USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 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 55 THR OG1 : rot 144:sc= 1.3 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 1.06 USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 6 LYS NZ :NH3+ 162:sc= 0.996 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 143:sc= 0.859 USER MOD Single : A 1 MET CE :methyl -164:sc= -0.0983 (180deg=-0.293) USER MOD Single : A 1 MET N :NH3+ 165:sc= 3.27 (180deg=2.6) USER MOD Single : A 2 GLN : amide:sc= -0.732 X(o=-0.73,f=-0.53) USER MOD Single : A 11 LYS NZ :NH3+ 149:sc= 1.22 (180deg=1.14) USER MOD Single : A 14 THR OG1 : rot -95:sc= 0.231 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0555 USER MOD Single : A 25 ASN : amide:sc= 0.317 K(o=0.32,f=-1.4!) USER MOD Single : A 27 LYS NZ :NH3+ 161:sc= 2.03 (180deg=1.15) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.663 X(o=-0.66,f=-0.89) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.801 X(o=-0.8,f=-0.79) USER MOD Single : A 41 GLN : amide:sc= -0.273 K(o=-0.27,f=-1.9) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0332 X(o=-0.033,f=0) USER MOD Single : A 59 TYR OH : rot 80:sc= 0.0959 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 63 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0297) USER MOD Single : A 65 SER OG : rot 108:sc= 1.28 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=-7.1e-05) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.136 -7.042 -5.160 1.00 9.67 N ATOM 2 CA MET A 1 11.118 -7.424 -3.772 1.00 10.38 C ATOM 3 C MET A 1 9.760 -7.747 -3.239 1.00 9.62 C ATOM 4 O MET A 1 8.766 -7.242 -3.730 1.00 9.62 O ATOM 5 CB MET A 1 11.777 -6.248 -2.945 1.00 13.77 C ATOM 6 CG MET A 1 10.921 -4.974 -2.670 1.00 16.29 C ATOM 7 SD MET A 1 12.042 -3.754 -1.968 1.00 17.17 S ATOM 8 CE MET A 1 10.567 -2.580 -2.023 1.00 16.11 C ATOM 0 H1 MET A 1 12.048 -6.596 -5.386 1.00 9.67 H new ATOM 0 H2 MET A 1 11.007 -7.886 -5.754 1.00 9.67 H new ATOM 0 H3 MET A 1 10.366 -6.368 -5.344 1.00 9.67 H new ATOM 0 HA MET A 1 11.680 -8.353 -3.673 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.092 -6.652 -1.983 1.00 13.77 H new ATOM 0 HB3 MET A 1 12.680 -5.936 -3.470 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.469 -4.603 -3.590 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.106 -5.195 -1.981 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.915 -1.553 -1.910 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.053 -2.686 -2.978 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.880 -2.821 -1.212 1.00 16.11 H new ATOM 20 N GLN A 2 9.654 -8.572 -2.202 1.00 9.27 N ATOM 21 CA GLN A 2 8.454 -8.966 -1.497 1.00 9.07 C ATOM 22 C GLN A 2 8.014 -8.133 -0.270 1.00 8.72 C ATOM 23 O GLN A 2 8.823 -7.951 0.631 1.00 8.22 O ATOM 24 CB GLN A 2 8.591 -10.427 -1.033 1.00 14.46 C ATOM 25 CG GLN A 2 7.180 -11.152 -0.764 1.00 17.01 C ATOM 26 CD GLN A 2 6.609 -11.922 -1.959 1.00 20.10 C ATOM 27 OE1 GLN A 2 6.651 -13.157 -1.976 1.00 21.89 O ATOM 28 NE2 GLN A 2 5.934 -11.193 -2.862 1.00 19.49 N ATOM 0 H GLN A 2 10.481 -9.017 -1.805 1.00 9.27 H new ATOM 0 HA GLN A 2 7.676 -8.796 -2.242 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.141 -10.989 -1.788 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.185 -10.455 -0.119 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.297 -11.842 0.071 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.455 -10.399 -0.456 1.00 17.01 H new ATOM 0 HE21 GLN A 2 5.934 -10.175 -2.799 1.00 19.49 H new ATOM 0 HE22 GLN A 2 5.421 -11.657 -3.611 1.00 19.49 H new ATOM 37 N ILE A 3 6.786 -7.576 -0.195 1.00 5.87 N ATOM 38 CA ILE A 3 6.262 -6.865 0.965 1.00 5.07 C ATOM 39 C ILE A 3 4.895 -7.389 1.357 1.00 4.01 C ATOM 40 O ILE A 3 4.242 -8.060 0.598 1.00 4.61 O ATOM 41 CB ILE A 3 6.115 -5.342 0.794 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.095 -5.036 -0.333 