USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 586 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 -58:sc= 0.776 USER MOD Set 1.2: A 25 ASN : amide:sc= 0.857 K(o=1.6,f=-4.4!) USER MOD Set 2.1: A 6 LYS NZ :NH3+ 150:sc= 1.17 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot 137:sc= 1.05 USER MOD Single : A 1 MET CE :methyl -117:sc= -0.47 (180deg=-0.718) USER MOD Single : A 1 MET N :NH3+ -167:sc= 0.961! (180deg=0.736) USER MOD Single : A 2 GLN : amide:sc= -0.05 X(o=-0.05,f=-0.33) USER MOD Single : A 7 THR OG1 : rot -71:sc= 1.17 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0161 USER MOD Single : A 11 LYS NZ :NH3+ -136:sc= 0.655 (180deg=-0.326) USER MOD Single : A 14 THR OG1 : rot -74:sc= 0.0294 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -141:sc= 2.34 (180deg=0.291) USER MOD Single : A 29 LYS NZ :NH3+ 171:sc= 0.27 (180deg=0.186) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN :FLIP amide:sc= 0 F(o=-1.6!,f=0) USER MOD Single : A 41 GLN : amide:sc= 0.613 K(o=0.61,f=-3.7!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot -16:sc= 1.22 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 60:sc= 0.867 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 106:sc= 1.26 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.251 -6.777 -5.211 1.00 9.67 N ATOM 2 CA MET A 1 11.188 -7.171 -3.815 1.00 10.38 C ATOM 3 C MET A 1 9.839 -7.514 -3.165 1.00 9.62 C ATOM 4 O MET A 1 8.800 -7.074 -3.548 1.00 9.62 O ATOM 5 CB MET A 1 11.992 -6.081 -3.023 1.00 13.77 C ATOM 6 CG MET A 1 11.117 -4.884 -2.441 1.00 16.29 C ATOM 7 SD MET A 1 12.191 -3.633 -1.651 1.00 17.17 S ATOM 8 CE MET A 1 10.882 -2.415 -1.338 1.00 16.11 C ATOM 0 H1 MET A 1 12.239 -6.799 -5.534 1.00 9.67 H new ATOM 0 H2 MET A 1 10.685 -7.436 -5.784 1.00 9.67 H new ATOM 0 H3 MET A 1 10.873 -5.814 -5.317 1.00 9.67 H new ATOM 0 HA MET A 1 11.622 -8.170 -3.770 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.512 -6.565 -2.197 1.00 13.77 H new ATOM 0 HB3 MET A 1 12.755 -5.666 -3.681 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.541 -4.423 -3.243 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.401 -5.268 -1.715 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.091 -1.504 -1.899 1.00 16.11 H new ATOM 0 HE2 MET A 1 9.922 -2.823 -1.654 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.846 -2.185 -0.273 1.00 16.11 H new ATOM 20 N GLN A 2 9.860 -8.359 -2.095 1.00 9.27 N ATOM 21 CA GLN A 2 8.675 -8.681 -1.364 1.00 9.07 C ATOM 22 C GLN A 2 8.325 -7.640 -0.341 1.00 8.72 C ATOM 23 O GLN A 2 9.218 -7.168 0.377 1.00 8.22 O ATOM 24 CB GLN A 2 8.756 -10.055 -0.639 1.00 14.46 C ATOM 25 CG GLN A 2 7.444 -10.549 0.016 1.00 17.01 C ATOM 26 CD GLN A 2 7.706 -11.972 0.457 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.465 -12.260 1.378 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.078 -12.886 -0.325 1.00 19.49 N ATOM 0 H GLN A 2 10.704 -8.813 -1.746 1.00 9.27 H new ATOM 0 HA GLN A 2 7.898 -8.724 -2.127 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.086 -10.805 -1.358 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.524 -9.993 0.132 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.172 -9.922 0.865 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.615 -10.506 -0.691 1.00 17.01 H new ATOM 0 HE21 GLN A 2 6.459 -12.577 -1.075 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.225 -13.882 -0.163 1.00 19.49 H new ATOM 37 N ILE A 3 7.051 -7.163 -0.325 1.00 5.87 N ATOM 38 CA ILE A 3 6.457 -6.581 0.871 1.00 5.07 C ATOM 39 C ILE A 3 5.170 -7.266 1.200 1.00 4.01 C ATOM 40 O ILE A 3 4.556 -7.916 0.321 1.00 4.61 O ATOM 41 CB ILE A 3 6.095 -5.137 0.804 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.242 -4.763 -0.438 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.447 -4.363 0.743 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.950 -3.277 -0.693 1.00 10.83 C ATOM 0 H ILE A 3 6.431 -7.178 -1.135 1.00 5.87 H new ATOM 0 HA ILE A 3 7.251 -6.708 1.607 1.00 5.07 H new ATOM 0 HB ILE A 3 5.484 -4.884 1.670 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.745 -5.160 -1.320 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.287 -5.281 -0.355 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.251 -3.292 0.692 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.033 -4.583 1.636 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.004 -4.672 -0.141 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.345 -3.174 -1.594 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.408 -2.862 0.157 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.889 -2.739 -0.823 1.00 10.83 H new ATOM 56 N PHE A 4 4.679 -7.079 2.466 1.00 4.55 N ATOM 57 CA PHE A 4 3.462 -7.632 2.948 1.00 4.68 C ATOM 58 C PHE A 4 2.622 -6.416 3.314 1.00 5.30 C ATOM 59 O PHE A 4 3.044 -5.363 3.827 1.00 5.58 O ATOM 60 CB PHE A 4 3.819 -8.405 4.288 1.00 4.83 C ATOM 61 CG PHE A 4 4.714 -9.567 4.100 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.202 -10.677 3.441 1.00 6.69 C ATOM 63 CD2 PHE A 4 6.102 -9.557 4.377 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.873 -11.853 3.221 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.828 -10.724 4.098 1.00 10.61 C ATOM 66 CZ PHE A 4 6.206 -11.915 3.553 1.00 8.90 C ATOM 0 H PHE A 4 5.166 -6.517 3.164 1.00 4.55 H new ATOM 0 HA PHE A 4 2.961 -8.295 2.243 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.289 -7.708 4.982 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.895 -8.745 4.755 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.190 -10.609 3.070 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.584 -8.683 4.788 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.367 -12.708 2.798 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.890 -10.736 4.296 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.773 -12.824 3.412 1.00 8.90 H new ATOM 76 N VAL A 5 1.353 -6.525 3.015 1.00 4.44 N ATOM 77 CA VAL A 5 0.347 -5.502 3.376 1.00 3.87 C ATOM 78 C VAL A 5 -0.818 -6.091 4.162 1.00 4.93 C ATOM 79 O VAL A 5 -1.331 -7.110 3.777 1.00 6.84 O ATOM 80 CB VAL A 5 -0.226 -4.854 2.037 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.142 -3.679 2.412 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.950 -4.332 1.196 1.00 9.13 C ATOM 0 H VAL A 5 0.965 -7.323 2.512 1.00 4.44 H new ATOM 0 HA VAL A 5 0.838 -4.759 4.005 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.787 -5.595 1.467 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.542 -3.225 1.505 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -1.964 -4.041 3.029 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.571 -2.936 2.968 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.570 -3.886 0.277 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.498 -3.581 1.764 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.617 -5.159 0.950 1.00 9.13 H new ATOM 92 N LYS A 6 -1.257 -5.445 5.282 1.00 6.04 N ATOM 93 CA LYS A 6 -2.221 -6.030 6.254 1.00 6.12 C ATOM 94 C LYS A 6 -3.617 -5.501 6.043 1.00 6.57 C ATOM 95 O LYS A 6 -3.775 -4.304 5.910 1.00 5.76 O ATOM 96 CB LYS A 6 -1.864 -5.639 7.704 1.00 7.45 C ATOM 97 CG LYS A 6 -0.500 -6.181 8.198 1.00 11.12 C ATOM 98 CD LYS A 6 -0.532 -7.741 8.395 1.00 14.54 C ATOM 99 CE LYS A 6 0.750 -8.564 8.724 1.00 18.84 C ATOM 100 NZ LYS A 6 0.426 -9.997 8.765 1.00 20.55 N ATOM 0 H LYS A 6 -0.951 -4.505 5.533 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.170 -7.107 6.096 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.859 -4.552 7.783 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.648 -6.003 8.368 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.277 -5.921 7.479 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.237 -5.700 9.140 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.246 -7.941 9.194 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.949 -8.164 7.481 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.516 -8.377 7.972 1.00 18.84 H new ATOM 0 HE3 LYS A 6 1.160 -8.247 9.683 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.259 -10.550 8.478 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.150 -10.263 9.732 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.361 -10.194 8.114 1.00 20.55 H new ATOM 114 N THR A 7 -4.657 -6.346 6.041 1.00 7.41 N ATOM 115 CA THR A 7 -6.020 -5.947 5.811 1.00 7.48 C ATOM 116 C THR A 7 -6.927 -5.986 7.013 1.00 8.75 C ATOM 117 O THR A 7 -6.483 -6.378 8.078 1.00 8.58 O ATOM 118 CB THR A 7 -6.641 -6.754 4.683 1.00 9.61 C ATOM 119 OG1 THR A 7 -6.929 -8.061 5.063 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.720 -6.825 3.493 1.00 9.17 C ATOM 0 H THR A 7 -4.553 -7.347 6.205 1.00 7.41 H new ATOM 0 HA THR A 7 -5.940 -4.895 5.539 1.00 7.48 H new ATOM 0 HB THR A 7 -7.565 -6.236 4.427 1.00 9.61 H new ATOM 0 HG1 THR A 7 -6.094 -8.563 5.165 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.191 -7.409 2.702 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.518 -5.818 3.129 1.00 9.17 H new ATOM 0 HG23 THR A 7 -4.784 -7.300 3.785 1.00 