C ATOM 172 CD LYS A 11 3.230 -14.936 -0.877 1.00 0.00 C ATOM 173 CE LYS A 11 2.629 -13.879 0.063 1.00 0.00 C ATOM 174 NZ LYS A 11 3.160 -14.023 1.434 1.00 0.00 N ATOM 0 H LYS A 11 4.189 -11.901 -4.790 1.00 0.00 H new ATOM 0 HA LYS A 11 2.291 -14.195 -4.843 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.395 -13.818 -3.176 1.00 0.00 H new ATOM 0 HB3 LYS A 11 3.261 -12.739 -2.390 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.616 -14.691 -2.293 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.910 -15.725 -2.863 1.00 0.00 H new ATOM 0 HD2 LYS A 11 3.002 -15.931 -0.494 1.00 0.00 H new ATOM 0 HD3 LYS A 11 4.316 -14.838 -0.884 1.00 0.00 H new ATOM 0 HE2 LYS A 11 2.854 -12.882 -0.315 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.543 -13.976 0.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 2.738 -13.297 2.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 2.923 -14.967 1.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 4.193 -13.906 1.420 1.00 0.00 H new ATOM 188 N THR A 12 0.474 -12.613 -3.590 1.00 0.00 N ATOM 189 CA THR A 12 -0.602 -11.666 -3.337 1.00 0.00 C ATOM 190 C THR A 12 -1.086 -11.845 -1.901 1.00 0.00 C ATOM 191 O THR A 12 -1.235 -12.967 -1.409 1.00 0.00 O ATOM 192 CB THR A 12 -1.757 -11.770 -4.355 1.00 0.00 C ATOM 193 OG1 THR A 12 -1.307 -11.926 -5.687 1.00 0.00 O ATOM 194 CG2 THR A 12 -2.592 -10.484 -4.330 1.00 0.00 C ATOM 0 H THR A 12 0.289 -13.558 -3.253 1.00 0.00 H new ATOM 0 HA THR A 12 -0.208 -10.658 -3.467 1.00 0.00 H new ATOM 0 HB THR A 12 -2.333 -12.648 -4.062 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.079 -11.988 -6.288 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.406 -10.564 -5.051 1.00 0.00 H new ATOM 0 HG22 THR A 12 -3.005 -10.338 -3.332 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.960 -9.635 -4.589 1.00 0.00 H new ATOM 202 N ILE A 13 -1.306 -10.725 -1.221 1.00 0.00 N ATOM 203 CA ILE A 13 -1.789 -10.596 0.148 1.00 0.00 C ATOM 204 C ILE A 13 -3.056 -9.727 0.045 1.00 0.00 C ATOM 205 O ILE A 13 -3.247 -9.035 -0.957 1.00 0.00 O ATOM 206 CB ILE A 13 -0.672 -9.974 1.036 1.00 0.00 C ATOM 207 CG1 ILE A 13 0.603 -10.853 1.004 1.00 0.00 C ATOM 208 CG2 ILE A 13 -1.126 -9.772 2.498 1.00 0.00 C ATOM 209 CD1 ILE A 13 1.825 -10.226 1.685 1.00 0.00 C ATOM 0 H ILE A 13 -1.138 -9.813 -1.646 1.00 0.00 H new ATOM 0 HA ILE A 13 -2.035 -11.547 0.621 1.00 0.00 H new ATOM 0 HB ILE A 13 -0.451 -8.992 0.618 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.384 -11.806 1.485 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.853 -11.070 -0.034 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -0.311 -9.336 3.075 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -1.986 -9.103 2.523 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.402 -10.734 2.930 1.00 0.00 H new ATOM 0 HD11 ILE A 13 2.671 -10.910 1.615 1.00 0.00 H new ATOM 0 HD12 ILE A 13 2.075 -9.287 1.191 1.00 0.00 H new ATOM 0 HD13 ILE A 13 1.599 -10.035 2.734 1.00 0.00 H new ATOM 221 N THR A 14 -3.922 -9.749 1.053 1.00 0.00 N ATOM 222 CA THR A 14 -5.150 -8.969 1.106 1.00 0.00 C ATOM 223 C THR A 14 -5.102 -8.198 2.422 1.00 0.00 C ATOM 224 O THR A 14 -4.623 -8.743 3.420 1.00 0.00 O ATOM 225 CB THR A 14 -6.366 -9.905 1.029 1.00 0.00 C ATOM 226 OG1 THR A 14 -6.263 -10.739 -0.109 1.00 0.00 O ATOM 227 CG2 THR A 14 -7.692 -9.148 0.921 1.00 0.00 C ATOM 0 H THR A 14 -3.783 -10.329 1.881 1.00 0.00 H new ATOM 0 HA THR A 14 -5.240 -8.278 0.268 1.00 0.00 H new ATOM 0 HB THR A 14 -6.364 -10.482 1.954 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.888 -10.431 -0.798 1.00 0.00 H new ATOM 0 HG21 THR A 14 -8.515 -9.861 0.870 1.00 0.00 H new ATOM 0 HG22 THR A 14 -7.819 -8.510 1.795 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.688 -8.534 0.021 1.00 0.00 H new ATOM 235 N LEU A 15 -5.533 -6.934 2.433 1.00 0.00 N ATOM 236 CA LEU A 15 -5.553 -6.110 3.641 1.00 0.00 C ATOM 237 C LEU A 15 -6.944 -5.518 3.791 1.00 0.00 C ATOM 238 O LEU A 15 -7.620 -5.311 2.782 1.00 0.00 O ATOM 239 CB LEU A 15 -4.563 -4.931 3.619 1.00 0.00 C ATOM 240 CG LEU A 15 -3.127 -5.198 3.154 1.00 0.00 C ATOM 241 CD1 LEU A 15 -2.398 -3.852 3.066 1.00 0.00 C ATOM 242 CD2 LEU A 15 -2.363 -6.123 4.103 1.00 0.00 C ATOM 0 H LEU A 15 -5.878 -6.454 1.602 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.266 -6.766 4.463 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.982 -4.157 2.977 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.515 -4.518 4.627 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.170 -5.698 2.186 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.372 -4.015 2.737 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.910 -3.207 2.352 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.393 -3.376 4.047 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.352 -6.278 3.725 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.315 -5.669 5.093 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.877 -7.082 4.168 1.00 0.00 H new ATOM 254 N GLU A 16 -7.330 -5.199 5.023 1.00 0.00 N ATOM 255 CA GLU A 16 -8.613 -4.600 5.364 1.00 0.00 C ATOM 256 C GLU A 16 -8.328 -3.127 5.662 1.00 0.00 C ATOM 257 O GLU A 16 -7.462 -2.832 6.489 1.00 0.00 O ATOM 258 CB GLU A 16 -9.227 -5.340 6.554 1.00 0.00 C ATOM 259 CG GLU A 16 -10.646 -4.831 6.828 1.00 0.00 C ATOM 260 CD GLU A 16 -11.344 -5.661 7.901 1.00 0.00 C ATOM 261 OE1 GLU A 16 -12.018 -6.651 7.556 1.00 0.00 O ATOM 262 OE2 GLU A 16 -11.292 -5.275 9.095 1.00 0.00 O ATOM 0 H GLU A 16 -6.737 -5.356 5.838 1.00 0.00 H new ATOM 0 HA GLU A 16 -9.341 -4.674 4.556 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.251 -6.411 6.351 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.606 -5.197 7.438 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.604 -3.789 7.144 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -11.228 -4.862 5.907 1.00 0.00 H new ATOM 269 N VAL A 17 -8.998 -2.201 4.978 1.00 0.00 N ATOM 270 CA VAL A 17 -8.824 -0.755 5.115 1.00 0.00 C ATOM 271 C VAL A 17 -10.163 -0.028 4.962 1.00 0.00 C ATOM 272 O VAL A 17 -11.135 -0.626 4.500 1.00 0.00 O ATOM 273 CB VAL A 17 -7.863 -0.274 3.997 1.00 0.00 C ATOM 274 CG1 VAL A 17 -6.481 -0.948 4.045 1.00 0.00 C ATOM 275 CG2 VAL A 17 -8.457 -0.465 2.577 1.00 0.00 C ATOM 0 H VAL A 17 -9.705 -2.447 4.285 1.00 0.00 H new ATOM 0 HA VAL A 17 -8.420 -0.535 6.103 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.736 0.790 4.196 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.861 -0.564 3.235 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -6.004 -0.732 5.001 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -6.598 -2.026 3.933 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.743 -0.112 1.833 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -8.664 -1.522 2.408 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -9.382 0.104 2.490 1.00 0.00 H new ATOM 285 N GLU A 18 -10.210 1.270 5.259 1.00 0.00 N ATOM 286 CA GLU A 18 -11.409 2.087 5.114 1.00 0.00 C ATOM 287 C GLU A 18 -11.042 3.376 4.366 1.00 0.00 C ATOM 288 O GLU A 18 -9.884 3.788 4.395 1.00 0.00 O ATOM 289 CB GLU A 18 -12.021 2.466 6.462 1.00 0.00 C ATOM 290 CG GLU A 18 -12.641 1.294 7.240 1.00 0.00 C ATOM 291 CD GLU A 18 -14.000 0.834 6.702 1.00 0.00 C ATOM 292 OE1 GLU A 18 -15.029 1.164 7.349 1.00 0.00 O ATOM 293 OE2 GLU A 18 -14.065 0.110 5.687 1.00 0.00 O ATOM 0 H GLU A 18 -9.405 1.788 5.611 1.00 0.00 H new ATOM 0 HA GLU A 18 -12.145 1.500 4.564 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.249 2.926 7.079 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.789 3.221 6.297 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -11.950 0.451 7.218 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -12.756 1.585 8.284 1.00 0.00 H new ATOM 300 N PRO A 19 -12.007 4.068 3.742 1.00 