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.558 -4.731 0.562 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.868 -3.541 -0.494 1.00 10.83 C ATOM 0 H ILE A 3 6.122 -7.616 -0.968 1.00 5.87 H new ATOM 0 HA ILE A 3 7.016 -7.049 1.731 1.00 5.07 H new ATOM 0 HB ILE A 3 5.707 -4.867 1.686 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.456 -5.453 -1.273 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.147 -5.526 -0.109 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.480 -3.651 0.438 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.190 -4.953 1.422 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.999 -5.168 -0.334 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.147 -3.366 -1.293 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.483 -3.129 0.439 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.811 -3.055 -0.743 1.00 10.83 H new ATOM 56 N PHE A 4 4.429 -7.179 2.636 1.00 4.55 N ATOM 57 CA PHE A 4 3.226 -7.807 3.223 1.00 4.68 C ATOM 58 C PHE A 4 2.271 -6.736 3.631 1.00 5.30 C ATOM 59 O PHE A 4 2.586 -5.903 4.482 1.00 5.58 O ATOM 60 CB PHE A 4 3.614 -8.629 4.447 1.00 4.83 C ATOM 61 CG PHE A 4 4.609 -9.718 4.103 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.079 -10.863 3.466 1.00 6.69 C ATOM 63 CD2 PHE A 4 6.005 -9.544 4.241 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.978 -11.820 3.018 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.904 -10.481 3.745 1.00 10.61 C ATOM 66 CZ PHE A 4 6.361 -11.731 3.221 1.00 8.90 C ATOM 0 H PHE A 4 4.902 -6.552 3.287 1.00 4.55 H new ATOM 0 HA PHE A 4 2.762 -8.462 2.486 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.042 -7.972 5.205 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.721 -9.077 4.881 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.015 -10.988 3.333 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.381 -8.664 4.742 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.592 -12.677 2.486 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.967 -10.291 3.747 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.009 -12.565 2.996 1.00 8.90 H new ATOM 76 N VAL A 5 1.086 -6.687 3.062 1.00 4.44 N ATOM 77 CA VAL A 5 0.099 -5.670 3.315 1.00 3.87 C ATOM 78 C VAL A 5 -0.989 -6.333 4.172 1.00 4.93 C ATOM 79 O VAL A 5 -1.834 -7.157 3.736 1.00 6.84 O ATOM 80 CB VAL A 5 -0.394 -4.927 2.084 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.204 -3.675 2.500 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.845 -4.645 1.258 1.00 9.13 C ATOM 0 H VAL A 5 0.776 -7.384 2.385 1.00 4.44 H new ATOM 0 HA VAL A 5 0.544 -4.839 3.862 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.096 -5.501 1.479 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.551 -3.153 1.608 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.062 -3.979 3.099 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.570 -3.010 3.086 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.564 -4.109 0.351 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.539 -4.037 1.839 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.325 -5.586 0.989 1.00 9.13 H new ATOM 92 N LYS A 6 -1.003 -6.031 5.455 1.00 6.04 N ATOM 93 CA LYS A 6 -2.049 -6.241 6.461 1.00 6.12 C ATOM 94 C LYS A 6 -3.304 -5.374 6.219 1.00 6.57 C ATOM 95 O LYS A 6 -3.244 -4.182 5.886 1.00 5.76 O ATOM 96 CB LYS A 6 -1.613 -5.971 7.899 1.00 7.45 C ATOM 97 CG LYS A 6 -0.568 -6.951 8.439 1.00 11.12 C ATOM 98 CD LYS A 6 -1.047 -8.458 8.476 1.00 14.54 C ATOM 99 CE LYS A 6 0.008 -9.386 9.057 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.408 -10.799 9.040 1.00 20.55 N ATOM 0 H LYS A 6 -0.191 -5.579 5.875 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.273 -7.301 6.342 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.210 -4.960 7.960 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.491 -6.004 8.544 