9.17 H new ATOM 128 N LEU A 8 -8.257 -5.574 6.898 1.00 9.84 N ATOM 129 CA LEU A 8 -9.228 -5.562 7.949 1.00 14.15 C ATOM 130 C LEU A 8 -9.260 -6.813 8.772 1.00 17.37 C ATOM 131 O LEU A 8 -9.287 -6.852 10.021 1.00 17.01 O ATOM 132 CB LEU A 8 -10.630 -5.429 7.315 1.00 16.63 C ATOM 133 CG LEU A 8 -11.807 -5.218 8.394 1.00 18.88 C ATOM 134 CD1 LEU A 8 -11.472 -4.081 9.438 1.00 19.31 C ATOM 135 CD2 LEU A 8 -13.140 -4.999 7.720 1.00 18.59 C ATOM 0 H LEU A 8 -8.639 -5.239 6.014 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.954 -4.733 8.601 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.628 -4.587 6.622 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.841 -6.324 6.729 1.00 16.63 H new ATOM 0 HG LEU A 8 -11.882 -6.142 8.967 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -12.297 -3.979 10.143 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.563 -4.341 9.980 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.324 -3.137 8.913 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -13.912 -4.860 8.477 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -13.087 -4.112 7.089 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -13.385 -5.867 7.107 1.00 18.59 H new ATOM 147 N THR A 9 -9.280 -7.983 8.102 1.00 18.33 N ATOM 148 CA THR A 9 -9.491 -9.247 8.659 1.00 19.24 C ATOM 149 C THR A 9 -8.272 -9.923 9.184 1.00 19.48 C ATOM 150 O THR A 9 -8.340 -11.059 9.729 1.00 23.14 O ATOM 151 CB THR A 9 -10.129 -10.345 7.628 1.00 18.97 C ATOM 152 OG1 THR A 9 -9.288 -10.668 6.562 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.412 -9.749 7.162 1.00 19.70 C ATOM 0 H THR A 9 -9.135 -8.024 7.093 1.00 18.33 H new ATOM 0 HA THR A 9 -10.179 -8.985 9.463 1.00 19.24 H new ATOM 0 HB THR A 9 -10.278 -11.299 8.135 1.00 18.97 H new ATOM 0 HG1 THR A 9 -9.728 -11.328 5.987 1.00 20.24 H new ATOM 0 HG21 THR A 9 -11.898 -10.431 6.465 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.066 -9.578 8.017 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.213 -8.801 6.662 1.00 19.70 H new ATOM 161 N GLY A 10 -7.085 -9.295 9.053 1.00 19.43 N ATOM 162 CA GLY A 10 -5.817 -9.933 9.426 1.00 18.74 C ATOM 163 C GLY A 10 -5.396 -10.921 8.335 1.00 17.62 C ATOM 164 O GLY A 10 -4.388 -11.627 8.508 1.00 19.74 O ATOM 0 H GLY A 10 -6.984 -8.347 8.691 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.044 -9.176 9.563 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -5.926 -10.452 10.378 1.00 18.74 H new ATOM 168 N LYS A 11 -6.065 -10.958 7.192 1.00 13.56 N ATOM 169 CA LYS A 11 -5.461 -11.536 5.965 1.00 11.91 C ATOM 170 C LYS A 11 -4.413 -10.636 5.458 1.00 10.18 C ATOM 171 O LYS A 11 -4.542 -9.462 5.350 1.00 9.10 O ATOM 172 CB LYS A 11 -6.534 -11.771 4.934 1.00 13.43 C ATOM 173 CG LYS A 11 -5.996 -12.505 3.680 1.00 16.69 C ATOM 174 CD LYS A 11 -7.078 -12.699 2.624 1.00 17.92 C ATOM 175 CE LYS A 11 -7.308 -11.516 1.646 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.441 -11.786 0.706 1.00 21.93 N ATOM 0 H LYS A 11 -7.014 -10.604 7.072 1.00 13.56 H new ATOM 0 HA LYS A 11 -4.999 -12.496 6.195 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.339 -12.357 5.378 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.964 -10.815 4.636 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.170 -11.936 3.253 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.596 -13.476 3.972 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -6.828 -13.583 2.038 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -8.019 -12.909 3.133 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -7.515 -10.609 2.214 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.397 -11.334 1.075 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.169 -11.501 -0.256 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.666 -12.801 0.716 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -9.277 -11.244 1.005 1.00 21.93 H new ATOM 190 N THR A 12 -3.242 -11.211 5.077 1.00 9.63 N ATOM 191 CA THR A 12 -2.103 -10.438 4.606 1.00 9.85 C ATOM 192 C THR A 12 -1.935 -10.591 3.126 1.00 11.66 C ATOM 193 O THR A 12 -1.794 -11.725 2.609 1.00 12.33 O ATOM 194 CB THR A 12 -0.787 -10.927 5.204 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.974 -10.871 6.590 1.00 10.91 O ATOM 196 CG2 THR A 12 0.362 -9.995 4.866 1.00 9.63 C ATOM 0 H THR A 12 -3.079 -12.218 5.094 1.00 9.63 H new ATOM 0 HA THR A 12 -2.310 -9.409 4.900 1.00 9.85 H new ATOM 0 HB THR A 12 -0.544 -11.918 4.822 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.609 -11.682 7.002 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.282 -10.376 5.309 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.477 -9.937 3.784 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.153 -9.001 5.262 1.00 9.63 H new ATOM 204 N ILE A 13 -1.806 -9.502 2.349 1.00 10.42 N ATOM 205 CA ILE A 13 -1.518 -9.460 0.994 1.00 11.84 C ATOM 206 C ILE A 13 0.008 -9.498 0.927 1.00 10.55 C ATOM 207 O ILE A 13 0.732 -8.766 1.550 1.00 11.92 O ATOM 208 CB ILE A 13 -2.106 -8.197 0.390 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.390 -7.806 1.106 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.345 -8.375 -1.144 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.135 -6.542 0.489 1.00 16.46 C ATOM 0 H ILE A 13 -1.921 -8.566 2.737 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.947 -10.285 0.425 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.389 -7.387 0.523 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.072 -8.656 1.091 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.159 -7.601 2.151 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.767 -7.458 -1.555 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.397 -8.592 -1.637 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.038 -9.200 -1.311 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.039 -6.337 1.063 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.475 -5.675 0.529 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.402 -6.747 -0.548 1.00 16.46 H new ATOM 223 N THR A 14 0.543 -10.450 0.208 1.00 9.39 N ATOM 224 CA THR A 14 1.924 -10.502 -0.194 1.00 9.63 C ATOM 225 C THR A 14 2.040 -9.790 -1.536 1.00 11.20 C ATOM 226 O THR A 14 1.168 -10.046 -2.327 1.00 11.63 O ATOM 227 CB THR A 14 2.419 -11.915 -0.425 1.00 10.38 C ATOM 228 OG1 THR A 14 2.309 -12.634 0.770 1.00 16.30 O ATOM 229 CG2 THR A 14 3.913 -11.929 -0.809 1.00 11.66 C ATOM 0 H THR A 14 0.002 -11.247 -0.129 1.00 9.39 H new ATOM 0 HA THR A 14 2.513 -10.048 0.603 1.00 9.63 H new ATOM 0 HB THR A 14 1.823 -12.349 -1.228 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.013 -12.349 1.389 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.238 -12.957 -0.968 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.059 -11.356 -1.725 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.499 -11.483 -0.006 1.00 11.66 H new ATOM 237 N LEU A 15 3.004 -8.875 -1.790 1.00 8.29 N ATOM 238 CA LEU A 15 3.211 -8.203 -3.053 1.00 9.03 C ATOM 239 C LEU A 15 4.687 -8.382 -3.488 1.00 8.59 C ATOM 240 O LEU A 15 5.569 -8.576 -2.669 1.00 7.79 O ATOM 241 CB LEU A 15 2.889 -6.677 -3.041 1.00 11.08 C ATOM 242 CG LEU A 15 1.357 -6.432 -2.708 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.229 -4.930 -2.451 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.427 -6.962 -3.766 1.00 15.27 C ATOM 0 H LEU A 15 3.676 -8.587 -1.079 1.00 8.29 H new ATOM 0 HA LEU A 15 2.511 -8.665 -3.750 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.512 -6.174 -2.302 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.130 -6.241 -4.011 1.00 11.08 H new ATOM 0 HG LEU A 15 1.045 -6.994 -1.828 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.193 -4.688 -2.214 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.868 -4.648 -1.614 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.535 -4.381 -3.342 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.605 -6.762 -3.477 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.639 -6.471 -4.716 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.572 -8.037 -3.873 1.00 15.27 H new ATOM 256 N GLU A 16 4.860 -8.146 -4.778 1.00 11.04 N ATOM 257 CA GLU A 16 6.160 -7.916 -5.485 1.00 11.50 C ATOM 258 C GLU A 16 6.202 -6.434 -5.998 1.00 10.13 C ATOM 259 O GLU A 16 5.383 -5.994 -6.796 1.00 9.83 O ATOM 260 CB GLU A 16 6.430 -8.940 -6.539 1.00 17.22 C ATOM 261 CG GLU A 16 7.584 -8.577 -7.537 1.00 23.33 C ATOM 262 CD GLU A 16 8.902 -8.275 -6.945 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.392 -9.038 -6.086 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.465 -7.195 -7.285 1.00 28.90 O ATOM 0 H GLU A 16 4.067 -8.102 -5.418 1.00 11.04 H new ATOM 0 HA GLU A 16 6.985 -8.048 -4.785 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.675 -9.884 -6.052 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.515 -9.103 -7.109 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.706 -9.407 -8.233 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.268 -7.714 -8.123 1.00 23.33 H new ATOM 271 N VAL A 17 7.106 -5.676 -5.380 