0.00 N ATOM 301 CA PRO A 19 -11.770 5.303 2.996 1.00 0.00 C ATOM 302 C PRO A 19 -11.109 6.414 3.824 1.00 0.00 C ATOM 303 O PRO A 19 -10.285 7.166 3.290 1.00 0.00 O ATOM 304 CB PRO A 19 -13.142 5.727 2.463 1.00 0.00 C ATOM 305 CG PRO A 19 -13.913 4.408 2.434 1.00 0.00 C ATOM 306 CD PRO A 19 -13.398 3.667 3.642 1.00 0.00 C ATOM 0 HA PRO A 19 -11.053 5.125 2.194 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.619 6.461 3.112 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -13.071 6.176 1.472 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -14.989 4.572 2.493 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -13.725 3.854 1.514 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -13.955 3.935 4.540 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -13.493 2.588 3.518 1.00 0.00 H new ATOM 314 N SER A 20 -11.462 6.535 5.106 1.00 0.00 N ATOM 315 CA SER A 20 -10.923 7.529 6.023 1.00 0.00 C ATOM 316 C SER A 20 -9.522 7.143 6.519 1.00 0.00 C ATOM 317 O SER A 20 -8.872 7.990 7.135 1.00 0.00 O ATOM 318 CB SER A 20 -11.903 7.706 7.198 1.00 0.00 C ATOM 319 OG SER A 20 -11.637 8.873 7.953 1.00 0.00 O ATOM 0 H SER A 20 -12.152 5.923 5.543 1.00 0.00 H new ATOM 0 HA SER A 20 -10.814 8.477 5.496 1.00 0.00 H new ATOM 0 HB2 SER A 20 -12.922 7.750 6.814 1.00 0.00 H new ATOM 0 HB3 SER A 20 -11.845 6.834 7.850 1.00 0.00 H new ATOM 0 HG SER A 20 -10.673 9.050 7.953 1.00 0.00 H new ATOM 325 N ASP A 21 -9.044 5.911 6.298 1.00 0.00 N ATOM 326 CA ASP A 21 -7.714 5.523 6.769 1.00 0.00 C ATOM 327 C ASP A 21 -6.623 6.155 5.915 1.00 0.00 C ATOM 328 O ASP A 21 -6.748 6.280 4.691 1.00 0.00 O ATOM 329 CB ASP A 21 -7.499 3.997 6.786 1.00 0.00 C ATOM 330 CG ASP A 21 -8.168 3.290 7.963 1.00 0.00 C ATOM 331 OD1 ASP A 21 -8.566 2.114 7.798 1.00 0.00 O ATOM 332 OD2 ASP A 21 -8.271 3.887 9.062 1.00 0.00 O ATOM 0 H ASP A 21 -9.552 5.178 5.803 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.652 5.888 7.794 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.882 3.576 5.857 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.429 3.791 6.812 1.00 0.00 H new ATOM 337 N THR A 22 -5.535 6.549 6.577 1.00 0.00 N ATOM 338 CA THR A 22 -4.376 7.143 5.935 1.00 0.00 C ATOM 339 C THR A 22 -3.442 6.026 5.475 1.00 0.00 C ATOM 340 O THR A 22 -3.479 4.926 6.040 1.00 0.00 O ATOM 341 CB THR A 22 -3.633 8.051 6.926 1.00 0.00 C ATOM 342 OG1 THR A 22 -3.347 7.349 8.120 1.00 0.00 O ATOM 343 CG2 THR A 22 -4.431 9.296 7.289 1.00 0.00 C ATOM 0 H THR A 22 -5.439 6.461 7.589 1.00 0.00 H new ATOM 0 HA THR A 22 -4.699 7.739 5.082 1.00 0.00 H new ATOM 0 HB THR A 22 -2.714 8.359 6.427 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.496 7.665 8.489 1.00 0.00 H new ATOM 0 HG21 THR A 22 -3.860 9.902 7.992 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.630 9.876 6.388 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.375 9.002 7.747 1.00 0.00 H new ATOM 351 N ILE A 23 -2.527 6.322 4.542 1.00 0.00 N ATOM 352 CA ILE A 23 -1.555 5.343 4.037 1.00 0.00 C ATOM 353 C ILE A 23 -0.746 4.739 5.188 1.00 0.00 C ATOM 354 O ILE A 23 -0.237 3.635 5.055 1.00 0.00 O ATOM 355 CB ILE A 23 -0.616 5.994 2.997 1.00 0.00 C ATOM 356 CG1 ILE A 23 -1.350 6.471 1.739 1.00 0.00 C ATOM 357 CG2 ILE A 23 0.561 5.108 2.568 1.00 0.00 C ATOM 358 CD1 ILE A 23 -2.264 5.435 1.077 1.00 0.00 C ATOM 0 H ILE A 23 -2.440 7.245 4.117 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.105 4.539 3.547 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.216 6.855 3.532 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -1.948 7.345 1.998 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -0.609 6.796 1.008 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.170 5.640 1.837 1.00 0.00 H new ATOM 0 HG22 ILE A 23 1.170 4.865 3.439 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.181 4.189 2.123 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.734 5.874 0.197 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.675 4.568 0.779 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.034 5.125 1.783 1.00 0.00 H new ATOM 370 N GLU A 24 -0.615 5.450 6.304 1.00 0.00 N ATOM 371 CA GLU A 24 0.095 5.046 7.506 1.00 0.00 C ATOM 372 C GLU A 24 -0.419 3.660 7.927 1.00 0.00 C ATOM 373 O GLU A 24 0.360 2.721 8.078 1.00 0.00 O ATOM 374 CB GLU A 24 -0.138 6.124 8.583 1.00 0.00 C ATOM 375 CG GLU A 24 0.190 7.552 8.090 1.00 0.00 C ATOM 376 CD GLU A 24 -0.263 8.639 9.063 1.00 0.00 C ATOM 377 OE1 GLU A 24 -1.483 8.734 9.339 1.00 0.00 O ATOM 378 OE2 GLU A 24 0.595 9.418 9.529 1.00 0.00 O ATOM 0 H GLU A 24 -1.027 6.378 6.395 1.00 0.00 H new ATOM 0 HA GLU A 24 1.170 4.963 7.345 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -1.178 6.087 8.907 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.475 5.897 9.455 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.265 7.638 7.933 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.287 7.715 7.124 1.00 0.00 H new ATOM 385 N ASN A 25 -1.747 3.518 8.012 1.00 0.00 N ATOM 386 CA ASN A 25 -2.444 2.285 8.394 1.00 0.00 C ATOM 387 C ASN A 25 -2.157 1.172 7.418 1.00 0.00 C ATOM 388 O ASN A 25 -1.834 0.049 7.777 1.00 0.00 O ATOM 389 CB ASN A 25 -3.975 2.453 8.347 1.00 0.00 C ATOM 390 CG ASN A 25 -4.418 3.326 9.476 1.00 0.00 C ATOM 391 OD1 ASN A 25 -4.179 4.610 9.339 1.00 0.00 O flip ATOM 392 ND2 ASN A 25 -4.873 2.834 10.505 1.00 0.00 N flip ATOM 0 H ASN A 25 -2.388 4.285 7.810 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.092 2.058 9.400 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -4.274 2.892 7.395 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.460 1.479 8.415 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -5.040 1.829 10.559 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -5.084 3.430 11.305 1.00 0.00 H new ATOM 399 N VAL A 26 -2.350 1.489 6.150 1.00 0.00 N ATOM 400 CA VAL A 26 -2.185 0.611 5.016 1.00 0.00 C ATOM 401 C VAL A 26 -0.759 0.047 5.008 1.00 0.00 C ATOM 402 O VAL A 26 -0.559 -1.158 4.856 1.00 0.00 O ATOM 403 CB VAL A 26 -2.606 1.421 3.774 1.00 0.00 C ATOM 404 CG1 VAL A 26 -2.709 0.501 2.556 1.00 0.00 C ATOM 405 CG2 VAL A 26 -3.956 2.152 4.010 1.00 0.00 C ATOM 0 H VAL A 26 -2.644 2.425 5.873 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.815 -0.278 5.046 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.842 2.176 3.588 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.007 1.083 1.684 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.741 0.036 2.368 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.452 -0.273 2.747 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.226 2.715 3.116 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.733 1.419 4.226 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.857 2.836 4.853 1.00 0.00 H new ATOM 415 N LYS A 27 0.231 0.915 5.212 1.00 0.00 N ATOM 416 CA LYS A 27 1.647 0.595 5.263 1.00 0.00 C ATOM 417 C LYS A 27 1.925 -0.256 6.506 1.00 0.00 C ATOM 418 O LYS A 27 2.732 -1.182 6.441 1.00 0.00 O ATOM 419 CB LYS A 27 2.410 1.924 5.239 1.00 0.00 C ATOM 420 CG LYS A 27 3.919 1.778 5.025 1.00 0.00 C ATOM 421 CD LYS A 27 4.578 3.139 4.761 1.00 0.00 C ATOM 422 CE LYS A 27 4.358 4.105 5.927 1.00 0.00 C ATOM 423 NZ LYS A 27 5.046 5.398 5.748 1.00 0.00 N ATOM 0 H LYS A 27 0.052 1.909 5.353 1.00 0.00 H new ATOM 0 HA LYS A 27 1.978 -0.000 4.412 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.001 2.551 4.446 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.237 2.447 6.180 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.370 1.317 5.904 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.106 1.111 4.183 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.647 3.001 4.598 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.170 3.571 3.847 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.289 4.283 6.046 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.708 3.639 6.