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.329 -6.882 7.824 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.288 -6.646 9.447 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.959 -8.532 9.069 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.296 -8.782 7.466 1.00 14.54 H new ATOM 0 HE2 LYS A 6 0.933 -9.277 8.492 1.00 18.84 H new ATOM 0 HE3 LYS A 6 0.224 -9.087 10.083 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.427 -11.408 9.151 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.072 -10.975 9.821 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.874 -11.013 8.135 1.00 20.55 H new ATOM 114 N THR A 7 -4.453 -5.961 6.532 1.00 7.41 N ATOM 115 CA THR A 7 -5.735 -5.265 6.386 1.00 7.48 C ATOM 116 C THR A 7 -6.464 -5.235 7.694 1.00 8.75 C ATOM 117 O THR A 7 -6.158 -5.920 8.704 1.00 8.58 O ATOM 118 CB THR A 7 -6.673 -5.856 5.313 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.378 -7.077 5.736 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.907 -6.135 3.987 1.00 9.17 C ATOM 0 H THR A 7 -4.528 -6.914 6.888 1.00 7.41 H new ATOM 0 HA THR A 7 -5.471 -4.261 6.054 1.00 7.48 H new ATOM 0 HB THR A 7 -7.433 -5.091 5.153 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.953 -7.392 5.008 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.594 -6.551 3.250 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.487 -5.204 3.606 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.102 -6.846 4.174 1.00 9.17 H new ATOM 128 N LEU A 8 -7.507 -4.411 7.800 1.00 9.84 N ATOM 129 CA LEU A 8 -8.225 -4.198 9.022 1.00 14.15 C ATOM 130 C LEU A 8 -8.818 -5.530 9.396 1.00 17.37 C ATOM 131 O LEU A 8 -8.691 -5.989 10.517 1.00 17.01 O ATOM 132 CB LEU A 8 -9.294 -3.061 8.983 1.00 16.63 C ATOM 133 CG LEU A 8 -10.068 -2.827 10.296 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.203 -2.655 11.508 1.00 19.31 C ATOM 135 CD2 LEU A 8 -11.082 -1.691 10.188 1.00 18.59 C ATOM 0 H LEU A 8 -7.870 -3.871 7.015 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.531 -3.831 9.778 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -8.799 -2.131 8.704 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.012 -3.289 8.195 1.00 16.63 H new ATOM 0 HG LEU A 8 -10.614 -3.758 10.446 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.832 -2.496 12.384 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -8.598 -3.550 11.653 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -8.549 -1.794 11.369 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -11.597 -1.571 11.141 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -10.565 -0.765 9.936 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -11.809 -1.925 9.410 1.00 18.59 H new ATOM 147 N THR A 9 -9.316 -6.320 8.453 1.00 18.33 N ATOM 148 CA THR A 9 -9.903 -7.592 8.719 1.00 19.24 C ATOM 149 C THR A 9 -8.880 -8.798 8.698 1.00 19.48 C ATOM 150 O THR A 9 -9.264 -9.937 8.736 1.00 23.14 O ATOM 151 CB THR A 9 -11.074 -7.922 7.815 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.758 -7.751 6.447 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.168 -6.872 8.157 1.00 19.70 C ATOM 0 H THR A 9 -9.314 -6.072 7.464 1.00 18.33 H new ATOM 0 HA THR A 9 -10.269 -7.479 9.739 1.00 19.24 H new ATOM 0 HB THR A 9 -11.373 -8.959 7.969 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.540 -7.976 5.900 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.048 -7.049 7.539 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.440 -6.959 9.209 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.784 -5.870 7.963 1.00 19.70 H new ATOM 161 N GLY A 10 -7.571 -8.458 8.660 1.00 19.43 N ATOM 162 CA GLY A 10 -6.521 -9.349 9.136 1.00 18.74 C ATOM 163 C GLY A 10 -6.007 -10.310 8.065 1.00 17.62 C ATOM 164 O GLY A 10 -5.235 -11.219 8.380 1.00 19.74 O ATOM 0 H GLY A 10 -7.229 -7.567 8.301 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.688 -8.751 9.507 