1.00 8.99 N ATOM 272 CA VAL A 17 7.294 -4.238 -5.617 1.00 8.85 C ATOM 273 C VAL A 17 8.758 -3.902 -5.858 1.00 8.04 C ATOM 274 O VAL A 17 9.666 -4.687 -5.561 1.00 8.99 O ATOM 275 CB VAL A 17 6.899 -3.358 -4.434 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.413 -3.605 -4.215 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.658 -3.636 -3.134 1.00 10.54 C ATOM 0 H VAL A 17 7.747 -6.051 -4.681 1.00 8.99 H new ATOM 0 HA VAL A 17 6.657 -4.037 -6.478 1.00 8.85 H new ATOM 0 HB VAL A 17 7.148 -2.325 -4.679 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.064 -3.002 -3.377 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.862 -3.330 -5.114 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.248 -4.660 -3.996 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.305 -2.960 -2.355 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.485 -4.667 -2.825 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.725 -3.479 -3.295 1.00 10.54 H new ATOM 287 N GLU A 18 9.054 -2.730 -6.375 1.00 7.29 N ATOM 288 CA GLU A 18 10.431 -2.201 -6.419 1.00 7.08 C ATOM 289 C GLU A 18 10.450 -0.932 -5.570 1.00 6.45 C ATOM 290 O GLU A 18 9.325 -0.454 -5.299 1.00 5.28 O ATOM 291 CB GLU A 18 10.832 -1.953 -7.892 1.00 10.28 C ATOM 292 CG GLU A 18 10.916 -3.159 -8.806 1.00 12.65 C ATOM 293 CD GLU A 18 11.672 -2.881 -10.078 1.00 14.15 C ATOM 294 OE1 GLU A 18 11.787 -1.715 -10.526 1.00 18.17 O ATOM 295 OE2 GLU A 18 12.184 -3.843 -10.781 1.00 14.33 O ATOM 0 H GLU A 18 8.358 -2.104 -6.781 1.00 7.29 H new ATOM 0 HA GLU A 18 11.162 -2.901 -6.014 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.115 -1.254 -8.323 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.803 -1.458 -7.898 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.400 -3.978 -8.274 1.00 12.65 H new ATOM 0 HG3 GLU A 18 9.908 -3.491 -9.054 1.00 12.65 H new ATOM 302 N PRO A 19 11.516 -0.391 -5.093 1.00 7.24 N ATOM 303 CA PRO A 19 11.568 0.876 -4.392 1.00 7.07 C ATOM 304 C PRO A 19 11.019 2.057 -5.120 1.00 6.65 C ATOM 305 O PRO A 19 10.432 2.958 -4.560 1.00 6.37 O ATOM 306 CB PRO A 19 13.015 1.162 -4.081 1.00 7.61 C ATOM 307 CG PRO A 19 13.632 -0.261 -3.976 1.00 8.16 C ATOM 308 CD PRO A 19 12.856 -1.087 -4.951 1.00 7.49 C ATOM 0 HA PRO A 19 10.931 0.754 -3.516 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.489 1.751 -4.866 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.126 1.721 -3.152 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.694 -0.251 -4.223 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.544 -0.657 -2.964 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.370 -1.149 -5.910 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.732 -2.108 -4.590 1.00 7.49 H new ATOM 316 N SER A 20 11.088 1.911 -6.478 1.00 6.80 N ATOM 317 CA SER A 20 10.643 2.982 -7.352 1.00 6.28 C ATOM 318 C SER A 20 9.173 2.901 -7.664 1.00 8.45 C ATOM 319 O SER A 20 8.584 3.829 -8.260 1.00 7.26 O ATOM 320 CB SER A 20 11.452 2.925 -8.695 1.00 8.57 C ATOM 321 OG SER A 20 12.856 3.306 -8.416 1.00 11.13 O ATOM 0 H SER A 20 11.439 1.081 -6.955 1.00 6.80 H new ATOM 0 HA SER A 20 10.819 3.922 -6.828 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.409 1.922 -9.120 1.00 8.57 H new ATOM 0 HB3 SER A 20 11.015 3.602 -9.429 1.00 8.57 H new ATOM 0 HG SER A 20 13.375 3.273 -9.247 1.00 11.13 H new ATOM 327 N ASP A 21 8.466 1.853 -7.185 1.00 7.50 N ATOM 328 CA ASP A 21 6.970 1.877 -7.276 1.00 7.70 C ATOM 329 C ASP A 21 6.447 3.057 -6.433 1.00 7.08 C ATOM 330 O ASP A 21 7.030 3.306 -5.342 1.00 8.11 O ATOM 331 CB ASP A 21 6.349 0.480 -6.946 1.00 11.00 C ATOM 332 CG ASP A 21 6.337 -0.507 -8.076 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.252 -0.151 -9.300 1.00 14.36 O ATOM 334 OD2 ASP A 21 6.458 -1.708 -7.775 1.00 18.03 O ATOM 0 H ASP A 21 8.868 1.021 -6.754 1.00 7.50 H new ATOM 0 HA ASP A 21 6.643 2.057 -8.300 1.00 7.70 H new ATOM 0 HB2 ASP A 21 6.901 0.045 -6.113 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.324 0.629 -6.606 1.00 11.00 H new ATOM 339 N THR A 22 5.371 3.719 -6.873 1.00 5.37 N ATOM 340 CA THR A 22 4.543 4.629 -6.073 1.00 6.01 C ATOM 341 C THR A 22 3.623 3.768 -5.254 1.00 8.01 C ATOM 342 O THR A 22 3.334 2.607 -5.549 1.00 8.11 O ATOM 343 CB THR A 22 3.759 5.712 -6.860 1.00 8.92 C ATOM 344 OG1 THR A 22 2.989 5.088 -7.872 1.00 10.22 O ATOM 345 CG2 THR A 22 4.766 6.626 -7.630 1.00 9.65 C ATOM 0 H THR A 22 5.040 3.632 -7.834 1.00 5.37 H new ATOM 0 HA THR A 22 5.214 5.229 -5.458 1.00 6.01 H new ATOM 0 HB THR A 22 3.147 6.271 -6.153 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.580 4.577 -8.464 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.216 7.387 -8.183 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.437 7.108 -6.919 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.348 6.021 -8.325 1.00 9.65 H new ATOM 353 N ILE A 23 3.108 4.392 -4.149 1.00 8.32 N ATOM 354 CA ILE A 23 2.000 3.950 -3.413 1.00 9.92 C ATOM 355 C ILE A 23 0.857 3.596 -4.397 1.00 10.01 C ATOM 356 O ILE A 23 0.271 2.578 -4.360 1.00 8.71 O ATOM 357 CB ILE A 23 1.613 4.953 -2.367 1.00 10.78 C ATOM 358 CG1 ILE A 23 2.717 5.174 -1.295 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.261 4.518 -1.727 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.314 3.953 -0.695 1.00 12.30 C ATOM 0 H ILE A 23 3.511 5.251 -3.775 1.00 8.32 H new ATOM 0 HA ILE A 23 2.246 3.045 -2.858 1.00 9.92 H new ATOM 0 HB ILE A 23 1.492 5.922 -2.852 1.00 10.78 H new ATOM 0 HG12 ILE A 23 3.518 5.759 -1.747 1.00 11.38 H new ATOM 0 HG13 ILE A 23 2.296 5.778 -0.491 1.00 11.38 H new ATOM 0 HG21 ILE A 23 -0.030 5.241 -0.965 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.509 4.474 -2.498 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.374 3.535 -1.270 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.070 4.239 0.037 1.00 12.30 H new ATOM 0 HD12 ILE A 23 2.535 3.371 -0.203 1.00 12.30 H new ATOM 0 HD13 ILE A 23 3.776 3.352 -1.478 1.00 12.30 H new ATOM 372 N GLU A 24 0.578 4.434 -5.453 1.00 9.54 N ATOM 373 CA GLU A 24 -0.351 4.203 -6.545 1.00 11.81 C ATOM 374 C GLU A 24 -0.079 2.886 -7.349 1.00 11.14 C ATOM 375 O GLU A 24 -1.016 2.206 -7.796 1.00 10.62 O ATOM 376 CB GLU A 24 -0.479 5.424 -7.490 1.00 19.24 C ATOM 377 CG GLU A 24 -1.747 5.511 -8.361 1.00 27.76 C ATOM 378 CD GLU A 24 -1.844 6.840 -9.090 1.00 32.92 C ATOM 379 OE1 GLU A 24 -2.119 7.854 -8.411 1.00 36.51 O ATOM 380 OE2 GLU A 24 -1.600 6.853 -10.325 1.00 34.80 O ATOM 0 H GLU A 24 1.042 5.338 -5.540 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.315 4.062 -6.056 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.423 6.328 -6.883 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.387 5.431 -8.152 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.745 4.698 -9.087 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.628 5.376 -7.734 1.00 27.76 H new ATOM 387 N ASN A 25 1.190 2.560 -7.636 1.00 9.43 N ATOM 388 CA ASN A 25 1.598 1.331 -8.317 1.00 10.96 C ATOM 389 C ASN A 25 1.341 0.088 -7.370 1.00 9.68 C ATOM 390 O ASN A 25 0.932 -1.011 -7.764 1.00 9.33 O ATOM 391 CB ASN A 25 3.048 1.281 -8.741 1.00 16.78 C ATOM 392 CG ASN A 25 3.295 2.291 -9.853 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.069 3.213 -9.683 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.601 2.184 -11.008 1.00 24.70 N ATOM 0 H ASN A 25 1.977 3.161 -7.393 1.00 9.43 H new ATOM 0 HA ASN A 25 0.997 1.305 -9.226 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.693 1.499 -7.890 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.302 0.278 -9.085 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.725 2.879 -11.744 1.00 24.70 H new ATOM 0 HD22 ASN A 25 1.953 1.408 -11.144 1.00 24.70 H new ATOM 401 N VAL A 26 1.658 0.294 -6.095 1.00 6.52 N ATOM 402 CA VAL A 26 1.260 -0.704 -5.033 1.00 5.53 C ATOM 403 C VAL A 26 -0.296 -0.911 -5.005 1.00 4.42 C ATOM 404 O VAL A 26 -0.757 -2.034 -4.902 1.00 3.40 O ATOM 405 CB VAL A 26 1.923 -0.334 -3.622 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.574 -1.358 -2.586 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.436 -0.331 -3.834 1.00 8.12 C ATOM 0 H VAL A 26 2.171 1.106 -5.751 1.00 6.52 H new ATOM 0 HA VAL A 26 1.665 -1.684 -5.285 1.00 5.53 H new ATOM 0 HB VAL A 26 1.559 0.633 -3.275 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.035 -1.086 -1.636 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.491 -1.399 -2.465 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.941 -2.335 -2.901 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.934 -0.083 -2.897 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.759 -1.318 -4.167 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.696 0.410 -4.590 1.00 8.12 H new ATOM 417 N LYS A 27 -1.103 0.179 -5.155 1.00 2.64 N ATOM 418 CA LYS A 27 -2.610 0.075 -5.240 1.00 4.14 C ATOM 419 C LYS A 27 -3.108 -0.784 -6.436 1.00 5.58 C ATOM 420 O LYS A 27 -4.038 -1.578 -6.392 1.00 4.11 O ATOM 421 CB LYS A 27 -3.275 1.470 -5.374 1.00 3.97 C ATOM 422 CG LYS A 27 -3.101 2.312 -4.095 1.00 7.45 