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.859 6.008 6.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.070 5.237 5.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.695 5.862 4.886 1.00 0.00 H new ATOM 437 N ALA A 28 1.263 0.018 7.630 1.00 0.00 N ATOM 438 CA ALA A 28 1.427 -0.736 8.864 1.00 0.00 C ATOM 439 C ALA A 28 0.866 -2.157 8.689 1.00 0.00 C ATOM 440 O ALA A 28 1.518 -3.145 9.037 1.00 0.00 O ATOM 441 CB ALA A 28 0.735 0.011 10.013 1.00 0.00 C ATOM 0 H ALA A 28 0.590 0.781 7.706 1.00 0.00 H new ATOM 0 HA ALA A 28 2.486 -0.828 9.107 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.857 -0.552 10.938 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.183 0.998 10.127 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.327 0.118 9.790 1.00 0.00 H new ATOM 447 N LYS A 29 -0.329 -2.273 8.101 1.00 0.00 N ATOM 448 CA LYS A 29 -1.040 -3.524 7.846 1.00 0.00 C ATOM 449 C LYS A 29 -0.259 -4.456 6.924 1.00 0.00 C ATOM 450 O LYS A 29 -0.391 -5.669 7.099 1.00 0.00 O ATOM 451 CB LYS A 29 -2.435 -3.219 7.275 1.00 0.00 C ATOM 452 CG LYS A 29 -3.407 -2.695 8.349 1.00 0.00 C ATOM 453 CD LYS A 29 -4.569 -1.936 7.696 1.00 0.00 C ATOM 454 CE LYS A 29 -5.608 -1.451 8.718 1.00 0.00 C ATOM 455 NZ LYS A 29 -6.585 -2.495 9.095 1.00 0.00 N ATOM 0 H LYS A 29 -0.849 -1.458 7.776 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.148 -4.050 8.795 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.345 -2.480 6.479 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.847 -4.123 6.826 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.793 -3.528 8.936 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.877 -2.038 9.038 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -4.176 -1.079 7.149 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.057 -2.583 6.967 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.093 -1.104 9.614 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.142 -0.595 8.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.279 -2.097 9.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.077 -2.834 8.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -6.088 -3.289 9.547 1.00 0.00 H new ATOM 469 N ILE A 30 0.515 -3.941 5.957 1.00 0.00 N ATOM 470 CA ILE A 30 1.301 -4.802 5.071 1.00 0.00 C ATOM 471 C ILE A 30 2.593 -5.211 5.774 1.00 0.00 C ATOM 472 O ILE A 30 2.997 -6.362 5.647 1.00 0.00 O ATOM 473 CB ILE A 30 1.551 -4.183 3.679 1.00 0.00 C ATOM 474 CG1 ILE A 30 2.308 -5.126 2.721 1.00 0.00 C ATOM 475 CG2 ILE A 30 2.288 -2.839 3.711 1.00 0.00 C ATOM 476 CD1 ILE A 30 1.652 -6.501 2.530 1.00 0.00 C ATOM 0 H ILE A 30 0.611 -2.942 5.772 1.00 0.00 H new ATOM 0 HA ILE A 30 0.715 -5.698 4.867 1.00 0.00 H new ATOM 0 HB ILE A 30 0.542 -4.014 3.303 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.396 -4.641 1.749 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.321 -5.270 3.098 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.423 -2.474 2.693 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.703 -2.117 4.281 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.262 -2.969 4.182 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.251 -7.097 1.842 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.589 -7.011 3.491 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.650 -6.372 2.121 1.00 0.00 H new ATOM 488 N GLN A 31 3.244 -4.316 6.531 1.00 0.00 N ATOM 489 CA GLN A 31 4.477 -4.667 7.240 1.00 0.00 C ATOM 490 C GLN A 31 4.196 -5.836 8.182 1.00 0.00 C ATOM 491 O GLN A 31 5.017 -6.737 8.318 1.00 0.00 O ATOM 492 CB GLN A 31 5.021 -3.463 8.009 1.00 0.00 C ATOM 493 CG GLN A 31 5.709 -2.481 7.064 1.00 0.00 C ATOM 494 CD GLN A 31 6.133 -1.220 7.810 1.00 0.00 C ATOM 495 OE1 GLN A 31 7.172 -1.173 8.460 1.00 0.00 O ATOM 496 NE2 GLN A 31 5.298 -0.200 7.787 1.00 0.00 N ATOM 0 H GLN A 31 2.938 -3.352 6.666 1.00 0.00 H new ATOM 0 HA GLN A 31 5.238 -4.964 6.518 1.00 0.00 H new ATOM 0 HB2 GLN A 31 4.206 -2.962 8.532 1.00 0.00 H new ATOM 0 HB3 GLN A 31 5.727 -3.800 8.768 1.00 0.00 H new ATOM 0 HG2 GLN A 31 6.582 -2.953 6.613 1.00 0.00 H new ATOM 0 HG3 GLN A 31 5.033 -2.218 6.250 1.00 0.00 H new ATOM 0 HE21 GLN A 31 4.438 -0.257 7.241 1.00 0.00 H new ATOM 0 HE22 GLN A 31 5.512 0.646 8.315 1.00 0.00 H new ATOM 505 N ASP A 32 2.999 -5.862 8.760 1.00 0.00 N ATOM 506 CA ASP A 32 2.499 -6.889 9.667 1.00 0.00 C ATOM 507 C ASP A 32 2.313 -8.258 8.977 1.00 0.00 C ATOM 508 O ASP A 32 1.984 -9.237 9.641 1.00 0.00 O ATOM 509 CB ASP A 32 1.182 -6.336 10.232 1.00 0.00 C ATOM 510 CG ASP A 32 0.378 -7.297 11.097 1.00 0.00 C ATOM 511 OD1 ASP A 32 -0.618 -7.851 10.577 1.00 0.00 O ATOM 512 OD2 ASP A 32 0.636 -7.364 12.320 1.00 0.00 O ATOM 0 H ASP A 32 2.313 -5.125 8.598 1.00 0.00 H new ATOM 0 HA ASP A 32 3.218 -7.090 10.461 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.406 -5.447 10.821 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.556 -6.017 9.398 1.00 0.00 H new ATOM 517 N LYS A 33 2.530 -8.351 7.656 1.00 0.00 N ATOM 518 CA LYS A 33 2.389 -9.553 6.824 1.00 0.00 C ATOM 519 C LYS A 33 3.531 -9.702 5.812 1.00 0.00 C ATOM 520 O LYS A 33 3.433 -10.554 4.925 1.00 0.00 O ATOM 521 CB LYS A 33 1.057 -9.463 6.055 1.00 0.00 C ATOM 522 CG LYS A 33 -0.160 -9.403 6.980 1.00 0.00 C ATOM 523 CD LYS A 33 -1.403 -8.913 6.237 1.00 0.00 C ATOM 524 CE LYS A 33 -2.563 -8.663 7.204 1.00 0.00 C ATOM 525 NZ LYS A 33 -2.216 -7.690 8.265 1.00 0.00 N ATOM 0 H LYS A 33 2.826 -7.542 7.110 1.00 0.00 H new ATOM 0 HA LYS A 33 2.415 -10.420 7.483 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.069 -8.577 5.420 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.964 -10.326 5.396 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -0.350 -10.392 7.398 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.050 -8.738 7.818 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -1.170 -7.994 5.699 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -1.700 -9.652 5.492 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.424 -8.296 6.646 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -2.859 -9.606 7.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.087 -7.286 8.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.682 -8.171 9.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.635 -6.928 7.861 1.00 0.00 H new ATOM 539 N GLU A 34 4.572 -8.870 5.902 1.00 0.00 N ATOM 540 CA GLU A 34 5.721 -8.879 4.998 1.00 0.00 C ATOM 541 C GLU A 34 7.034 -8.806 5.787 1.00 0.00 C ATOM 542 O GLU A 34 8.031 -9.387 5.366 1.00 0.00 O ATOM 543 CB GLU A 34 5.568 -7.712 4.005 1.00 0.00 C ATOM 544 CG GLU A 34 6.586 -7.724 2.854 1.00 0.00 C ATOM 545 CD GLU A 34 6.530 -8.967 1.968 1.00 0.00 C ATOM 546 OE1 GLU A 34 7.607 -9.569 1.734 1.00 0.00 O ATOM 547 OE2 GLU A 34 5.440 -9.327 1.484 1.00 0.00 O ATOM 0 H GLU A 34 4.639 -8.154 6.625 1.00 0.00 H new ATOM 0 HA GLU A 34 5.754 -9.813 4.437 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.562 -7.737 3.585 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.663 -6.772 4.549 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.422 -6.843 2.233 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.589 -7.637 3.272 1.00 0.00 H new ATOM 554 N GLY A 35 7.042 -8.099 6.920 1.00 0.00 N ATOM 555 CA GLY A 35 8.180 -7.949 7.807 1.00 0.00 C ATOM 556 C GLY A 35 9.376 -7.229 7.199 1.00 0.00 C ATOM 557 O GLY A 35 10.449 -7.815 7.093 1.00 0.00 O ATOM 0 H GLY A 35 6.218 -7.598 7.251 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.860 -7.405 8.696 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.499 -8.938 8.136 1.00 0.00 H new ATOM 561 N ILE A 36 9.200 -5.974 6.791 1.00 0.00 N ATOM 562 CA ILE A 36 10.247 -5.138 6.205 1.00 0.00 C ATOM 563 C ILE A 36 10.067 -3.699 6.702 1.00 0.00 C ATOM 564 O ILE A 36 8.992 -3.373 7.220 1.00 0.00 O ATOM 565 CB ILE A 36 10.247 -5.231 4.657 1.00 0.00 C ATOM 566 CG1 ILE A 36 8.866 -5.201 3.968 1.00 0.00 C ATOM 567 CG2 ILE A 36 10.952 -6.518 4.218 1.00 0.00 C ATOM 568 CD1 ILE A 36 8.131 -3.868 4.047 1.00 0.00 C ATOM 0 H ILE A 36 8.301 -5.497 6.861 1.00 0.00 H new ATOM 0 HA ILE A 36 11.225 -5.498 6.526 1.00 0.00 H new ATOM 0 HB ILE A 36 10.764 -4.325 4.341 1.00 0.00 H new ATOM 0 HG12 ILE A 36 8.995 -5.465 2.918 1.00 0.00 H new ATOM 0 HG13 ILE A 36 8.238 -5.971 4.415 1.00 0.00 H new ATOM 0 HG21 ILE A 36 10.950 -6.581 3.130 1.00 0.00 H new ATOM 0 HG22 ILE A 36 11.980 -6.511 4.580 1.00 0.00 H new ATOM 0 HG23 ILE A 36 10.428 -7.379 4.632 1.00 0.00 H new ATOM 0 HD11 ILE A 36 7.173 -3.950 3.534 1.00 0.00 H new ATOM 0 HD12 ILE A 36 7.962 -3.607 5.092 1.00 0.00 H new ATOM 0 HD13 ILE A 36 8.732 -3.093 3.572 1.00 0.00 H new ATOM 580 N PRO A 37 11.080 -2.824 6.600 1.00 0.00 N ATOM 581 CA PRO A 37 10.953 -1.445 7.039 1.00 0.00 C ATOM 582 C PRO A 37 10.164 -0.626 6.002 1.00 0.00 C ATOM 583 O PRO A 37 10.076 -1.016 4.835 1.00 0.00 O ATOM 584 CB PRO A 37 12.394 -0.907 7.132 1.00 0.00 C ATOM 585 CG PRO A 37 13.300 -2.105 6.838 1.00 0.00 C ATOM 586 CD PRO A 37 12.402 -3.039 6.039 1.00 0.00 C ATOM 0 HA PRO A 37 10.424 -1.374 7.989 1.00 0.00 H new ATOM 0 HB2 PRO A 37 12.560 -0.104 6.413 1.00 0.00 H new ATOM 0 HB3 PRO A 37 12.596 -0.496 8.121 1.00 0.00 H new ATOM 0 HG2 PRO A 37 14.182 -1.812 6.269 1.00 0.00 H new ATOM 0 HG3 PRO A 37 13.654 -2.575 7.755 1.00 0.00 H new ATOM 0 HD2 PRO A 37 12.427 -2.803 4.975 1.00 0.00 H new ATOM 0 HD3 PRO A 37 12.715 -4.078 6.142 1.00 0.00 H new ATOM 594 N PRO A 38 9.630 0.555 6.364 1.00 0.00 N ATOM 595 CA PRO A 38 8.921 1.410 5.413 1.00 0.00 C ATOM 596 C PRO A 38 9.867 1.889 4.288 1.00 0.00 C ATOM 597 O PRO A 38 9.412 2.274 3.212 1.00 0.00 O ATOM 598 CB PRO A 38 8.424 2.610 6.224 1.00 0.00 C ATOM 599 CG PRO A 38 8.497 2.155 7.679 1.00 0.00 C ATOM 600 CD PRO A 38 9.624 1.129 7.697 1.00 0.00 C ATOM 0 HA PRO A 38 8.103 0.871 4.934 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.046 3.488 6.053 1.00 0.00 H new ATOM 0 HB3 PRO A 38 7.406 2.881 5.945 1.00 0.00 H new ATOM 0 HG2 PRO A 38 8.709 2.990 8.347 1.00 0.00 H new ATOM 0 HG3 PRO A 38 7.554 1.716 8.006 1.00 0.00 H new ATOM 0 HD2 PRO A 38 10.580 1.597 7.929 1.00 0.00 H new ATOM 0 HD3 PRO A 38 9.450 0.365 8.455 1.00 0.00 H new ATOM 608 N ASP A 39 11.169 1.981 4.573 1.00 0.00 N ATOM 609 CA ASP A 39 12.223 2.390 3.646 1.00 0.00 C ATOM 610 C ASP A 39 12.572 1.152 2.809 1.00 0.00 C ATOM 611 O ASP A 39 12.633 0.059 3.375 1.00 0.00 O ATOM 612 CB ASP A 39 13.403 2.908 4.468 1.00 0.00 C ATOM 613 CG ASP A 39 14.503 3.464 3.574 1.00 0.00 C ATOM 614 OD1 ASP A 39 15.287 2.647 3.053 1.00 0.00 O ATOM 615 OD2 ASP A 39 14.585 4.711 3.441 1.00 0.00 O ATOM 0 H ASP A 39 11.532 1.762 5.501 1.00 0.00 H new ATOM 0 HA ASP A 39 11.924 3.193 2.973 1.00 0.00 H new ATOM 0 HB2 ASP A 39 13.059 3.685 5.150 1.00 0.00 H new ATOM 0 HB3 ASP A 39 13.804 2.100 5.081 1.00 0.00 H new ATOM 620 N GLN A 40 12.865 1.293 1.508 1.00 0.00 N ATOM 621 CA GLN A 40 13.137 0.174 0.587 1.00 0.00 C ATOM 622 C GLN A 40 11.797 -0.545 0.360 1.00 0.00 C ATOM 623 O GLN A 40 11.730 -1.761 0.187 1.00 0.00 O ATOM 624 CB GLN A 40 14.305 -0.731 1.014 1.00 0.00 C ATOM 625 CG GLN A 40 14.826 -1.530 -0.189 1.00 0.00 C ATOM 626 CD GLN A 40 15.850 -2.573 0.212 1.00 0.00 C ATOM 627 OE1 GLN A 40 15.539 -3.505 0.950 1.00 0.00 O ATOM 628 NE2 GLN A 40 17.069 -2.466 -0.283 1.00 0.00 N ATOM 0 H GLN A 40 12.921 2.205 1.055 1.00 0.00 H new ATOM 0 HA GLN A 40 13.511 0.549 -0.365 1.00 0.00 H new ATOM 0 HB2 GLN A 40 15.109 -0.126 1.433 1.00 0.00 H new ATOM 0 HB3 GLN A 40 13.978 -1.413 1.798 1.00 0.00 H new ATOM 0 HG2 GLN A 40 13.989 -2.019 -0.687 1.00 0.00 H new ATOM 0 HG3 GLN A 40 15.271 -0.846 -0.911 1.00 0.00 H new ATOM 0 HE21 GLN A 40 17.305 -1.684 -0.894 1.00 0.00 H new ATOM 0 HE22 GLN A 40 17.775 -3.166 -0.055 1.00 0.00 H new ATOM 637 N ASN A 41 10.693 0.214 0.353 1.00 0.00 N ATOM 638 CA ASN A 41 9.359 -0.323 0.157 1.00 0.00 C ATOM 639 C ASN A 41 8.395 0.785 -0.260 1.00 0.00 C ATOM 640 O ASN A 41 8.513 1.895 0.256 1.00 0.00 O ATOM 641 CB ASN A 41 8.896 -0.932 1.487 1.00 0.00 C ATOM 642 CG ASN A 41 7.968 -2.091 1.228 1.00 0.00 C ATOM 643 OD1 ASN A 41 6.759 -1.972 1.403 1.00 0.00 O ATOM 644 ND2 ASN A 41 8.536 -3.217 0.828 1.00 0.00 N ATOM 0 H ASN A 41 10.711 1.225 0.485 1.00 0.00 H new ATOM 0 HA ASN A 41 9.374 -1.077 -0.630 1.00 0.00 H new ATOM 0 HB2 ASN A 41 9.759 -1.268 2.063 1.00 0.00 H new ATOM 0 HB3 ASN A 41 8.388 -0.176 2.086 1.00 0.00 H new ATOM 0 HD21 ASN A 41 7.963 -4.042 0.649 1.00 0.00 H new ATOM 0 HD22 ASN A 41 9.547 -3.260 0.698 1.00 0.00 H new ATOM 651 N ARG A 42 7.431 0.527 -1.149 1.00 0.00 N ATOM 652 CA ARG A 42 6.444 1.499 -1.619 1.00 0.00 C ATOM 653 C ARG A 42 5.262 0.743 -2.234 1.00 0.00 C ATOM 654 O ARG A 42 5.457 -0.371 -2.717 1.00 0.00 O ATOM 655 CB ARG A 42 7.117 2.420 -2.655 1.00 0.00 C ATOM 656 CG ARG A 42 6.631 3.868 -2.550 1.00 0.00 C ATOM 657 CD ARG A 42 7.588 4.773 -3.334 1.00 0.00 C ATOM 658 NE ARG A 42 7.163 6.182 -3.339 1.00 0.00 N ATOM 659 CZ ARG A 42 7.217 7.039 -2.312 1.00 0.00 C ATOM 660 NH1 ARG A 42 7.758 6.700 -1.150 1.00 0.00 N ATOM 661 NH2 ARG A 42 6.738 8.268 -2.460 1.00 0.00 N ATOM 0 H ARG A 42 7.314 -0.393 -1.573 1.00 0.00 H new ATOM 0 HA ARG A 42 6.073 2.111 -0.797 1.00 0.00 H new ATOM 0 HB2 ARG A 42 8.198 2.391 -2.515 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.915 2.043 -3.658 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.620 3.956 -2.947 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.591 4.177 -1.506 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.586 4.701 -2.901 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.659 4.416 -4.361 1.00 0.00 H new ATOM 0 HE ARG A 42 6.788 6.543 -4.216 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.147 5.766 -1.022 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.786 7.373 -0.384 1.00 0.00 H new ATOM 0 HH21 ARG A 42 6.333 8.553 -3.351 1.00 0.00 H new ATOM 0 HH22 ARG A 42 6.775 8.927 -1.682 1.00 0.00 H new ATOM 675 N LEU A 43 4.057 1.325 -2.230 1.00 0.00 N ATOM 676 CA LEU A 43 2.846 0.715 -2.792 1.00 0.00 C ATOM 677 C LEU A 43 2.412 1.543 -3.992 1.00 0.00 C ATOM 678 O LEU A 43 2.400 2.775 -3.914 1.00 0.00 O ATOM 679 CB LEU A 43 1.677 0.697 -1.789 1.00 0.00 C ATOM 680 CG LEU A 43 1.676 -0.346 -0.659 1.00 0.00 C ATOM 681 CD1 LEU A 43 1.592 -1.768 -1.213 1.00 0.00 C ATOM 682 CD2 LEU A 43 2.862 -0.203 0.295 1.00 0.00 C ATOM 0 H LEU A 43 3.893 2.249 -1.829 1.00 0.00 H new ATOM 0 HA LEU A 43 3.084 -0.315 -3.058 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.626 1.683 -1.326 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.757 0.565 -2.359 1.00 0.00 H new ATOM 0 HG LEU A 43 0.780 -0.149 -0.071 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.593 -2.481 -0.388 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.673 -1.881 -1.788 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.450 -1.958 -1.858 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.801 -0.969 1.068 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.792 -0.322 -0.261 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.839 0.783 0.758 1.00 0.00 H new ATOM 694 N ILE A 44 1.948 0.873 -5.050 1.00 0.00 N ATOM 695 CA ILE A 44 1.516 1.505 -6.288 1.00 0.00 C ATOM 696 C ILE A 44 0.156 0.949 -6.748 1.00 0.00 C ATOM 697 O ILE A 44 0.061 -0.242 -7.044 1.00 0.00 O ATOM 698 CB ILE A 44 2.604 1.261 -7.363 1.00 0.00 C ATOM 699 CG1 ILE A 44 4.055 1.602 -6.952 1.00 0.00 C ATOM 700 CG2 ILE A 44 2.240 1.976 -8.667 1.00 0.00 C ATOM 701 CD1 ILE A 44 4.396 3.071 -6.688 1.00 0.00 C ATOM 0 H ILE A 44 1.863 -0.143 -5.065 