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.900 -9.926 9.980 1.00 18.74 H new ATOM 168 N LYS A 11 -6.460 -10.125 6.752 1.00 13.56 N ATOM 169 CA LYS A 11 -5.827 -10.627 5.561 1.00 11.91 C ATOM 170 C LYS A 11 -4.415 -10.196 5.412 1.00 10.18 C ATOM 171 O LYS A 11 -4.017 -9.114 5.762 1.00 9.10 O ATOM 172 CB LYS A 11 -6.745 -10.278 4.403 1.00 13.43 C ATOM 173 CG LYS A 11 -6.502 -10.930 2.992 1.00 16.69 C ATOM 174 CD LYS A 11 -7.297 -10.286 1.907 1.00 17.92 C ATOM 175 CE LYS A 11 -8.803 -10.525 1.859 1.00 20.81 C ATOM 176 NZ LYS A 11 -9.473 -9.905 0.702 1.00 21.93 N ATOM 0 H LYS A 11 -7.308 -9.597 6.547 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.711 -11.710 5.605 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.762 -10.528 4.707 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.708 -9.196 4.273 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.442 -10.865 2.746 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.754 -11.989 3.039 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.135 -9.210 1.974 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -6.880 -10.613 0.954 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -8.989 -11.599 1.841 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -9.251 -10.139 2.775 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -10.293 -10.481 0.426 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.792 -8.949 0.957 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.807 -9.847 -0.095 1.00 21.93 H new ATOM 190 N THR A 12 -3.611 -11.029 4.789 1.00 9.63 N ATOM 191 CA THR A 12 -2.256 -10.699 4.362 1.00 9.85 C ATOM 192 C THR A 12 -2.176 -10.717 2.897 1.00 11.66 C ATOM 193 O THR A 12 -2.297 -11.788 2.279 1.00 12.33 O ATOM 194 CB THR A 12 -1.162 -11.517 5.035 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.367 -11.456 6.412 1.00 10.91 O ATOM 196 CG2 THR A 12 0.279 -11.001 4.805 1.00 9.63 C ATOM 0 H THR A 12 -3.883 -11.984 4.556 1.00 9.63 H new ATOM 0 HA THR A 12 -2.052 -9.685 4.707 1.00 9.85 H new ATOM 0 HB THR A 12 -1.233 -12.514 4.601 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.146 -12.322 6.814 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.985 -11.650 5.324 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.501 -11.004 3.738 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.368 -9.986 5.191 1.00 9.63 H new ATOM 204 N ILE A 13 -1.862 -9.512 2.289 1.00 10.42 N ATOM 205 CA ILE A 13 -1.864 -9.434 0.830 1.00 11.84 C ATOM 206 C ILE A 13 -0.374 -9.288 0.492 1.00 10.55 C ATOM 207 O ILE A 13 0.214 -8.296 0.938 1.00 11.92 O ATOM 208 CB ILE A 13 -2.656 -8.278 0.272 1.00 14.86 C ATOM 209 CG1 ILE A 13 -4.118 -8.170 0.897 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.751 -8.370 -1.266 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.738 -6.797 0.809 1.00 16.46 C ATOM 0 H ILE A 13 -1.623 -8.649 2.778 1.00 10.42 H new ATOM 0 HA ILE A 13 -2.347 -10.306 0.389 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.115 -7.374 0.551 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.769 -8.882 0.390 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -4.074 -8.468 1.944 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -3.327 -7.526 -1.646 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.749 -8.348 -1.694 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.245 -9.301 -1.545 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.731 -6.817 1.258 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -4.113 -6.081 1.342 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.819 -6.501 -0.237 1.00 16.46 H new ATOM 223 N THR A 14 0.229 -10.305 -0.168 1.00 9.39 N ATOM 224 CA THR A 14 1.667 -10.415 -0.366 1.00 9.63 C ATOM 225 C THR A 14 2.047 -10.110 -1.805 1.00 11.20 C ATOM 226 O THR A 14 1.567 -10.752 -2.715 1.00 11.63 O ATOM 227 CB THR A 14 2.264 -11.797 -0.072 1.00 10.38 C ATOM 228 OG1 THR A 14 