C ATOM 423 CD LYS A 27 -3.672 3.744 -4.320 1.00 9.02 C ATOM 424 CE LYS A 27 -3.473 4.539 -2.997 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.555 5.539 -2.928 1.00 15.47 N ATOM 0 H LYS A 27 -0.750 1.134 -5.220 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.898 -0.410 -4.307 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.839 2.001 -6.221 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.337 1.348 -5.587 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.615 1.833 -3.261 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -2.046 2.370 -3.828 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.157 4.237 -5.145 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.728 3.699 -4.585 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.510 3.871 -2.136 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.497 5.025 -2.982 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -4.181 6.430 -2.543 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.934 5.706 -3.882 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -5.314 5.187 -2.310 1.00 15.47 H new ATOM 439 N ALA A 28 -2.371 -0.721 -7.558 1.00 6.61 N ATOM 440 CA ALA A 28 -2.759 -1.468 -8.754 1.00 7.74 C ATOM 441 C ALA A 28 -2.612 -3.045 -8.596 1.00 9.17 C ATOM 442 O ALA A 28 -3.433 -3.877 -9.068 1.00 11.45 O ATOM 443 CB ALA A 28 -1.856 -0.944 -9.893 1.00 7.68 C ATOM 0 H ALA A 28 -1.519 -0.169 -7.656 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.818 -1.310 -8.956 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.098 -1.466 -10.819 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.021 0.125 -10.025 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.811 -1.121 -9.639 1.00 7.68 H new ATOM 449 N LYS A 29 -1.564 -3.381 -7.853 1.00 8.96 N ATOM 450 CA LYS A 29 -1.172 -4.694 -7.372 1.00 7.90 C ATOM 451 C LYS A 29 -2.143 -5.300 -6.346 1.00 6.92 C ATOM 452 O LYS A 29 -2.620 -6.461 -6.465 1.00 6.87 O ATOM 453 CB LYS A 29 0.248 -4.532 -6.761 1.00 10.28 C ATOM 454 CG LYS A 29 1.323 -4.289 -7.792 1.00 14.94 C ATOM 455 CD LYS A 29 2.646 -4.171 -7.136 1.00 19.69 C ATOM 456 CE LYS A 29 3.823 -3.764 -8.057 1.00 22.63 C ATOM 457 NZ LYS A 29 4.065 -4.799 -9.092 1.00 24.98 N ATOM 0 H LYS A 29 -0.904 -2.667 -7.544 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.186 -5.396 -8.206 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.238 -3.702 -6.055 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.496 -5.430 -6.194 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.338 -5.107 -8.512 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.103 -3.378 -8.349 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.568 -3.438 -6.333 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.887 -5.128 -6.672 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.603 -2.810 -8.535 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.724 -3.622 -7.461 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.751 -4.441 -9.787 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.443 -5.657 -8.643 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.171 -5.025 -9.572 1.00 24.98 H new ATOM 471 N ILE A 30 -2.679 -4.389 -5.397 1.00 4.57 N ATOM 472 CA ILE A 30 -3.828 -4.665 -4.509 1.00 5.58 C ATOM 473 C ILE A 30 -5.121 -4.788 -5.303 1.00 7.26 C ATOM 474 O ILE A 30 -5.895 -5.653 -4.949 1.00 9.46 O ATOM 475 CB ILE A 30 -3.909 -3.605 -3.443 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.590 -3.697 -2.690 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.087 -3.820 -2.436 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.470 -2.917 -1.314 1.00 2.00 C ATOM 0 H ILE A 30 -2.292 -3.455 -5.263 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.679 -5.626 -4.017 1.00 5.58 H new ATOM 0 HB ILE A 30 -4.089 -2.635 -3.906 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.387 -4.750 -2.497 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.801 -3.336 -3.350 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.084 -3.019 -1.696 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -6.034 -3.812 -2.976 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.965 -4.779 -1.933 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.477 -3.074 -0.892 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.628 -1.852 -1.484 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.222 -3.288 -0.618 1.00 2.00 H new ATOM 490 N GLN A 31 -5.399 -4.014 -6.355 1.00 7.06 N ATOM 491 CA GLN A 31 -6.649 -4.094 -7.110 1.00 8.67 C ATOM 492 C GLN A 31 -6.722 -5.428 -7.895 1.00 10.90 C ATOM 493 O GLN A 31 -7.757 -6.032 -8.104 1.00 9.63 O ATOM 494 CB GLN A 31 -6.763 -2.894 -8.115 1.00 9.12 C ATOM 495 CG GLN A 31 -8.180 -2.712 -8.738 1.00 10.76 C ATOM 496 CD GLN A 31 -8.187 -1.695 -9.888 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.162 -1.057 -10.173 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.321 -1.624 -10.552 1.00 14.76 N ATOM 0 H GLN A 31 -4.755 -3.307 -6.709 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.475 -4.047 -6.401 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.485 -1.975 -7.599 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -6.041 -3.039 -8.919 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.539 -3.674 -9.105 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.875 -2.386 -7.964 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.122 -2.182 -10.255 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.399 -1.011 -11.364 1.00 14.76 H new ATOM 507 N ASP A 32 -5.523 -5.881 -8.378 1.00 10.93 N ATOM 508 CA ASP A 32 -5.424 -7.219 -8.985 1.00 14.01 C ATOM 509 C ASP A 32 -5.670 -8.379 -8.061 1.00 14.04 C ATOM 510 O ASP A 32 -6.286 -9.335 -8.490 1.00 13.39 O ATOM 511 CB ASP A 32 -4.064 -7.335 -9.718 1.00 18.01 C ATOM 512 CG ASP A 32 -4.107 -8.468 -10.682 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.943 -8.471 -11.640 1.00 25.17 O ATOM 514 OD2 ASP A 32 -3.315 -9.400 -10.480 1.00 26.29 O ATOM 0 H ASP A 32 -4.651 -5.352 -8.355 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.250 -7.298 -9.692 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.843 -6.406 -10.244 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.263 -7.490 -8.995 1.00 18.01 H new ATOM 519 N LYS A 33 -5.145 -8.314 -6.868 1.00 14.22 N ATOM 520 CA LYS A 33 -5.402 -9.303 -5.819 1.00 14.00 C ATOM 521 C LYS A 33 -6.821 -9.263 -5.280 1.00 12.37 C ATOM 522 O LYS A 33 -7.462 -10.258 -5.358 1.00 12.17 O ATOM 523 CB LYS A 33 -4.503 -8.964 -4.548 1.00 18.62 C ATOM 524 CG LYS A 33 -2.990 -9.092 -4.879 1.00 24.00 C ATOM 525 CD LYS A 33 -2.341 -10.417 -4.455 1.00 27.61 C ATOM 526 CE LYS A 33 -0.939 -10.477 -4.774 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.434 -11.805 -4.508 1.00 30.06 N ATOM 0 H LYS A 33 -4.515 -7.566 -6.578 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.196 -10.269 -6.280 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.719 -7.952 -4.206 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.757 -9.638 -3.730 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.857 -8.968 -5.954 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.457 -8.273 -4.395 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.471 -10.553 -3.381 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.857 -11.243 -4.946 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.784 -10.222 -5.822 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.390 -9.744 -4.183 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.579 -11.844 -4.740 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.568 -12.032 -3.502 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.949 -12.495 -5.091 1.00 30.06 H new ATOM 541 N GLU A 34 -7.360 -8.071 -4.868 1.00 10.11 N ATOM 542 CA GLU A 34 -8.604 -7.979 -4.072 1.00 10.07 C ATOM 543 C GLU A 34 -9.716 -7.316 -4.762 1.00 9.32 C ATOM 544 O GLU A 34 -10.814 -7.416 -4.235 1.00 11.61 O ATOM 545 CB GLU A 34 -8.209 -7.174 -2.735 1.00 14.77 C ATOM 546 CG GLU A 34 -7.228 -8.000 -1.827 1.00 18.75 C ATOM 547 CD GLU A 34 -8.035 -9.098 -1.230 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.778 -8.838 -0.267 1.00 21.95 O ATOM 549 OE2 GLU A 34 -8.041 -10.255 -1.753 1.00 25.19 O ATOM 0 H GLU A 34 -6.942 -7.166 -5.081 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.975 -8.984 -3.871 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.744 -6.226 -3.005 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.112 -6.937 -2.173 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.400 -8.400 -2.413 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.794 -7.370 -1.050 1.00 18.75 H new ATOM 556 N GLY A 35 -9.563 -6.679 -5.920 1.00 7.22 N ATOM 557 CA GLY A 35 -10.577 -5.899 -6.624 1.00 6.29 C ATOM 558 C GLY A 35 -10.840 -4.438 -6.204 1.00 6.93 C ATOM 559 O GLY A 35 -11.500 -3.672 -6.912 1.00 7.41 O ATOM 0 H GLY A 35 -8.675 -6.695 -6.422 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.308 -5.892 -7.680 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.521 -6.438 -6.539 1.00 