1.00 0.00 H new ATOM 0 HA ILE A 44 1.386 2.575 -6.128 1.00 0.00 H new ATOM 0 HB ILE A 44 2.606 0.180 -7.501 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.289 1.037 -6.050 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.719 1.240 -7.737 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.016 1.793 -9.411 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.287 1.597 -9.036 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.158 3.047 -8.484 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.446 3.156 -6.410 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.211 3.655 -7.589 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.774 3.449 -5.876 1.00 0.00 H new ATOM 713 N PHE A 45 -0.904 1.762 -6.793 1.00 0.00 N ATOM 714 CA PHE A 45 -2.249 1.375 -7.244 1.00 0.00 C ATOM 715 C PHE A 45 -2.391 1.838 -8.698 1.00 0.00 C ATOM 716 O PHE A 45 -2.533 3.034 -8.952 1.00 0.00 O ATOM 717 CB PHE A 45 -3.341 2.048 -6.402 1.00 0.00 C ATOM 718 CG PHE A 45 -4.728 1.811 -6.973 1.00 0.00 C ATOM 719 CD1 PHE A 45 -5.539 2.903 -7.327 1.00 0.00 C ATOM 720 CD2 PHE A 45 -5.180 0.500 -7.227 1.00 0.00 C ATOM 721 CE1 PHE A 45 -6.816 2.685 -7.867 1.00 0.00 C ATOM 722 CE2 PHE A 45 -6.435 0.287 -7.824 1.00 0.00 C ATOM 723 CZ PHE A 45 -7.271 1.378 -8.104 1.00 0.00 C ATOM 0 H PHE A 45 -0.850 2.740 -6.508 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.368 0.296 -7.144 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.299 1.666 -5.382 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.149 3.120 -6.349 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -5.179 3.911 -7.183 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.560 -0.344 -6.962 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -7.451 3.526 -8.101 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -6.755 -0.716 -8.067 1.00 0.00 H new ATOM 0 HZ PHE A 45 -8.262 1.213 -8.501 1.00 0.00 H new ATOM 733 N ALA A 46 -2.389 0.911 -9.657 1.00 0.00 N ATOM 734 CA ALA A 46 -2.522 1.172 -11.087 1.00 0.00 C ATOM 735 C ALA A 46 -1.576 2.288 -11.534 1.00 0.00 C ATOM 736 O ALA A 46 -1.997 3.300 -12.106 1.00 0.00 O ATOM 737 CB ALA A 46 -3.990 1.455 -11.420 1.00 0.00 C ATOM 0 H ALA A 46 -2.290 -0.082 -9.448 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.223 0.289 -11.651 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.090 1.650 -12.488 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.597 0.591 -11.151 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.329 2.326 -10.859 1.00 0.00 H new ATOM 743 N GLY A 47 -0.296 2.128 -11.211 1.00 0.00 N ATOM 744 CA GLY A 47 0.758 3.068 -11.536 1.00 0.00 C ATOM 745 C GLY A 47 0.792 4.301 -10.631 1.00 0.00 C ATOM 746 O GLY A 47 1.784 5.025 -10.663 1.00 0.00 O ATOM 0 H GLY A 47 0.041 1.312 -10.699 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.719 2.557 -11.473 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.636 3.392 -12.570 1.00 0.00 H new ATOM 750 N LYS A 48 -0.245 4.572 -9.828 1.00 0.00 N ATOM 751 CA LYS A 48 -0.294 5.724 -8.935 1.00 0.00 C ATOM 752 C LYS A 48 0.539 5.431 -7.701 1.00 0.00 C ATOM 753 O LYS A 48 0.305 4.433 -7.023 1.00 0.00 O ATOM 754 CB LYS A 48 -1.743 6.038 -8.557 1.00 0.00 C ATOM 755 CG LYS A 48 -1.863 7.446 -7.948 1.00 0.00 C ATOM 756 CD LYS A 48 -3.280 7.995 -8.127 1.00 0.00 C ATOM 757 CE LYS A 48 -3.493 8.365 -9.600 1.00 0.00 C ATOM 758 NZ LYS A 48 -4.907 8.677 -9.863 1.00 0.00 N ATOM 0 H LYS A 48 -1.080 3.988 -9.784 1.00 0.00 H new ATOM 0 HA LYS A 48 0.116 6.599 -9.439 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.377 5.965 -9.441 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.105 5.298 -7.844 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.613 7.411 -6.888 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.146 8.115 -8.423 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.013 7.251 -7.816 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.427 8.870 -7.494 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.873 9.224 -9.857 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.174 7.540 -10.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.027 8.924 -10.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.493 7.848 -9.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.201 9.480 -9.271 1.00 0.00 H new ATOM 772 N GLN A 49 1.520 6.285 -7.440 1.00 0.00 N ATOM 773 CA GLN A 49 2.431 6.183 -6.313 1.00 0.00 C ATOM 774 C GLN A 49 1.670 6.719 -5.107 1.00 0.00 C ATOM 775 O GLN A 49 1.061 7.787 -5.223 1.00 0.00 O ATOM 776 CB GLN A 49 3.718 6.996 -6.566 1.00 0.00 C ATOM 777 CG GLN A 49 4.253 6.967 -8.012 1.00 0.00 C ATOM 778 CD GLN A 49 3.511 7.960 -8.909 1.00 0.00 C ATOM 779 OE1 GLN A 49 3.658 9.163 -8.769 1.00 0.00 O ATOM 780 NE2 GLN A 49 2.671 7.511 -9.834 1.00 0.00 N ATOM 0 H GLN A 49 1.708 7.096 -8.030 1.00 0.00 H new ATOM 0 HA GLN A 49 2.749 5.153 -6.152 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.531 8.033 -6.288 1.00 0.00 H new ATOM 0 HB3 GLN A 49 4.498 6.623 -5.902 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.317 7.202 -8.011 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.149 5.961 -8.419 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.540 6.507 -9.960 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.157 8.170 -10.419 1.00 0.00 H new ATOM 789 N LEU A 50 1.709 6.003 -3.981 1.00 0.00 N ATOM 790 CA LEU A 50 1.000 6.369 -2.759 1.00 0.00 C ATOM 791 C LEU A 50 1.990 6.491 -1.606 1.00 0.00 C ATOM 792 O LEU A 50 2.893 5.652 -1.483 1.00 0.00 O ATOM 793 CB LEU A 50 -0.043 5.281 -2.427 1.00 0.00 C ATOM 794 CG LEU A 50 -0.847 4.723 -3.620 1.00 0.00 C ATOM 795 CD1 LEU A 50 -1.726 3.573 -3.145 1.00 0.00 C ATOM 796 CD2 LEU A 50 -1.732 5.770 -4.302 1.00 0.00 C ATOM 0 H LEU A 50 2.244 5.139 -3.894 1.00 0.00 H new ATOM 0 HA LEU A 50 0.498 7.326 -2.905 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.470 4.451 -1.941 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.746 5.690 -1.701 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.117 4.388 -4.357 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.295 3.178 -3.987 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.100 2.784 -2.728 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.414 3.933 -2.380 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.268 5.309 -5.131 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.448 6.166 -3.582 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.110 6.582 -4.679 1.00 0.00 H new ATOM 808 N GLU A 51 1.819 7.490 -0.743 1.00 0.00 N ATOM 809 CA GLU A 51 2.671 7.742 0.416 1.00 0.00 C ATOM 810 C GLU A 51 1.856 8.404 1.527 1.00 0.00 C ATOM 811 O GLU A 51 0.713 8.812 1.308 1.00 0.00 O ATOM 812 CB GLU A 51 3.877 8.603 -0.004 1.00 0.00 C ATOM 813 CG GLU A 51 3.501 10.055 -0.343 1.00 0.00 C ATOM 814 CD GLU A 51 4.250 10.575 -1.568 1.00 0.00 C ATOM 815 OE1 GLU A 51 5.121 11.467 -1.427 1.00 0.00 O ATOM 816 OE2 GLU A 51 3.962 10.122 -2.701 1.00 0.00 O ATOM 0 H GLU A 51 1.061 8.166 -0.834 1.00 0.00 H new ATOM 0 HA GLU A 51 3.055 6.799 0.807 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.611 8.604 0.801 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.355 8.147 -0.871 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.428 10.118 -0.522 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.720 10.694 0.512 1.00 0.00 H new ATOM 823 N ASP A 52 2.431 8.478 2.727 1.00 0.00 N ATOM 824 CA ASP A 52 1.767 9.091 3.869 1.00 0.00 C ATOM 825 C ASP A 52 1.466 10.566 3.620 1.00 0.00 C ATOM 826 O ASP A 52 2.107 11.231 2.802 1.00 0.00 O ATOM 827 CB ASP A 52 2.529 8.859 5.179 1.00 0.00 C ATOM 828 CG ASP A 52 3.832 9.647 5.255 1.00 0.00 C ATOM 829 OD1 ASP A 52 3.805 10.827 5.664 1.00 0.00 O ATOM 830 OD2 ASP A 52 4.890 9.048 4.956 1.00 0.00 O ATOM 0 H ASP A 52 3.363 8.117 2.931 1.00 