1.904 -12.285 1.219 1.00 16.30 O ATOM 229 CG2 THR A 14 3.822 -11.732 -0.204 1.00 11.66 C ATOM 0 H THR A 14 -0.293 -11.079 -0.580 1.00 9.39 H new ATOM 0 HA THR A 14 2.068 -9.695 0.348 1.00 9.63 H new ATOM 0 HB THR A 14 1.853 -12.494 -0.802 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.614 -12.069 1.860 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.246 -12.714 0.005 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.089 -11.429 -1.217 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.218 -11.007 0.508 1.00 11.66 H new ATOM 237 N LEU A 15 2.845 -8.999 -1.987 1.00 8.29 N ATOM 238 CA LEU A 15 2.989 -8.369 -3.282 1.00 9.03 C ATOM 239 C LEU A 15 4.462 -8.237 -3.697 1.00 8.59 C ATOM 240 O LEU A 15 5.388 -8.106 -2.846 1.00 7.79 O ATOM 241 CB LEU A 15 2.566 -6.868 -3.205 1.00 11.08 C ATOM 242 CG LEU A 15 1.136 -6.537 -2.730 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.029 -5.022 -2.720 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.073 -7.159 -3.583 1.00 15.27 C ATOM 0 H LEU A 15 3.378 -8.553 -1.240 1.00 8.29 H new ATOM 0 HA LEU A 15 2.397 -8.984 -3.960 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.264 -6.359 -2.540 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.696 -6.434 -4.196 1.00 11.08 H new ATOM 0 HG LEU A 15 0.969 -6.956 -1.738 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.032 -4.730 -2.390 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.772 -4.609 -2.038 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.206 -4.638 -3.725 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.909 -6.888 -3.196 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.171 -6.799 -4.607 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.182 -8.243 -3.568 1.00 15.27 H new ATOM 256 N GLU A 16 4.721 -8.331 -5.047 1.00 11.04 N ATOM 257 CA GLU A 16 6.043 -8.173 -5.623 1.00 11.50 C ATOM 258 C GLU A 16 6.184 -6.737 -6.170 1.00 10.13 C ATOM 259 O GLU A 16 5.441 -6.370 -7.055 1.00 9.83 O ATOM 260 CB GLU A 16 6.265 -9.185 -6.788 1.00 17.22 C ATOM 261 CG GLU A 16 7.733 -9.181 -7.386 1.00 23.33 C ATOM 262 CD GLU A 16 8.847 -9.584 -6.486 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.655 -10.624 -5.793 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.935 -8.896 -6.520 1.00 28.90 O ATOM 0 H GLU A 16 3.996 -8.519 -5.739 1.00 11.04 H new ATOM 0 HA GLU A 16 6.787 -8.362 -4.849 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.034 -10.188 -6.431 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.559 -8.961 -7.588 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.744 -9.844 -8.251 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.944 -8.176 -7.751 1.00 23.33 H new ATOM 271 N VAL A 17 7.131 -5.904 -5.634 1.00 8.99 N ATOM 272 CA VAL A 17 7.271 -4.440 -5.831 1.00 8.85 C ATOM 273 C VAL A 17 8.685 -4.099 -6.005 1.00 8.04 C ATOM 274 O VAL A 17 9.535 -4.955 -5.764 1.00 8.99 O ATOM 275 CB VAL A 17 6.698 -3.661 -4.679 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.202 -3.553 -4.753 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.079 -4.302 -3.378 1.00 10.54 C ATOM 0 H VAL A 17 7.857 -6.268 -5.017 1.00 8.99 H new ATOM 0 HA VAL A 17 6.709 -4.170 -6.725 1.00 8.85 H new ATOM 0 HB VAL A 17 7.114 -2.655 -4.739 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.836 -2.982 -3.900 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.919 -3.048 -5.676 1.00 12.05 H new ATOM 0 HG13 VAL A 17 4.764 -4.551 -4.737 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.658 -3.728 -2.553 1.00 10.54 H new ATOM 0 HG22 VAL A 17 6.692 -5.320 -3.347 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.165 -4.324 -3.288 1.00 10.54 H new ATOM 287 N GLU A 18 9.104 -2.849 -6.374 1.00 7.29 N ATOM 288 CA GLU A 18 10.473 -2.424 -6.321 1.00 7.08 C ATOM 289 C GLU A 18 10.461 -0.949 -6.029 1.00 6.45 C ATOM 290 O GLU A 18 9.400 -0.296 -6.019 1.00 5.28 O