6.29 H new ATOM 563 N ILE A 36 -10.235 -3.987 -5.067 1.00 5.86 N ATOM 564 CA ILE A 36 -10.488 -2.676 -4.503 1.00 6.07 C ATOM 565 C ILE A 36 -10.147 -1.423 -5.403 1.00 6.36 C ATOM 566 O ILE A 36 -8.949 -1.410 -5.723 1.00 6.18 O ATOM 567 CB ILE A 36 -9.750 -2.558 -3.185 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.041 -3.750 -2.238 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.112 -1.278 -2.458 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.877 -3.908 -1.203 1.00 9.49 C ATOM 0 H ILE A 36 -9.563 -4.540 -4.535 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.572 -2.635 -4.393 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.690 -2.555 -3.441 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.984 -3.588 -1.715 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.151 -4.667 -2.817 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.564 -1.227 -1.517 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.849 -0.421 -3.078 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.183 -1.265 -2.256 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.090 -4.748 -0.542 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.942 -4.091 -1.732 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.788 -2.995 -0.614 1.00 9.49 H new ATOM 582 N PRO A 37 -10.891 -0.379 -5.801 1.00 8.65 N ATOM 583 CA PRO A 37 -10.437 0.808 -6.528 1.00 9.18 C ATOM 584 C PRO A 37 -9.281 1.568 -5.867 1.00 9.85 C ATOM 585 O PRO A 37 -9.395 1.731 -4.667 1.00 8.51 O ATOM 586 CB PRO A 37 -11.665 1.710 -6.525 1.00 11.42 C ATOM 587 CG PRO A 37 -12.748 0.625 -6.727 1.00 9.27 C ATOM 588 CD PRO A 37 -12.376 -0.496 -5.796 1.00 8.33 C ATOM 0 HA PRO A 37 -10.056 0.516 -7.507 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.785 2.258 -5.591 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.650 2.447 -7.328 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.740 1.013 -6.496 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.772 0.283 -7.762 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.798 -0.364 -4.800 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.716 -1.466 -6.160 1.00 8.33 H new ATOM 596 N PRO A 38 -8.242 2.051 -6.526 1.00 8.71 N ATOM 597 CA PRO A 38 -7.173 2.863 -5.943 1.00 9.08 C ATOM 598 C PRO A 38 -7.696 4.121 -5.193 1.00 9.28 C ATOM 599 O PRO A 38 -7.218 4.461 -4.117 1.00 6.50 O ATOM 600 CB PRO A 38 -6.244 3.068 -7.148 1.00 10.31 C ATOM 601 CG PRO A 38 -6.168 1.777 -7.873 1.00 10.81 C ATOM 602 CD PRO A 38 -7.660 1.235 -7.590 1.00 12.00 C ATOM 0 HA PRO A 38 -6.629 2.406 -5.117 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.628 3.852 -7.800 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.253 3.383 -6.820 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.961 1.903 -8.936 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.398 1.116 -7.475 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.266 1.298 -8.494 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.635 0.186 -7.295 1.00 12.00 H new ATOM 610 N ASP A 39 -8.820 4.737 -5.654 1.00 11.20 N ATOM 611 CA ASP A 39 -9.405 5.913 -4.973 1.00 14.96 C ATOM 612 C ASP A 39 -9.923 5.512 -3.544 1.00 13.99 C ATOM 613 O ASP A 39 -10.003 6.294 -2.623 1.00 13.75 O ATOM 614 CB ASP A 39 -10.565 6.387 -5.892 1.00 24.16 C ATOM 615 CG ASP A 39 -11.195 7.669 -5.349 1.00 31.06 C ATOM 616 OD1 ASP A 39 -10.581 8.746 -5.312 1.00 35.55 O ATOM 617 OD2 ASP A 39 -12.414 7.619 -4.903 1.00 34.22 O ATOM 0 H ASP A 39 -9.330 4.438 -6.485 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.677 6.710 -4.820 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.189 6.559 -6.901 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.322 5.606 -5.963 1.00 24.16 H new ATOM 622 N GLN A 40 -10.268 4.209 -3.311 1.00 11.60 N ATOM 623 CA GLN A 40 -10.817 3.760 -2.074 1.00 10.76 C ATOM 624 C GLN A 40 -9.732 3.375 -1.102 1.00 8.01 C ATOM 625 O GLN A 40 -9.881 3.437 0.108 1.00 8.96 O ATOM 626 CB GLN A 40 -11.734 2.470 -2.234 1.00 11.14 C ATOM 627 CG GLN A 40 -12.453 1.979 -0.958 1.00 14.85 C ATOM 628 CD GLN A 40 -13.256 0.688 -1.220 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.686 0.539 -2.482 1.00 20.52 O flip ATOM 630 NE2 GLN A 40 -13.554 -0.126 -0.322 1.00 18.16 N flip ATOM 0 H GLN A 40 -10.157 3.469 -4.004 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.409 4.601 -1.713 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.488 2.678 -2.993 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.116 1.656 -2.613 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -11.719 1.799 -0.173 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.123 2.758 -0.595 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -13.211 0.015 0.628 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.140 -0.932 -0.538 1.00 18.16 H new ATOM 639 N GLN A 41 -8.623 2.912 -1.649 1.00 6.52 N ATOM 640 CA GLN A 41 -7.377 2.605 -1.010 1.00 3.87 C ATOM 641 C GLN A 41 -6.625 3.768 -0.336 1.00 4.79 C ATOM 642 O GLN A 41 -6.445 4.801 -0.974 1.00 6.34 O ATOM 643 CB GLN A 41 -6.402 1.801 -1.949 1.00 4.20 C ATOM 644 CG GLN A 41 -7.046 0.436 -2.527 1.00 3.20 C ATOM 645 CD GLN A 41 -5.984 -0.385 -3.258 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.836 -0.526 -2.783 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.410 -0.949 -4.439 1.00 7.13 N ATOM 0 H GLN A 41 -8.579 2.727 -2.651 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.704 1.977 -0.181 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.107 2.437 -2.784 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.494 1.560 -1.396 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.469 -0.149 -1.710 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.865 0.672 -3.207 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.363 -0.790 -4.765 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.772 -1.526 -4.988 1.00 7.13 H new ATOM 656 N ARG A 42 -6.073 3.511 0.873 1.00 5.73 N ATOM 657 CA ARG A 42 -5.106 4.361 1.545 1.00 6.97 C ATOM 658 C ARG A 42 -4.136 3.342 2.199 1.00 7.15 C ATOM 659 O ARG A 42 -4.485 2.298 2.651 1.00 7.33 O ATOM 660 CB ARG A 42 -5.739 5.255 2.609 1.00 13.23 C ATOM 661 CG ARG A 42 -6.702 6.294 2.006 1.00 21.27 C ATOM 662 CD ARG A 42 -7.147 7.277 3.099 1.00 26.14 C ATOM 663 NE ARG A 42 -8.076 8.338 2.386 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.943 9.138 3.058 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.680 8.679 4.067 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.146 10.399 2.677 1.00 36.39 N ATOM 0 H ARG A 42 -6.306 2.676 1.411 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.626 5.054 0.854 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.279 4.636 3.325 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.953 5.770 3.162 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.211 6.833 1.196 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.570 5.794 1.576 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.686 6.759 3.893 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.287 7.761 3.561 1.00 26.14 H new ATOM 0 HE ARG A 42 -8.022 8.426 1.371 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.601 7.703 4.353 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.323 9.303 4.554 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.647 10.775 1.871 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.801 10.988 3.192 1.00 36.39 H new ATOM 680 N LEU A 43 -2.844 3.780 2.328 1.00 4.65 N ATOM 681 CA LEU A 43 -1.769 2.896 2.712 1.00 3.51 C ATOM 682 C LEU A 43 -0.975 3.467 3.919 1.00 5.56 C ATOM 683 O LEU A 43 -0.783 4.700 3.951 1.00 4.19 O ATOM 684 CB LEU A 43 -0.919 2.604 1.483 1.00 3.74 C ATOM 685 CG LEU A 43 0.040 1.389 1.571 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.610 0.084 1.963 1.00 9.55 C ATOM 687 CD2 LEU A 43 0.704 1.087 0.198 1.00 6.41 C ATOM 0 H LEU A 43 -2.554 4.744 2.165 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.161 1.944 3.070 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -1.588 2.449 0.636 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.325 3.491 1.262 1.00 3.74 H new ATOM 0 HG LEU A 43 0.745 1.701 2.342 1.00 6.32 H new ATOM 0 HD11 LEU A 43 0.144 -0.702 1.996 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -1.070 0.187 2.946 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -1.374 -0.177 1.230 1.00 9.55 H new ATOM 0 HD21 LEU A 43 1.370 0.230 0.297 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.068 0.864 -0.538 1.00 6.41 H new ATOM 0 HD23 LEU A 43 1.277 1.955 -0.128 1.00 6.41 H new ATOM 699 N ILE A 44 -0.524 2.606 4.839 1.00 4.58 N ATOM 700 CA ILE A 44 -0.152 2.907 6.150 1.00 5.55 C ATOM 701 C ILE A 44 1.176 2.227 6.446 1.00 5.46 C ATOM 702 O ILE A 44 1.469 1.102 6.046 1.00 6.04 O ATOM 703 CB ILE A 44 -1.249 2.541 7.097 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.615 3.182 6.886 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.822 2.790 8.576 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.707 4.663 7.219 1.00 13.90 C ATOM 0 H