0.00 H new ATOM 0 HA ASP A 52 0.806 8.590 3.987 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.892 9.138 6.018 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.746 7.796 5.284 1.00 0.00 H new ATOM 835 N GLY A 53 0.464 11.064 4.342 1.00 0.00 N ATOM 836 CA GLY A 53 -0.024 12.430 4.259 1.00 0.00 C ATOM 837 C GLY A 53 -1.389 12.490 3.568 1.00 0.00 C ATOM 838 O GLY A 53 -1.974 13.571 3.515 1.00 0.00 O ATOM 0 H GLY A 53 -0.046 10.503 5.024 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.102 12.853 5.261 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.692 13.042 3.710 1.00 0.00 H new ATOM 842 N ARG A 54 -1.910 11.371 3.038 1.00 0.00 N ATOM 843 CA ARG A 54 -3.202 11.275 2.371 1.00 0.00 C ATOM 844 C ARG A 54 -4.027 10.123 2.954 1.00 0.00 C ATOM 845 O ARG A 54 -3.563 9.422 3.859 1.00 0.00 O ATOM 846 CB ARG A 54 -2.963 11.035 0.884 1.00 0.00 C ATOM 847 CG ARG A 54 -2.180 12.151 0.188 1.00 0.00 C ATOM 848 CD ARG A 54 -2.848 12.367 -1.161 1.00 0.00 C ATOM 849 NE ARG A 54 -2.134 13.313 -2.030 1.00 0.00 N ATOM 850 CZ ARG A 54 -2.441 13.596 -3.302 1.00 0.00 C ATOM 851 NH1 ARG A 54 -3.406 12.920 -3.919 1.00 0.00 N ATOM 852 NH2 ARG A 54 -1.777 14.555 -3.937 1.00 0.00 N ATOM 0 H ARG A 54 -1.417 10.479 3.068 1.00 0.00 H new ATOM 0 HA ARG A 54 -3.757 12.201 2.521 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -2.423 10.096 0.761 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -3.926 10.917 0.387 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -2.197 13.066 0.781 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.134 11.872 0.063 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.930 11.408 -1.673 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -3.863 12.731 -1.000 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.332 13.798 -1.628 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -3.912 12.186 -3.423 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -3.640 13.135 -4.888 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.040 15.069 -3.456 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -2.004 14.777 -4.906 1.00 0.00 H new ATOM 866 N THR A 55 -5.233 9.941 2.410 1.00 0.00 N ATOM 867 CA THR A 55 -6.201 8.899 2.766 1.00 0.00 C ATOM 868 C THR A 55 -6.647 8.138 1.527 1.00 0.00 C ATOM 869 O THR A 55 -6.414 8.577 0.388 1.00 0.00 O ATOM 870 CB THR A 55 -7.462 9.451 3.438 1.00 0.00 C ATOM 871 OG1 THR A 55 -8.094 10.427 2.626 1.00 0.00 O ATOM 872 CG2 THR A 55 -7.218 9.984 4.830 1.00 0.00 C ATOM 0 H THR A 55 -5.580 10.550 1.669 1.00 0.00 H new ATOM 0 HA THR A 55 -5.682 8.249 3.470 1.00 0.00 H new ATOM 0 HB THR A 55 -8.135 8.601 3.550 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.504 11.204 2.529 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.154 10.359 5.245 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.834 9.185 5.464 1.00 0.00 H new ATOM 0 HG23 THR A 55 -6.490 10.794 4.787 1.00 0.00 H new ATOM 880 N LEU A 56 -7.289 6.994 1.741 1.00 0.00 N ATOM 881 CA LEU A 56 -7.794 6.160 0.666 1.00 0.00 C ATOM 882 C LEU A 56 -8.791 6.938 -0.195 1.00 0.00 C ATOM 883 O LEU A 56 -8.810 6.748 -1.417 1.00 0.00 O ATOM 884 CB LEU A 56 -8.424 4.899 1.280 1.00 0.00 C ATOM 885 CG LEU A 56 -7.528 3.663 1.069 1.00 0.00 C ATOM 886 CD1 LEU A 56 -7.256 2.926 2.378 1.00 0.00 C ATOM 887 CD2 LEU A 56 -8.213 2.737 0.068 1.00 0.00 C ATOM 0 H LEU A 56 -7.473 6.621 2.672 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.979 5.860 0.007 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.587 5.054 2.346 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.401 4.723 0.830 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.561 3.989 0.685 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.621 2.062 2.184 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.753 3.596 3.075 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.199 2.593 2.811 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -7.593 1.855 -0.095 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -9.183 2.432 0.460 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.352 3.262 -0.877 1.00 0.00 H new ATOM 899 N SER A 57 -9.582 7.832 0.413 1.00 0.00 N ATOM 900 CA SER A 57 -10.546 8.613 -0.353 1.00 0.00 C ATOM 901 C SER A 57 -9.818 9.665 -1.202 1.00 0.00 C ATOM 902 O SER A 57 -10.196 9.864 -2.360 1.00 0.00 O ATOM 903 CB SER A 57 -11.615 9.232 0.561 1.00 0.00 C ATOM 904 OG SER A 57 -12.863 9.268 -0.106 1.00 0.00 O ATOM 0 H SER A 57 -9.571 8.026 1.414 1.00 0.00 H new ATOM 0 HA SER A 57 -11.075 7.948 -1.036 1.00 0.00 H new ATOM 0 HB2 SER A 57 -11.701 8.650 1.479 1.00 0.00 H new ATOM 0 HB3 SER A 57 -11.319 10.241 0.849 1.00 0.00 H new ATOM 0 HG SER A 57 -13.538 9.662 0.485 1.00 0.00 H new ATOM 910 N ASP A 58 -8.738 10.280 -0.690 1.00 0.00 N ATOM 911 CA ASP A 58 -7.979 11.301 -1.425 1.00 0.00 C ATOM 912 C ASP A 58 -7.442 10.723 -2.729 1.00 0.00 C ATOM 913 O ASP A 58 -7.577 11.360 -3.775 1.00 0.00 O ATOM 914 CB ASP A 58 -6.781 11.870 -0.650 1.00 0.00 C ATOM 915 CG ASP A 58 -7.159 12.762 0.531 1.00 0.00 C ATOM 916 OD1 ASP A 58 -6.671 12.485 1.652 1.00 0.00 O ATOM 917 OD2 ASP A 58 -7.875 13.767 0.341 1.00 0.00 O ATOM 0 H ASP A 58 -8.370 10.083 0.241 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.688 12.111 -1.597 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.174 11.042 -0.284 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.158 12.443 -1.337 1.00 0.00 H new ATOM 922 N TYR A 59 -6.815 9.535 -2.709 1.00 0.00 N ATOM 923 CA TYR A 59 -6.300 8.949 -3.944 1.00 0.00 C ATOM 924 C TYR A 59 -7.427 8.295 -4.758 1.00 0.00 C ATOM 925 O TYR A 59 -7.180 7.812 -5.866 1.00 0.00 O ATOM 926 CB TYR A 59 -5.191 7.935 -3.656 1.00 0.00 C ATOM 927 CG TYR A 59 -3.864 8.506 -3.195 1.00 0.00 C ATOM 928 CD1 TYR A 59 -3.121 9.404 -3.988 1.00 0.00 C ATOM 929 CD2 TYR A 59 -3.330 8.055 -1.982 1.00 0.00 C ATOM 930 CE1 TYR A 59 -1.851 9.842 -3.559 1.00 0.00 C ATOM 931 CE2 TYR A 59 -2.104 8.549 -1.508 1.00 0.00 C ATOM 932 CZ TYR A 59 -1.334 9.413 -2.315 1.00 0.00 C ATOM 933 OH TYR A 59 -0.110 9.808 -1.873 1.00 0.00 O ATOM 0 H TYR A 59 -6.658 8.978 -1.869 1.00 0.00 H new ATOM 0 HA TYR A 59 -5.875 9.758 -4.537 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.549 7.243 -2.894 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.017 7.352 -4.560 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -3.525 9.757 -4.925 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -3.868 7.318 -1.404 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -1.272 10.507 -4.182 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -1.751 8.268 -0.527 1.00 0.00 H new ATOM 0 HH TYR A 59 -0.110 9.838 -0.893 1.00 0.00 H new ATOM 943 N ASN A 60 -8.657 8.286 -4.231 1.00 0.00 N ATOM 944 CA ASN A 60 -9.859 7.726 -4.832 1.00 0.00 C ATOM 945 C ASN A 60 -9.597 6.306 -5.344 1.00 0.00 C ATOM 946 O ASN A 60 -9.632 6.001 -6.538 1.00 0.00 O ATOM 947 CB ASN A 60 -10.383 8.707 -5.880 1.00 0.00 C ATOM 948 CG ASN A 60 -11.589 8.155 -6.575 1.00 0.00 C ATOM 949 OD1 ASN A 60 -12.609 7.822 -5.977 1.00 0.00 O ATOM 950 ND2 ASN A 60 -11.425 7.941 -7.857 1.00 0.00 N ATOM 0 H ASN A 60 -8.844 8.697 -3.316 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.653 7.605 -4.095 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -10.635 9.654 -5.403 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.602 8.916 -6.611 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -12.160 7.482 -8.396 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -10.562 8.233 -8.317 1.00 0.00 H new ATOM 957 N ILE A 61 -9.292 5.436 -4.395 1.00 0.00 N ATOM 958 CA ILE A 61 -8.974 4.026 -4.571 1.00 0.00 C ATOM 959 C ILE A 61 -10.187 3.237 -4.095 1.00 0.00 C ATOM 960 O ILE A 61 -10.532 3.271 -2.913 1.00 0.00 O ATOM 961 CB ILE A 61 -7.686 3.653 -3.796 1.00 0.00 C