ATOM 291 CB GLU A 18 11.137 -2.635 -7.708 1.00 10.28 C ATOM 292 CG GLU A 18 11.686 -4.079 -7.943 1.00 12.65 C ATOM 293 CD GLU A 18 12.846 -4.430 -7.072 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.892 -3.773 -7.246 1.00 18.17 O ATOM 295 OE2 GLU A 18 12.757 -5.466 -6.343 1.00 14.33 O ATOM 0 H GLU A 18 8.467 -2.128 -6.714 1.00 7.29 H new ATOM 0 HA GLU A 18 11.021 -2.987 -5.566 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.409 -2.404 -8.486 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.956 -1.925 -7.818 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.883 -4.796 -7.770 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.983 -4.179 -8.987 1.00 12.65 H new ATOM 302 N PRO A 19 11.592 -0.379 -5.619 1.00 7.24 N ATOM 303 CA PRO A 19 11.650 0.967 -4.991 1.00 7.07 C ATOM 304 C PRO A 19 10.876 2.105 -5.716 1.00 6.65 C ATOM 305 O PRO A 19 10.262 2.979 -5.079 1.00 6.37 O ATOM 306 CB PRO A 19 13.146 1.166 -4.830 1.00 7.61 C ATOM 307 CG PRO A 19 13.672 -0.181 -4.362 1.00 8.16 C ATOM 308 CD PRO A 19 12.763 -1.123 -5.144 1.00 7.49 C ATOM 0 HA PRO A 19 11.108 1.019 -4.047 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.608 1.465 -5.771 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.364 1.949 -4.104 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.725 -0.323 -4.607 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.575 -0.312 -3.284 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.303 -1.552 -5.988 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.449 -1.953 -4.511 1.00 7.49 H new ATOM 316 N SER A 20 10.875 2.052 -7.061 1.00 6.80 N ATOM 317 CA SER A 20 10.379 3.205 -7.828 1.00 6.28 C ATOM 318 C SER A 20 8.949 3.115 -8.096 1.00 8.45 C ATOM 319 O SER A 20 8.394 4.134 -8.608 1.00 7.26 O ATOM 320 CB SER A 20 11.124 3.355 -9.182 1.00 8.57 C ATOM 321 OG SER A 20 12.540 3.563 -9.051 1.00 11.13 O ATOM 0 H SER A 20 11.197 1.260 -7.617 1.00 6.80 H new ATOM 0 HA SER A 20 10.570 4.078 -7.205 1.00 6.28 H new ATOM 0 HB2 SER A 20 10.953 2.460 -9.780 1.00 8.57 H new ATOM 0 HB3 SER A 20 10.693 4.193 -9.731 1.00 8.57 H new ATOM 0 HG SER A 20 12.942 3.647 -9.941 1.00 11.13 H new ATOM 327 N ASP A 21 8.225 2.021 -7.656 1.00 7.50 N ATOM 328 CA ASP A 21 6.804 1.966 -7.588 1.00 7.70 C ATOM 329 C ASP A 21 6.181 2.998 -6.651 1.00 7.08 C ATOM 330 O ASP A 21 6.424 3.044 -5.422 1.00 8.11 O ATOM 331 CB ASP A 21 6.279 0.558 -7.272 1.00 11.00 C ATOM 332 CG ASP A 21 6.568 -0.339 -8.405 1.00 15.32 C ATOM 333 OD1 ASP A 21 5.979 -0.181 -9.564 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.338 -1.291 -8.232 1.00 14.36 O ATOM 0 H ASP A 21 8.672 1.159 -7.343 1.00 7.50 H new ATOM 0 HA ASP A 21 6.480 2.230 -8.595 1.00 7.70 H new ATOM 0 HB2 ASP A 21 6.748 0.178 -6.365 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.206 0.592 -7.085 1.00 11.00 H new ATOM 339 N THR A 22 5.305 3.868 -7.244 1.00 5.37 N ATOM 340 CA THR A 22 4.445 4.729 -6.399 1.00 6.01 C ATOM 341 C THR A 22 3.508 4.011 -5.458 1.00 8.01 C ATOM 342 O THR A 22 3.061 2.883 -5.689 1.00 8.11 O ATOM 343 CB THR A 22 3.679 5.789 -7.173 1.00 8.92 C ATOM 344 OG1 THR A 22 2.737 5.255 -8.121 1.00 10.22 O ATOM 345 CG2 THR A 22 4.664 6.792 -7.863 1.00 9.65 C ATOM 0 H THR A 22 5.185 3.983 -8.250 1.00 5.37 H new ATOM 0 HA THR A 22 5.190 5.221 -5.774 1.00 6.01 H new ATOM 0 HB THR A 22 3.081 6.324 -6.435 1.00 8.92 H new ATOM 0 HG1 THR A 22 2.281 5.991 -8.579 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.094 7.542 -8.411 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.274 7.283 -7.105 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.310 6.250 -8.554 1.00 9.65 H new ATOM 353 N ILE A 23 3.123 4.716 -4.379 1.00 8.32 N ATOM 354 CA ILE A 23 2.120 4.211 -3.416 1.00 9.92 C ATOM 355 C ILE A 23 0.884 3.757 -4.117 1.00 10.01 C ATOM 356 O ILE A 23 0.327 2.744 -3.742 1.00 8.71 O ATOM 357 CB ILE A 23 1.811 5.247 -2.319 