ILE A 44 -0.416 1.614 4.629 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.002 3.979 6.281 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.391 1.484 6.871 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.904 3.044 5.844 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.345 2.646 7.493 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.640 2.515 9.242 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.054 2.185 8.808 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.582 3.844 8.713 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.721 5.016 7.032 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.457 4.816 8.269 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.009 5.220 6.595 1.00 13.90 H new ATOM 718 N PHE A 45 2.121 2.906 7.100 1.00 6.75 N ATOM 719 CA PHE A 45 3.247 2.170 7.695 1.00 4.70 C ATOM 720 C PHE A 45 3.513 2.623 9.121 1.00 6.34 C ATOM 721 O PHE A 45 3.873 3.743 9.469 1.00 5.45 O ATOM 722 CB PHE A 45 4.499 2.452 6.808 1.00 5.51 C ATOM 723 CG PHE A 45 5.701 1.639 7.243 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.940 0.302 6.920 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.701 2.332 7.952 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.143 -0.319 7.290 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.913 1.711 8.340 1.00 6.64 C ATOM 728 CZ PHE A 45 8.089 0.351 8.043 1.00 6.84 C ATOM 0 H PHE A 45 2.137 3.918 7.230 1.00 6.75 H new ATOM 0 HA PHE A 45 3.016 1.105 7.733 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.265 2.224 5.768 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.744 3.513 6.854 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.192 -0.260 6.380 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.539 3.369 8.208 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.333 -1.336 6.982 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.682 2.270 8.852 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.963 -0.172 8.402 1.00 6.84 H new ATOM 738 N ALA A 46 3.415 1.687 10.057 1.00 6.53 N ATOM 739 CA ALA A 46 3.616 1.837 11.492 1.00 7.15 C ATOM 740 C ALA A 46 2.775 2.958 12.113 1.00 9.00 C ATOM 741 O ALA A 46 3.198 3.737 13.002 1.00 11.15 O ATOM 742 CB ALA A 46 5.108 1.912 11.892 1.00 8.99 C ATOM 0 H ALA A 46 3.174 0.727 9.812 1.00 6.53 H new ATOM 0 HA ALA A 46 3.237 0.914 11.930 1.00 7.15 H new ATOM 0 HB1 ALA A 46 5.190 2.023 12.973 1.00 8.99 H new ATOM 0 HB2 ALA A 46 5.614 0.998 11.582 1.00 8.99 H new ATOM 0 HB3 ALA A 46 5.573 2.768 11.403 1.00 8.99 H new ATOM 748 N GLY A 47 1.550 3.102 11.574 1.00 9.35 N ATOM 749 CA GLY A 47 0.585 4.092 11.896 1.00 11.68 C ATOM 750 C GLY A 47 0.738 5.410 11.153 1.00 11.14 C ATOM 751 O GLY A 47 -0.103 6.275 11.286 1.00 13.93 O ATOM 0 H GLY A 47 1.214 2.466 10.851 1.00 9.35 H new ATOM 0 HA2 GLY A 47 -0.407 3.690 11.690 1.00 11.68 H new ATOM 0 HA3 GLY A 47 0.633 4.289 12.967 1.00 11.68 H new ATOM 755 N LYS A 48 1.735 5.616 10.254 1.00 10.47 N ATOM 756 CA LYS A 48 1.933 6.753 9.413 1.00 8.82 C ATOM 757 C LYS A 48 1.255 6.556 8.102 1.00 7.68 C ATOM 758 O LYS A 48 1.270 5.457 7.565 1.00 6.47 O ATOM 759 CB LYS A 48 3.450 6.917 9.124 1.00 9.74 C ATOM 760 CG LYS A 48 3.951 8.101 8.223 1.00 14.14 C ATOM 761 CD LYS A 48 5.463 8.153 8.025 1.00 16.32 C ATOM 762 CE LYS A 48 5.902 9.218 7.028 1.00 20.04 C ATOM 763 NZ LYS A 48 7.332 9.544 7.370 1.00 23.92 N ATOM 0 H LYS A 48 2.463 4.915 10.112 1.00 10.47 H new ATOM 0 HA LYS A 48 1.526 7.628 9.921 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.956 7.004 10.085 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.795 5.991 8.665 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.472 8.025 7.247 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.623 9.041 8.666 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.942 8.344 8.985 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.812 7.179 7.683 1.00 16.32 H new ATOM 0 HE2 LYS A 48 5.820 8.852 6.005 1.00 20.04 H new ATOM 0 HE3 LYS A 48 5.272 10.104 7.101 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 7.688 10.271 6.717 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.383 9.900 8.346 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.914 8.686 7.283 1.00 23.92 H new ATOM 777 N GLN A 49 0.590 7.553 7.602 1.00 8.89 N ATOM 778 CA GLN A 49 0.001 7.579 6.249 1.00 7.18 C ATOM 779 C GLN A 49 0.995 7.807 5.117 1.00 8.23 C ATOM 780 O GLN A 49 1.841 8.650 5.156 1.00 9.70 O ATOM 781 CB GLN A 49 -1.160 8.642 6.267 1.00 11.67 C ATOM 782 CG GLN A 49 -1.931 8.686 7.556 1.00 15.82 C ATOM 783 CD GLN A 49 -3.273 9.457 7.412 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.302 8.811 7.572 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.122 10.825 7.304 1.00 20.67 N ATOM 0 H GLN A 49 0.423 8.413 8.124 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.385 6.586 6.021 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -0.738 9.628 6.075 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.849 8.425 5.451 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.133 7.669 7.892 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -1.322 9.161 8.325 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.194 11.227 7.172 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -3.939 11.434 7.357 1.00 20.67 H new ATOM 794 N LEU A 50 0.836 7.067 3.950 1.00 6.51 N ATOM 795 CA LEU A 50 1.783 7.200 2.893 1.00 7.41 C ATOM 796 C LEU A 50 1.040 7.784 1.703 1.00 8.27 C ATOM 797 O LEU A 50 -0.024 7.330 1.349 1.00 8.34 O ATOM 798 CB LEU A 50 2.302 5.770 2.489 1.00 7.13 C ATOM 799 CG LEU A 50 2.701 4.832 3.656 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.363 3.587 3.129 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.687 5.470 4.679 1.00 9.11 C ATOM 0 H LEU A 50 0.074 6.412 3.773 1.00 6.51 H new ATOM 0 HA LEU A 50 2.621 7.828 3.196 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.526 5.277 1.903 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.166 5.891 1.836 1.00 7.13 H new ATOM 0 HG LEU A 50 1.764 4.616 4.169 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.637 2.940 3.962 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.673 3.059 2.471 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.259 3.860 2.572 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.915 4.748 5.463 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.607 5.754 4.169 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.230 6.355 5.122 1.00 9.11 H new ATOM 813 N GLU A 51 1.510 8.878 1.121 1.00 9.43 N ATOM 814 CA GLU A 51 0.915 9.517 0.032 1.00 11.90 C ATOM 815 C GLU A 51 1.046 8.782 -1.276 1.00 11.49 C ATOM 816 O GLU A 51 2.099 8.170 -1.689 1.00 9.88 O ATOM 817 CB GLU A 51 1.462 10.966 -0.064 1.00 16.56 C ATOM 818 CG GLU A 51 0.912 11.841 1.065 1.00 26.06 C ATOM 819 CD GLU A 51 1.431 13.235 0.968 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.665 13.446 1.051 1.00 32.13 O ATOM 821 OE2 GLU A 51 0.680 14.131 0.556 1.00 33.44 O ATOM 0 H GLU A 51 2.362 9.341 1.437 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.159 9.532 0.218 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.551 10.950 -0.018 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.190 11.397 -1.027 1.00 16.56 H new ATOM 0 HG2 GLU A 51 -0.177 11.852 1.023 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.189 11.413 2.028 1.00 26.06 H new ATOM 828 N ASP A 52 -0.072 8.812 -2.057 1.00 12.71 N ATOM 829 CA ASP A 52 -0.354 8.104 -3.206 1.00 16.56 C ATOM 830 C ASP A 52 0.619 8.328 -4.346 1.00 15.83 C ATOM 831 O ASP A 52 1.126 7.345 -4.902 1.00 17.21 O ATOM 832 CB ASP A 52 -1.787 8.443 -3.708 1.00 21.05 C ATOM 833 CG ASP A 52 -2.833 8.527 -2.575 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.991 7.519 -1.813 1.00 28.37 O ATOM 835 OD2 ASP A 52 -3.531 9.564 -2.430 1.00 25.82 O ATOM 0 H ASP A 52 -0.849 9.426 -1.811 1.00 12.71 H new ATOM 0 HA ASP A 52 -0.265 7.056 -2.918 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.762 9.394 -4.239 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -2.101 7.685 -4.426 1.00 21.05 H new ATOM 840 N GLY A 53 0.986 9.619 -4.544 1.00 15.00 N ATOM 841 CA GLY A 53 1.938 10.087 -5.515 1.00 11.77 C ATOM 842 C GLY A 53 3.375 9.955 -5.141 1.00 11.10 C ATOM 843 O GLY A 53 4.192 10.560 -5.796 1.00 11.25 O ATOM 0 H GLY A 53 0.592 10.379 -3.990 1.00 15.00 H new ATOM 0 HA2 GLY A 53 1.774 9.543 -6.446 1.00 11.77 H new ATOM 0 HA3 GLY A 53 1.732 11.138 -5.719 1.00 11.77 H new ATOM 847 N ARG A 54 3.786 9.356 -4.010 1.00 8.53 N ATOM 848 CA ARG A 54 5.177 9.232 -3.540 1.00 9.05 C ATOM 849 C ARG A 54 5.655 7.837 -3.711 1.00 8.96 C ATOM 850 O ARG A 54 4.910 6.924 -3.767 1.00 11.60 O ATOM 851 CB ARG A 54 5.228 9.566 -2.045 1.00 7.97 C ATOM 852 CG ARG A 54 4.569 10.896 -1.674 1.00 9.62 C ATOM 853 CD ARG A 54 5.197 12.235 -2.037 1.00 12.20 C ATOM 854 NE ARG A 54 4.265 13.293 -1.471 1.00 18.23 N ATOM 855 CZ ARG A 54 3.565 14.243 -2.126 1.00 22.08 C ATOM 856 NH1 ARG A 54 3.855 14.528 -3.388 1.00 25.50 N ATOM 857 NH2 ARG A 54 2.592 14.880 -1.501 