ATOM 962 CG1 ILE A 61 -6.505 4.555 -4.208 1.00 0.00 C ATOM 963 CG2 ILE A 61 -7.350 2.161 -3.987 1.00 0.00 C ATOM 964 CD1 ILE A 61 -5.212 4.273 -3.437 1.00 0.00 C ATOM 0 H ILE A 61 -9.257 5.714 -3.414 1.00 0.00 H new ATOM 0 HA ILE A 61 -8.769 3.792 -5.616 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.867 3.822 -2.735 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.317 4.426 -5.274 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.787 5.597 -4.058 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.442 1.919 -3.435 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.174 1.552 -3.615 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.196 1.955 -5.046 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.428 4.947 -3.783 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.382 4.430 -2.372 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.905 3.241 -3.607 1.00 0.00 H new ATOM 976 N GLN A 62 -10.868 2.579 -5.029 1.00 0.00 N ATOM 977 CA GLN A 62 -12.041 1.774 -4.730 1.00 0.00 C ATOM 978 C GLN A 62 -11.598 0.461 -4.079 1.00 0.00 C ATOM 979 O GLN A 62 -10.409 0.120 -4.060 1.00 0.00 O ATOM 980 CB GLN A 62 -12.836 1.488 -6.014 1.00 0.00 C ATOM 981 CG GLN A 62 -13.564 2.709 -6.598 1.00 0.00 C ATOM 982 CD GLN A 62 -12.592 3.695 -7.234 1.00 0.00 C ATOM 983 OE1 GLN A 62 -12.036 3.442 -8.301 1.00 0.00 O ATOM 984 NE2 GLN A 62 -12.306 4.799 -6.572 1.00 0.00 N ATOM 0 H GLN A 62 -10.618 2.591 -6.018 1.00 0.00 H new ATOM 0 HA GLN A 62 -12.687 2.321 -4.043 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -12.155 1.092 -6.767 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -13.569 0.709 -5.806 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -14.287 2.379 -7.344 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -14.125 3.209 -5.809 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -12.773 4.999 -5.688 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -11.617 5.453 -6.944 1.00 0.00 H new ATOM 993 N LYS A 63 -12.563 -0.270 -3.529 1.00 0.00 N ATOM 994 CA LYS A 63 -12.326 -1.552 -2.887 1.00 0.00 C ATOM 995 C LYS A 63 -11.906 -2.603 -3.917 1.00 0.00 C ATOM 996 O LYS A 63 -12.008 -2.390 -5.128 1.00 0.00 O ATOM 997 CB LYS A 63 -13.563 -1.956 -2.085 1.00 0.00 C ATOM 998 CG LYS A 63 -14.838 -2.094 -2.921 1.00 0.00 C ATOM 999 CD LYS A 63 -16.014 -2.515 -2.038 1.00 0.00 C ATOM 1000 CE LYS A 63 -17.324 -2.308 -2.796 1.00 0.00 C ATOM 1001 NZ LYS A 63 -18.485 -2.628 -1.947 1.00 0.00 N ATOM 0 H LYS A 63 -13.542 0.017 -3.518 1.00 0.00 H new ATOM 0 HA LYS A 63 -11.496 -1.470 -2.185 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -13.365 -2.905 -1.587 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -13.733 -1.215 -1.304 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -15.064 -1.146 -3.410 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -14.685 -2.831 -3.709 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -15.910 -3.561 -1.751 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -16.018 -1.931 -1.118 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -17.392 -1.274 -3.135 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -17.336 -2.937 -3.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -19.361 -2.479 -2.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -18.430 -3.621 -1.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -18.484 -2.010 -1.110 1.00 0.00 H new ATOM 1015 N GLU A 64 -11.420 -3.735 -3.415 1.00 0.00 N ATOM 1016 CA GLU A 64 -10.923 -4.889 -4.151 1.00 0.00 C ATOM 1017 C GLU A 64 -9.901 -4.478 -5.228 1.00 0.00 C ATOM 1018 O GLU A 64 -9.773 -5.127 -6.268 1.00 0.00 O ATOM 1019 CB GLU A 64 -12.078 -5.801 -4.628 1.00 0.00 C ATOM 1020 CG GLU A 64 -12.499 -6.865 -3.593 1.00 0.00 C ATOM 1021 CD GLU A 64 -13.673 -6.487 -2.684 1.00 0.00 C ATOM 1022 OE1 GLU A 64 -13.961 -5.291 -2.461 1.00 0.00 O ATOM 1023 OE2 GLU A 64 -14.362 -7.407 -2.195 1.00 0.00 O ATOM 0 H GLU A 64 -11.360 -3.878 -2.407 1.00 0.00 H new ATOM 0 HA GLU A 64 -10.350 -5.523 -3.474 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -12.941 -5.181 -4.870 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -11.777 -6.302 -5.548 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -12.757 -7.780 -4.126 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -11.638 -7.094 -2.965 1.00 0.00 H new ATOM 1030 N SER A 65 -9.179 -3.376 -4.992 1.00 0.00 N ATOM 1031 CA SER A 65 -8.147 -2.851 -5.875 1.00 0.00 C ATOM 1032 C SER A 65 -6.946 -3.804 -5.843 1.00 0.00 C ATOM 1033 O SER A 65 -6.964 -4.830 -5.158 1.00 0.00 O ATOM 1034 CB SER A 65 -7.785 -1.408 -5.473 1.00 0.00 C ATOM 1035 OG SER A 65 -8.083 -1.122 -4.124 1.00 0.00 O ATOM 0 H SER A 65 -9.306 -2.811 -4.152 1.00 0.00 H new ATOM 0 HA SER A 65 -8.505 -2.798 -6.903 1.00 0.00 H new ATOM 0 HB2 SER A 65 -6.722 -1.244 -5.648 1.00 0.00 H new ATOM 0 HB3 SER A 65 -8.325 -0.711 -6.114 1.00 0.00 H new ATOM 0 HG SER A 65 -8.966 -0.701 -4.066 1.00 0.00 H new ATOM 1041 N THR A 66 -5.890 -3.534 -6.608 1.00 0.00 N ATOM 1042 CA THR A 66 -4.720 -4.393 -6.623 1.00 0.00 C ATOM 1043 C THR A 66 -3.566 -3.430 -6.743 1.00 0.00 C ATOM 1044 O THR A 66 -3.545 -2.607 -7.661 1.00 0.00 O ATOM 1045 CB THR A 66 -4.809 -5.446 -7.739 1.00 0.00 C ATOM 1046 OG1 THR A 66 -6.052 -6.115 -7.626 1.00 0.00 O ATOM 1047 CG2 THR A 66 -3.688 -6.486 -7.631 1.00 0.00 C ATOM 0 H THR A 66 -5.826 -2.724 -7.225 1.00 0.00 H new ATOM 0 HA THR A 66 -4.609 -5.006 -5.729 1.00 0.00 H new ATOM 0 HB THR A 66 -4.712 -4.937 -8.698 1.00 0.00 H new ATOM 0 HG1 THR A 66 -6.126 -6.790 -8.333 1.00 0.00 H new ATOM 0 HG21 THR A 66 -3.786 -7.212 -8.438 1.00 0.00 H new ATOM 0 HG22 THR A 66 -2.721 -5.988 -7.707 1.00 0.00 H new ATOM 0 HG23 THR A 66 -3.758 -6.998 -6.671 1.00 0.00 H new ATOM 1055 N LEU A 67 -2.687 -3.460 -5.751 1.00 0.00 N ATOM 1056 CA LEU A 67 -1.524 -2.607 -5.678 1.00 0.00 C ATOM 1057 C LEU A 67 -0.298 -3.466 -5.949 1.00 0.00 C ATOM 1058 O LEU A 67 -0.344 -4.684 -5.754 1.00 0.00 O ATOM 1059 CB LEU A 67 -1.440 -1.954 -4.285 1.00 0.00 C ATOM 1060 CG LEU A 67 -2.572 -0.949 -3.983 1.00 0.00 C ATOM 1061 CD1 LEU A 67 -3.908 -1.585 -3.572 1.00 0.00 C ATOM 1062 CD2 LEU A 67 -2.129 -0.011 -2.860 1.00 0.00 C ATOM 0 H LEU A 67 -2.771 -4.096 -4.958 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.584 -1.807 -6.416 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.455 -2.738 -3.528 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.482 -1.442 -4.194 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.750 -0.424 -4.921 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.641 -0.801 -3.381 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.267 -2.229 -4.375 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.766 -2.177 -2.668 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.926 0.700 -2.644 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.910 -0.593 -1.965 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.234 0.530 -3.169 1.00 0.00 H new ATOM 1074 N HIS A 68 0.818 -2.852 -6.326 1.00 0.00 N ATOM 1075 CA HIS A 68 2.083 -3.514 -6.605 1.00 0.00 C ATOM 1076 C HIS A 68 3.126 -2.958 -5.643 1.00 0.00 C ATOM 1077 O HIS A 68 3.322 -1.739 -5.584 1.00 0.00 O ATOM 1078 CB HIS A 68 2.495 -3.299 -8.067 1.00 0.00 C ATOM 1079 CG HIS A 68 2.086 -4.423 -8.988 1.00 0.00 C ATOM 1080 ND1 HIS A 68 2.899 -4.983 -9.949 1.00 0.00 N ATOM 1081 CD2 HIS A 68 0.889 -5.090 -8.999 1.00 0.00 C ATOM 1082 CE1 HIS A 68 2.199 -5.989 -10.510 1.00 0.00 C ATOM 1083 NE2 HIS A 68 0.976 -6.099 -9.962 1.00 0.00 N ATOM 0 H HIS A 68 0.866 -1.841 -6.450 1.00 0.00 H new ATOM 0 HA HIS A 68 1.990 -4.590 -6.459 1.00 0.00 H new ATOM 0 HB2 HIS A 68 2.054 -2.369 -8.426 1.00 0.00 H new ATOM 0 HB3 HIS A 68 3.577 -3.178 -8.116 1.00 0.00 H new ATOM 0 HD1 HIS A 68 3.847 -4.693 -10.189 1.00 0.00 H new ATOM 0 HD2 