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.090 5.750 -1.508 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.655 4.902 -1.359 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.922 4.660 -0.840 1.00 12.30 C ATOM 0 H ILE A 23 3.491 5.639 -4.149 1.00 8.32 H new ATOM 0 HA ILE A 23 2.550 3.343 -2.916 1.00 9.92 H new ATOM 0 HB ILE A 23 1.449 6.081 -2.920 1.00 10.78 H new ATOM 0 HG12 ILE A 23 3.734 6.306 -2.190 1.00 11.38 H new ATOM 0 HG13 ILE A 23 2.758 6.450 -0.741 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.533 5.705 -0.632 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.267 4.784 -1.928 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.881 3.972 -0.837 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.764 5.114 -0.318 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.303 4.116 -0.126 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.294 3.970 -1.598 1.00 12.30 H new ATOM 372 N GLU A 24 0.361 4.540 -5.024 1.00 9.54 N ATOM 373 CA GLU A 24 -0.799 4.218 -5.852 1.00 11.81 C ATOM 374 C GLU A 24 -0.588 3.092 -6.826 1.00 11.14 C ATOM 375 O GLU A 24 -1.463 2.250 -6.898 1.00 10.62 O ATOM 376 CB GLU A 24 -1.314 5.471 -6.578 1.00 19.24 C ATOM 377 CG GLU A 24 -2.503 5.214 -7.485 1.00 27.76 C ATOM 378 CD GLU A 24 -3.136 6.519 -7.834 1.00 32.92 C ATOM 379 OE1 GLU A 24 -3.532 7.316 -6.939 1.00 34.80 O ATOM 380 OE2 GLU A 24 -3.336 6.735 -9.041 1.00 36.51 O ATOM 0 H GLU A 24 0.741 5.465 -5.224 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.554 3.856 -5.154 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -1.591 6.220 -5.836 1.00 19.24 H new ATOM 0 HB3 GLU A 24 -0.503 5.894 -7.171 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -2.182 4.697 -8.389 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -3.224 4.567 -6.986 1.00 27.76 H new ATOM 387 N ASN A 25 0.610 2.893 -7.448 1.00 9.43 N ATOM 388 CA ASN A 25 0.955 1.658 -8.211 1.00 10.96 C ATOM 389 C ASN A 25 1.018 0.437 -7.343 1.00 9.68 C ATOM 390 O ASN A 25 0.547 -0.605 -7.703 1.00 9.33 O ATOM 391 CB ASN A 25 2.243 1.821 -9.082 1.00 16.78 C ATOM 392 CG ASN A 25 2.149 0.816 -10.249 1.00 22.31 C ATOM 393 OD1 ASN A 25 1.018 0.721 -10.876 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.210 0.083 -10.618 1.00 24.70 N ATOM 0 H ASN A 25 1.361 3.583 -7.434 1.00 9.43 H new ATOM 0 HA ASN A 25 0.129 1.505 -8.905 1.00 10.96 H new ATOM 0 HB2 ASN A 25 2.323 2.840 -9.460 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.135 1.632 -8.485 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.135 -0.563 -11.404 1.00 24.70 H new ATOM 0 HD22 ASN A 25 4.092 0.171 -10.113 1.00 24.70 H new ATOM 401 N VAL A 26 1.527 0.602 -6.069 1.00 6.52 N ATOM 402 CA VAL A 26 1.417 -0.492 -5.079 1.00 5.53 C ATOM 403 C VAL A 26 -0.056 -0.790 -4.801 1.00 4.42 C ATOM 404 O VAL A 26 -0.407 -1.939 -4.889 1.00 3.40 O ATOM 405 CB VAL A 26 2.219 -0.235 -3.795 1.00 3.86 C ATOM 406 CG1 VAL A 26 2.014 -1.353 -2.768 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.732 -0.135 -4.008 1.00 8.12 C ATOM 0 H VAL A 26 1.992 1.445 -5.733 1.00 6.52 H new ATOM 0 HA VAL A 26 1.875 -1.380 -5.514 1.00 5.53 H new ATOM 0 HB VAL A 26 1.837 0.723 -3.444 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.597 -1.136 -1.873 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.958 -1.417 -2.506 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.341 -2.302 -3.193 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.223 0.047 -3.052 1.00 8.12 H new ATOM 0 HG22 VAL A 26 4.102 -1.068 -4.434 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.950 0.687 -4.690 1.00 8.12 H new ATOM 417 N LYS A 27 -0.956 0.201 -4.595 1.00 2.64 N ATOM 418 CA LYS A 27 -2.390 -0.035 -4.547 1.00 4.14 C ATOM 419 C LYS A 27 -3.071 -0.691 -5.810 1.00 5.58 C ATOM 420 O LYS A 27 -3.946 -1.533 -5.744 1.00 4.11 O ATOM 421 CB LYS A 27 -3.119 1.231 -4.160 1.00 3.97 C ATOM 422 