1.00 23.38 N ATOM 0 H ARG A 54 3.124 8.923 -3.366 1.00 8.53 H new ATOM 0 HA ARG A 54 5.804 9.912 -4.117 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.741 8.765 -1.489 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.270 9.588 -1.725 1.00 7.97 H new ATOM 0 HG2 ARG A 54 3.572 10.887 -2.114 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.440 10.892 -0.592 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.197 12.326 -1.613 1.00 12.20 H new ATOM 0 HD3 ARG A 54 5.298 12.340 -3.117 1.00 12.20 H new ATOM 0 HE ARG A 54 4.153 13.284 -0.457 1.00 18.23 H new ATOM 0 HH11 ARG A 54 4.607 14.029 -3.864 1.00 25.50 H new ATOM 0 HH12 ARG A 54 3.326 15.246 -3.883 1.00 25.50 H new ATOM 0 HH21 ARG A 54 2.374 14.653 -0.531 1.00 23.38 H new ATOM 0 HH22 ARG A 54 2.058 15.599 -1.988 1.00 23.38 H new ATOM 871 N THR A 55 6.967 7.612 -3.837 1.00 9.05 N ATOM 872 CA THR A 55 7.574 6.330 -3.958 1.00 9.03 C ATOM 873 C THR A 55 8.061 5.705 -2.681 1.00 8.15 C ATOM 874 O THR A 55 8.312 6.315 -1.666 1.00 5.91 O ATOM 875 CB THR A 55 8.695 6.224 -4.979 1.00 11.15 C ATOM 876 OG1 THR A 55 9.786 7.091 -4.683 1.00 11.95 O ATOM 877 CG2 THR A 55 8.365 6.682 -6.383 1.00 11.71 C ATOM 0 H THR A 55 7.647 8.372 -3.856 1.00 9.05 H new ATOM 0 HA THR A 55 6.712 5.767 -4.315 1.00 9.03 H new ATOM 0 HB THR A 55 8.902 5.155 -4.926 1.00 11.15 H new ATOM 0 HG1 THR A 55 9.499 7.768 -4.035 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.240 6.559 -7.021 1.00 11.71 H new ATOM 0 HG22 THR A 55 7.543 6.085 -6.777 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.074 7.732 -6.364 1.00 11.71 H new ATOM 885 N LEU A 56 8.243 4.422 -2.661 1.00 6.91 N ATOM 886 CA LEU A 56 8.752 3.627 -1.565 1.00 8.29 C ATOM 887 C LEU A 56 10.156 4.068 -1.175 1.00 8.05 C ATOM 888 O LEU A 56 10.530 4.082 -0.019 1.00 10.17 O ATOM 889 CB LEU A 56 8.735 2.134 -1.963 1.00 6.60 C ATOM 890 CG LEU A 56 7.342 1.353 -2.134 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.363 0.062 -2.981 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.550 1.173 -0.859 1.00 8.64 C ATOM 0 H LEU A 56 8.024 3.847 -3.474 1.00 6.91 H new ATOM 0 HA LEU A 56 8.111 3.772 -0.695 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.271 2.047 -2.908 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.317 1.595 -1.215 1.00 6.60 H new ATOM 0 HG LEU A 56 6.796 2.070 -2.748 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.361 -0.366 -3.017 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.694 0.296 -3.993 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.049 -0.657 -2.532 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.627 0.635 -1.077 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.141 0.604 -0.141 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.310 2.150 -0.439 1.00 8.64 H new ATOM 904 N SER A 57 10.988 4.442 -2.136 1.00 8.92 N ATOM 905 CA SER A 57 12.317 5.107 -1.905 1.00 9.00 C ATOM 906 C SER A 57 12.105 6.406 -1.083 1.00 9.44 C ATOM 907 O SER A 57 12.816 6.619 -0.136 1.00 10.91 O ATOM 908 CB SER A 57 13.022 5.523 -3.193 1.00 10.32 C ATOM 909 OG SER A 57 13.232 4.365 -3.996 1.00 13.59 O ATOM 0 H SER A 57 10.780 4.301 -3.125 1.00 8.92 H new ATOM 0 HA SER A 57 12.933 4.371 -1.389 1.00 9.00 H new ATOM 0 HB2 SER A 57 12.420 6.253 -3.734 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.974 6.002 -2.964 1.00 10.32 H new ATOM 0 HG SER A 57 13.683 4.621 -4.828 1.00 13.59 H new ATOM 915 N ASP A 58 11.113 7.292 -1.311 1.00 9.11 N ATOM 916 CA ASP A 58 10.956 8.633 -0.643 1.00 7.91 C ATOM 917 C ASP A 58 10.651 8.493 0.821 1.00 9.12 C ATOM 918 O ASP A 58 11.093 9.193 1.733 1.00 8.61 O ATOM 919 CB ASP A 58 9.845 9.523 -1.284 1.00 8.41 C ATOM 920 CG ASP A 58 10.029 9.778 -2.735 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.087 10.333 -3.076 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.200 9.352 -3.554 1.00 11.70 O ATOM 0 H ASP A 58 10.369 7.103 -1.982 1.00 9.11 H new ATOM 0 HA ASP A 58 11.919 9.124 -0.786 1.00 7.91 H new ATOM 0 HB2 ASP A 58 8.878 9.044 -1.131 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.814 10.478 -0.760 1.00 8.41 H new ATOM 927 N TYR A 59 9.872 7.454 1.200 1.00 7.97 N ATOM 928 CA TYR A 59 9.669 7.039 2.554 1.00 8.45 C ATOM 929 C TYR A 59 10.671 5.958 3.041 1.00 10.98 C ATOM 930 O TYR A 59 10.678 5.445 4.223 1.00 12.95 O ATOM 931 CB TYR A 59 8.251 6.436 2.708 1.00 7.94 C ATOM 932 CG TYR A 59 7.186 7.361 2.442 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.017 8.533 3.247 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.199 7.093 1.447 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.897 9.380 3.109 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.198 8.020 1.194 1.00 6.52 C ATOM 937 CZ TYR A 59 5.035 9.148 2.058 1.00 6.76 C ATOM 938 OH TYR A 59 3.998 10.072 1.872 1.00 7.63 O ATOM 0 H TYR A 59 9.363 6.880 0.528 1.00 7.97 H new ATOM 0 HA TYR A 59 9.814 7.936 3.155 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.155 5.585 2.034 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.140 6.053 3.722 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.770 8.776 3.982 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.231 6.168 0.890 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.720 10.186 3.806 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.543 7.890 0.345 1.00 6.52 H new ATOM 0 HH TYR A 59 4.377 10.961 1.712 1.00 7.63 H new ATOM 948 N ASN A 60 11.635 5.445 2.244 1.00 12.38 N ATOM 949 CA ASN A 60 12.613 4.416 2.598 1.00 13.94 C ATOM 950 C ASN A 60 12.072 3.045 3.062 1.00 14.16 C ATOM 951 O ASN A 60 12.505 2.512 4.095 1.00 14.26 O ATOM 952 CB ASN A 60 13.814 4.910 3.434 1.00 19.23 C ATOM 953 CG ASN A 60 14.364 6.211 2.948 1.00 22.65 C ATOM 954 OD1 ASN A 60 15.052 6.226 1.933 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.041 7.382 3.525 1.00 24.09 N ATOM 0 H ASN A 60 11.750 5.763 1.282 1.00 12.38 H new ATOM 0 HA ASN A 60 13.011 4.192 1.608 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.507 5.017 4.474 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.601 4.157 3.410 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.367 8.258 3.118 1.00 24.09 H new ATOM 0 HD22 ASN A 60 13.470 7.394 4.370 1.00 24.09 H new ATOM 962 N ILE A 61 11.136 2.434 2.306 1.00 11.08 N ATOM 963 CA ILE A 61 10.471 1.237 2.722 1.00 11.78 C ATOM 964 C ILE A 61 11.196 0.019 2.141 1.00 13.74 C ATOM 965 O ILE A 61 11.326 -0.093 0.922 1.00 14.60 O ATOM 966 CB ILE A 61 8.975 1.345 2.368 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.313 2.259 3.380 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.233 0.020 2.308 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.991 2.803 2.887 1.00 11.42 C ATOM 0 H ILE A 61 10.838 2.778 1.393 1.00 11.08 H new ATOM 0 HA ILE A 61 10.510 1.103 3.803 1.00 11.78 H new ATOM 0 HB ILE A 61 8.921 1.745 1.356 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.154 1.713 4.310 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.982 3.089 3.608 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.189 0.199 2.052 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.688 -0.618 1.550 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.289 -0.473 3.279 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.558 3.452 3.648 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.151 3.374 1.972 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.310 1.976 2.685 1.00 11.42 H new ATOM 981 N GLN A 62 11.705 -0.884 3.010 1.00 13.97 N ATOM 982 CA GLN A 62 12.655 -1.919 2.607 1.00 15.52 C ATOM 983 C GLN A 62 12.067 -3.265 2.494 1.00 13.94 C ATOM 984 O GLN A 62 11.052 -3.623 3.063 1.00 12.15 O ATOM 985 CB GLN A 62 13.765 -2.044 3.661 1.00 19.53 C ATOM 986 CG GLN A 62 14.565 -0.702 3.906 1.00 26.38 C ATOM 987 CD GLN A 62 15.757 -1.005 4.728 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.673 -1.376 5.907 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.928 -0.847 4.186 1.00 32.71 N ATOM 0 H GLN A 62 11.464 -0.907 4.001 1.00 13.97 H new ATOM 0 HA GLN A 62 13.016 -1.602 1.629 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.324 -2.371 4.603 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.463 -2.821 3.350 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.864 -0.261 2.955 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.933 0.028 4.411 1.00 26.38 H new ATOM 0 HE21 GLN A 62 17.004 -0.542 3.216 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.771 -1.028 4.731 1.00 32.71 H new ATOM 998 N LYS A 63 12.787 -4.133 1.812 1.00 11.73 N ATOM 999 CA LYS A 63 12.582 -5.603 1.671 1.00 11.97 C ATOM 1000 C LYS A 63 11.914 -6.354 2.836 1.00 10.41 C ATOM 1001 O LYS A 63 12.307 -6.202 4.028 1.00 9.59 O ATOM 1002 CB LYS A 63 13.975 -6.263 1.342 1.00 13.73 C ATOM 1003 CG LYS A 63 13.806 -7.830 1.141 1.00 16.98 C ATOM 1004 CD LYS A 63 15.195 -8.346 0.569 1.00 20.19 C ATOM 1005 CE LYS A 63 15.238 -9.834 0.495 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.477 -10.273 -0.044 1.00 25.97 N ATOM 0 H LYS A 63 13.607 -3.825 1.289 