HIS A 68 0.033 -4.875 -8.376 1.00 0.00 H new ATOM 0 HE1 HIS A 68 2.573 -6.625 -11.299 1.00 0.00 H new ATOM 1090 N LEU A 69 3.725 -3.847 -4.850 1.00 0.00 N ATOM 1091 CA LEU A 69 4.764 -3.521 -3.891 1.00 0.00 C ATOM 1092 C LEU A 69 6.049 -3.438 -4.691 1.00 0.00 C ATOM 1093 O LEU A 69 6.331 -4.315 -5.509 1.00 0.00 O ATOM 1094 CB LEU A 69 4.944 -4.635 -2.849 1.00 0.00 C ATOM 1095 CG LEU A 69 4.116 -4.482 -1.566 1.00 0.00 C ATOM 1096 CD1 LEU A 69 4.058 -5.819 -0.823 1.00 0.00 C ATOM 1097 CD2 LEU A 69 4.729 -3.425 -0.641 1.00 0.00 C ATOM 0 H LEU A 69 3.489 -4.839 -4.863 1.00 0.00 H new ATOM 0 HA LEU A 69 4.508 -2.600 -3.366 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.689 -5.587 -3.314 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.998 -4.686 -2.576 1.00 0.00 H new ATOM 0 HG LEU A 69 3.112 -4.166 -1.848 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.469 -5.704 0.087 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.595 -6.571 -1.462 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.068 -6.135 -0.564 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.124 -3.336 0.261 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.742 -3.722 -0.370 1.00 0.00 H new ATOM 0 HD23 LEU A 69 4.758 -2.464 -1.155 1.00 0.00 H new ATOM 1109 N VAL A 70 6.793 -2.372 -4.480 1.00 0.00 N ATOM 1110 CA VAL A 70 8.070 -2.098 -5.108 1.00 0.00 C ATOM 1111 C VAL A 70 8.932 -1.451 -4.023 1.00 0.00 C ATOM 1112 O VAL A 70 8.512 -1.340 -2.867 1.00 0.00 O ATOM 1113 CB VAL A 70 7.902 -1.241 -6.383 1.00 0.00 C ATOM 1114 CG1 VAL A 70 7.245 -2.035 -7.524 1.00 0.00 C ATOM 1115 CG2 VAL A 70 7.088 0.029 -6.109 1.00 0.00 C ATOM 0 H VAL A 70 6.509 -1.636 -3.833 1.00 0.00 H new ATOM 0 HA VAL A 70 8.559 -3.002 -5.472 1.00 0.00 H new ATOM 0 HB VAL A 70 8.907 -0.954 -6.693 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.145 -1.396 -8.401 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.865 -2.897 -7.771 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.259 -2.376 -7.209 1.00 0.00 H new ATOM 0 HG21 VAL A 70 6.992 0.605 -7.029 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.097 -0.245 -5.747 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.596 0.631 -5.356 1.00 0.00 H new ATOM 1125 N LEU A 71 10.132 -0.999 -4.372 1.00 0.00 N ATOM 1126 CA LEU A 71 11.044 -0.377 -3.435 1.00 0.00 C ATOM 1127 C LEU A 71 11.645 0.902 -4.006 1.00 0.00 C ATOM 1128 O LEU A 71 11.581 1.170 -5.210 1.00 0.00 O ATOM 1129 CB LEU A 71 12.090 -1.423 -3.003 1.00 0.00 C ATOM 1130 CG LEU A 71 12.705 -2.309 -4.109 1.00 0.00 C ATOM 1131 CD1 LEU A 71 13.574 -1.526 -5.085 1.00 0.00 C ATOM 1132 CD2 LEU A 71 13.553 -3.404 -3.467 1.00 0.00 C ATOM 0 H LEU A 71 10.497 -1.057 -5.323 1.00 0.00 H new ATOM 0 HA LEU A 71 10.510 -0.053 -2.542 1.00 0.00 H new ATOM 0 HB2 LEU A 71 12.903 -0.899 -2.500 1.00 0.00 H new ATOM 0 HB3 LEU A 71 11.627 -2.078 -2.265 1.00 0.00 H new ATOM 0 HG LEU A 71 11.875 -2.731 -4.675 1.00 0.00 H new ATOM 0 HD11 LEU A 71 13.977 -2.204 -5.838 1.00 0.00 H new ATOM 0 HD12 LEU A 71 12.973 -0.758 -5.572 1.00 0.00 H new ATOM 0 HD13 LEU A 71 14.395 -1.055 -4.544 1.00 0.00 H new ATOM 0 HD21 LEU A 71 13.988 -4.031 -4.245 1.00 0.00 H new ATOM 0 HD22 LEU A 71 14.350 -2.949 -2.879 1.00 0.00 H new ATOM 0 HD23 LEU A 71 12.927 -4.015 -2.817 1.00 0.00 H new ATOM 1144 N ARG A 72 12.151 1.739 -3.105 1.00 0.00 N ATOM 1145 CA ARG A 72 12.817 3.006 -3.302 1.00 0.00 C ATOM 1146 C ARG A 72 13.613 3.206 -2.029 1.00 0.00 C ATOM 1147 O ARG A 72 13.170 2.771 -0.962 1.00 0.00 O ATOM 1148 CB ARG A 72 11.855 4.153 -3.583 1.00 0.00 C ATOM 1149 CG ARG A 72 12.054 4.546 -5.049 1.00 0.00 C ATOM 1150 CD ARG A 72 11.443 5.919 -5.248 1.00 0.00 C ATOM 1151 NE ARG A 72 11.669 6.446 -6.607 1.00 0.00 N ATOM 1152 CZ ARG A 72 11.936 7.724 -6.913 1.00 0.00 C ATOM 1153 NH1 ARG A 72 11.903 8.673 -5.985 1.00 0.00 N ATOM 1154 NH2 ARG A 72 12.217 8.065 -8.164 1.00 0.00 N ATOM 0 H ARG A 72 12.093 1.513 -2.112 1.00 0.00 H new ATOM 0 HA ARG A 72 13.451 2.997 -4.188 1.00 0.00 H new ATOM 0 HB2 ARG A 72 10.825 3.847 -3.401 1.00 0.00 H new ATOM 0 HB3 ARG A 72 12.058 4.998 -2.925 1.00 0.00 H new ATOM 0 HG2 ARG A 72 13.115 4.560 -5.300 1.00 0.00 H new ATOM 0 HG3 ARG A 72 11.580 3.818 -5.707 1.00 0.00 H new ATOM 0 HD2 ARG A 72 10.371 5.868 -5.055 1.00 0.00 H new ATOM 0 HD3 ARG A 72 11.865 6.610 -4.519 1.00 0.00 H new ATOM 0 HE ARG A 72 11.618 5.782 -7.380 1.00 0.00 H new ATOM 0 HH11 ARG A 72 11.672 8.435 -5.020 1.00 0.00 H new ATOM 0 HH12 ARG A 72 12.109 9.640 -6.237 1.00 0.00 H new ATOM 0 HH21 ARG A 72 12.230 7.354 -8.896 1.00 0.00 H new ATOM 0 HH22 ARG A 72 12.420 9.038 -8.394 1.00 0.00 H new ATOM 1168 N LEU A 73 14.737 3.898 -2.125 1.00 0.00 N ATOM 1169 CA LEU A 73 15.650 4.084 -1.003 1.00 0.00 C ATOM 1170 C LEU A 73 15.974 5.537 -0.701 1.00 0.00 C ATOM 1171 O LEU A 73 15.478 6.450 -1.358 1.00 0.00 O ATOM 1172 CB LEU A 73 16.920 3.294 -1.395 1.00 0.00 C ATOM 1173 CG LEU A 73 17.224 2.108 -0.471 1.00 0.00 C ATOM 1174 CD1 LEU A 73 18.242 1.199 -1.165 1.00 0.00 C ATOM 1175 CD2 LEU A 73 17.784 2.588 0.866 1.00 0.00 C ATOM 0 H LEU A 73 15.045 4.349 -2.986 1.00 0.00 H new ATOM 0 HA LEU A 73 15.192 3.728 -0.080 1.00 0.00 H new ATOM 0 HB2 LEU A 73 16.808 2.928 -2.415 1.00 0.00 H new ATOM 0 HB3 LEU A 73 17.773 3.972 -1.392 1.00 0.00 H new ATOM 0 HG LEU A 73 16.302 1.562 -0.272 1.00 0.00 H new ATOM 0 HD11 LEU A 73 18.470 0.350 -0.521 1.00 0.00 H new ATOM 0 HD12 LEU A 73 17.826 0.840 -2.106 1.00 0.00 H new ATOM 0 HD13 LEU A 73 19.156 1.760 -1.362 1.00 0.00 H new ATOM 0 HD21 LEU A 73 17.991 1.728 1.503 1.00 0.00 H new ATOM 0 HD22 LEU A 73 18.706 3.144 0.696 1.00 0.00 H new ATOM 0 HD23 LEU A 73 17.055 3.235 1.355 1.00 0.00 H new ATOM 1187 N ARG A 74 16.781 5.749 0.340 1.00 0.00 N ATOM 1188 CA ARG A 74 17.234 7.070 0.761 1.00 0.00 C ATOM 1189 C ARG A 74 18.234 7.616 -0.253 1.00 0.00 C ATOM 1190 O ARG A 74 18.689 6.896 -1.143 1.00 0.00 O ATOM 1191 CB ARG A 74 17.853 6.997 2.167 1.00 0.00 C ATOM 1192 CG ARG A 74 19.002 5.989 2.290 1.00 0.00 C ATOM 1193 CD ARG A 74 19.864 6.318 3.509 1.00 0.00 C ATOM 1194 NE ARG A 74 20.786 5.217 3.791 1.00 0.00 N ATOM 1195 CZ ARG A 74 20.522 4.160 4.566 1.00 0.00 C ATOM 1196 NH1 ARG A 74 19.365 4.066 5.218 1.00 0.00 N ATOM 1197 NH2 ARG A 74 21.416 3.184 4.680 1.00 0.00 N ATOM 0 H ARG A 74 17.142 4.993 0.922 1.00 0.00 H new ATOM 0 HA ARG A 74 16.382 7.748 0.806 1.00 0.00 H new ATOM 0 HB2 ARG A 74 18.219 7.986 2.444 1.00 0.00 H new ATOM 0 HB3 ARG A 74 17.074 6.734 2.883 1.00 0.00 H new ATOM 0 HG2 ARG A 74 18.602 4.979 2.380 1.00 0.00 H new ATOM 0 HG3 ARG A 74 19.612 6.010 1.387 1.00 0.00 H new ATOM 0 HD2 ARG A 74 20.426 7.235 3.329 1.00 0.00 H new ATOM 0 HD3 ARG A 74 19.227 6.499 4.375 1.00 0.00 H new ATOM 0 HE ARG A 74 21.709 5.260 3.359 1.00 0.00 H new ATOM 0 HH11 ARG A 74 18.668 4.805 5.129 1.00 0.00 H new ATOM 0 HH12 ARG A 74 19.176 3.254 5.806 1.00 0.00 H new ATOM 0 HH21 ARG A 74 22.301 3.242 4.177 1.00 0.00 H new ATOM 0 HH22 ARG A 74 21.217 2.377 5.271 1.00 0.00 H new ATOM 1211 N GLY A 75 18.635 8.876 -0.089 1.00 0.00 N ATOM 1212 CA GLY A 75 19.592 9.539 -0.962 1.00 0.00 C ATOM 1213 C GLY A 75 21.034 9.143 -0.650 1.00 0.00 C ATOM 1214 O GLY A 75 21.902 10.014 -0.576 1.00 0.00 O ATOM 0 H GLY A 75 18.296 9.471 0.667 1.00 0.00 H new ATOM 0 HA2 GLY A 75 19.366 9.291 -1.999 1.00 0.00 H new ATOM 0 HA3 GLY A 75 19.484 10.619 -0.861 1.00 0.00 H new ATOM 1218 N GLY A 76 21.303 7.858 -0.435 1.00 0.00 N ATOM 1219 CA GLY A 76 22.620 7.334 -0.127 1.00 0.00 C ATOM 1220 C GLY A 76 22.445 5.901 0.291 1.00 0.00 C ATOM 1221 O GLY A 76 22.500 5.640 1.513 1.00 0.00 O ATOM 0 H GLY A 76 20.585 7.135 -0.473 1.00 0.00 H new ATOM 0 HA2 GLY A 76 23.274 7.403 -0.996 1.00 0.00 H new ATOM 0 HA3 GLY A 76 23.087 7.912 0.670 1.00 0.00 H new TER 1225 GLY A 76