1.00 11.73 H new ATOM 0 HA LYS A 63 11.850 -5.702 0.869 1.00 11.97 H new ATOM 0 HB2 LYS A 63 14.393 -5.816 0.440 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.679 -6.067 2.151 1.00 13.73 H new ATOM 0 HG2 LYS A 63 13.565 -8.321 2.084 1.00 16.98 H new ATOM 0 HG3 LYS A 63 12.993 -8.050 0.450 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.359 -7.927 -0.424 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.006 -7.989 1.204 1.00 20.19 H new ATOM 0 HE2 LYS A 63 15.098 -10.257 1.490 1.00 23.42 H new ATOM 0 HE3 LYS A 63 14.417 -10.196 -0.124 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 16.488 -11.312 -0.088 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.596 -9.885 -1.002 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.255 -9.944 0.562 1.00 25.97 H new ATOM 1020 N GLU A 64 10.779 -7.082 2.600 1.00 10.04 N ATOM 1021 CA GLU A 64 10.027 -7.901 3.582 1.00 10.94 C ATOM 1022 C GLU A 64 9.300 -7.041 4.532 1.00 9.74 C ATOM 1023 O GLU A 64 8.832 -7.485 5.606 1.00 9.42 O ATOM 1024 CB GLU A 64 10.773 -9.065 4.311 1.00 18.31 C ATOM 1025 CG GLU A 64 11.253 -10.009 3.226 1.00 24.16 C ATOM 1026 CD GLU A 64 11.870 -11.268 3.714 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.649 -11.182 4.673 1.00 32.61 O ATOM 1028 OE2 GLU A 64 11.666 -12.390 3.158 1.00 31.72 O ATOM 0 H GLU A 64 10.351 -7.109 1.675 1.00 10.04 H new ATOM 0 HA GLU A 64 9.334 -8.453 2.948 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.612 -8.684 4.894 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.108 -9.578 5.006 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.408 -10.261 2.586 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.978 -9.484 2.604 1.00 24.16 H new ATOM 1035 N SER A 65 9.048 -5.745 4.274 1.00 6.85 N ATOM 1036 CA SER A 65 8.409 -4.834 5.239 1.00 6.90 C ATOM 1037 C SER A 65 6.924 -5.205 5.344 1.00 4.72 C ATOM 1038 O SER A 65 6.223 -5.638 4.430 1.00 3.91 O ATOM 1039 CB SER A 65 8.454 -3.338 4.775 1.00 7.28 C ATOM 1040 OG SER A 65 9.748 -2.805 5.087 1.00 10.56 O ATOM 0 H SER A 65 9.283 -5.299 3.387 1.00 6.85 H new ATOM 0 HA SER A 65 8.948 -4.935 6.181 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.263 -3.267 3.704 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.676 -2.762 5.276 1.00 7.28 H new ATOM 0 HG SER A 65 10.271 -2.713 4.263 1.00 10.56 H new ATOM 1046 N THR A 66 6.348 -4.758 6.487 1.00 4.48 N ATOM 1047 CA THR A 66 4.927 -4.944 6.807 1.00 3.80 C ATOM 1048 C THR A 66 4.294 -3.596 6.676 1.00 4.60 C ATOM 1049 O THR A 66 4.573 -2.680 7.451 1.00 5.33 O ATOM 1050 CB THR A 66 4.717 -5.331 8.284 1.00 2.85 C ATOM 1051 OG1 THR A 66 5.236 -6.644 8.585 1.00 2.15 O ATOM 1052 CG2 THR A 66 3.199 -5.426 8.692 1.00 3.40 C ATOM 0 H THR A 66 6.865 -4.258 7.210 1.00 4.48 H new ATOM 0 HA THR A 66 4.520 -5.718 6.157 1.00 3.80 H new ATOM 0 HB THR A 66 5.233 -4.538 8.825 1.00 2.85 H new ATOM 0 HG1 THR A 66 5.083 -6.847 9.531 1.00 2.15 H new ATOM 0 HG21 THR A 66 3.121 -5.702 9.744 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.719 -4.460 8.534 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.705 -6.181 8.081 1.00 3.40 H new ATOM 1060 N LEU A 67 3.352 -3.467 5.718 1.00 4.17 N ATOM 1061 CA LEU A 67 2.576 -2.331 5.534 1.00 3.85 C ATOM 1062 C LEU A 67 1.157 -2.600 5.972 1.00 3.80 C ATOM 1063 O LEU A 67 0.736 -3.732 6.137 1.00 5.54 O ATOM 1064 CB LEU A 67 2.668 -1.843 4.006 1.00 7.18 C ATOM 1065 CG LEU A 67 4.000 -1.173 3.485 1.00 9.67 C ATOM 1066 CD1 LEU A 67 5.180 -2.134 3.470 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.700 -0.529 2.114 1.00 11.66 C ATOM 0 H LEU A 67 3.141 -4.209 5.051 1.00 4.17 H new ATOM 0 HA LEU A 67 2.956 -1.518 6.153 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.468 -2.708 3.374 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.858 -1.133 3.840 1.00 7.18 H new ATOM 0 HG LEU A 67 4.320 -0.394 4.177 1.00 9.67 H new ATOM 0 HD11 LEU A 67 6.066 -1.616 3.103 1.00 8.12 H new ATOM 0 HD12 LEU A 67 5.365 -2.498 4.480 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.955 -2.976 2.816 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.604 -0.057 1.728 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.366 -1.297 1.417 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.919 0.222 2.228 1.00 11.66 H new ATOM 1079 N HIS A 68 0.346 -1.541 6.234 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.027 -1.641 6.721 1.00 4.17 C ATOM 1081 C HIS A 68 -2.006 -0.964 5.739 1.00 5.32 C ATOM 1082 O HIS A 68 -1.819 0.125 5.277 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.231 -0.991 8.139 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.819 -1.950 9.249 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.518 -2.409 9.405 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.515 -2.475 10.314 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.553 -3.185 10.573 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.702 -3.293 11.135 1.00 16.30 N ATOM 0 H HIS A 68 0.651 -0.576 6.104 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.231 -2.709 6.800 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.644 -0.075 8.210 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.277 -0.711 8.266 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -2.561 -2.285 10.502 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.445 -3.638 10.979 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -0.980 -3.836 11.952 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.132 -1.624 5.331 1.00 5.29 N ATOM 1097 CA LEU A 69 -3.981 -1.140 4.315 1.00 3.97 C ATOM 1098 C LEU A 69 -5.307 -0.741 4.928 1.00 5.07 C ATOM 1099 O LEU A 69 -6.088 -1.574 5.426 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.285 -2.245 3.197 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.301 -1.821 2.035 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -4.612 -0.758 1.087 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.830 -3.002 1.153 1.00 9.96 C ATOM 0 H LEU A 69 -3.436 -2.511 5.732 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.474 -0.296 3.847 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.340 -2.534 2.736 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.682 -3.131 3.692 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.168 -1.410 2.552 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.306 -0.471 0.297 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.338 0.123 1.667 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -3.716 -1.193 0.643 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.511 -2.614 0.395 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.990 -3.497 0.666 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.358 -3.718 1.783 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.583 0.565 5.020 1.00 4.29 N ATOM 1116 CA VAL A 70 -6.932 1.191 5.348 1.00 6.26 C ATOM 1117 C VAL A 70 -7.716 1.597 4.142 1.00 9.22 C ATOM 1118 O VAL A 70 -7.188 1.828 3.031 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.843 2.350 6.431 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.089 1.898 7.649 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.221 3.591 5.759 1.00 8.54 C ATOM 0 H VAL A 70 -4.863 1.271 4.867 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.501 0.386 5.813 1.00 6.26 H new ATOM 0 HB VAL A 70 -7.838 2.614 6.790 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.044 2.712 8.372 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -6.598 1.043 8.095 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.077 1.610 7.364 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.150 4.401 6.485 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.225 3.345 5.391 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -6.848 3.906 4.925 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.068 1.529 4.323 1.00 12.71 N ATOM 1132 CA LEU A 71 -9.972 1.924 3.268 1.00 16.06 C ATOM 1133 C LEU A 71 -10.833 3.079 3.739 1.00 18.09 C ATOM 1134 O LEU A 71 -11.274 3.157 4.910 1.00 19.26 O ATOM 1135 CB LEU A 71 -10.788 0.715 2.868 1.00 17.10 C ATOM 1136 CG LEU A 71 -9.918 -0.480 2.381 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -10.852 -1.674 2.096 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.050 -0.170 1.151 1.00 19.57 C ATOM 0 H LEU A 71 -9.521 1.208 5.179 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.428 2.275 2.391 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.391 0.394 3.718 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.480 0.998 2.075 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.209 -0.711 3.176 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.262 -2.524 1.753 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.384 -1.946 3.008 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.572 -1.397 1.325 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.476 -1.056 0.878 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.690 0.119 0.317 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.367 0.647 1.384 1.00 19.57 H new