CG LYS A 27 -2.684 1.852 -2.818 1.00 7.45 C ATOM 423 CD LYS A 27 -3.587 3.093 -2.416 1.00 9.02 C ATOM 424 CE LYS A 27 -3.262 4.449 -3.025 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.469 5.351 -2.779 1.00 15.47 N ATOM 0 H LYS A 27 -0.694 1.177 -4.460 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.485 -0.807 -3.784 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.975 1.970 -4.948 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.187 1.017 -4.115 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.738 1.096 -2.035 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.643 2.168 -2.885 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.618 2.851 -2.674 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.546 3.197 -1.332 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.366 4.871 -2.570 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.063 4.354 -4.092 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -4.185 6.346 -2.880 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -5.213 5.132 -3.472 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.832 5.190 -1.818 1.00 15.47 H new ATOM 439 N ALA A 28 -2.602 -0.402 -7.030 1.00 6.61 N ATOM 440 CA ALA A 28 -2.905 -1.103 -8.268 1.00 7.74 C ATOM 441 C ALA A 28 -2.446 -2.608 -8.230 1.00 9.17 C ATOM 442 O ALA A 28 -3.121 -3.536 -8.753 1.00 11.45 O ATOM 443 CB ALA A 28 -2.470 -0.276 -9.441 1.00 7.68 C ATOM 0 H ALA A 28 -1.961 0.377 -7.180 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.982 -1.208 -8.395 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.700 -0.806 -10.365 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.997 0.678 -9.429 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.396 -0.098 -9.382 1.00 7.68 H new ATOM 449 N LYS A 29 -1.379 -2.972 -7.612 1.00 8.96 N ATOM 450 CA LYS A 29 -0.953 -4.385 -7.359 1.00 7.90 C ATOM 451 C LYS A 29 -1.892 -5.086 -6.348 1.00 6.92 C ATOM 452 O LYS A 29 -2.102 -6.270 -6.414 1.00 6.87 O ATOM 453 CB LYS A 29 0.520 -4.513 -6.931 1.00 10.28 C ATOM 454 CG LYS A 29 1.409 -3.905 -8.009 1.00 14.94 C ATOM 455 CD LYS A 29 2.873 -3.862 -7.532 1.00 19.69 C ATOM 456 CE LYS A 29 3.896 -3.118 -8.404 1.00 22.63 C ATOM 457 NZ LYS A 29 4.009 -3.754 -9.705 1.00 24.98 N ATOM 0 H LYS A 29 -0.719 -2.293 -7.234 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.036 -4.897 -8.317 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.681 -4.004 -5.981 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.777 -5.561 -6.779 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.335 -4.491 -8.925 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.067 -2.898 -8.247 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.888 -3.409 -6.541 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.217 -4.890 -7.418 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.592 -2.078 -8.525 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.868 -3.111 -7.910 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.704 -3.240 -10.283 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.320 -4.739 -9.584 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.084 -3.739 -10.180 1.00 24.98 H new ATOM 471 N ILE A 30 -2.466 -4.334 -5.390 1.00 4.57 N ATOM 472 CA ILE A 30 -3.617 -4.741 -4.555 1.00 5.58 C ATOM 473 C ILE A 30 -4.912 -4.971 -5.298 1.00 7.26 C ATOM 474 O ILE A 30 -5.577 -5.984 -5.108 1.00 9.46 O ATOM 475 CB ILE A 30 -3.780 -3.887 -3.316 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.469 -4.058 -2.547 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.932 -4.373 -2.405 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.320 -3.010 -1.436 1.00 2.00 C ATOM 0 H ILE A 30 -2.132 -3.396 -5.167 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.346 -5.739 -4.210 1.00 5.58 H new ATOM 0 HB ILE A 30 -4.008 -2.860 -3.599 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.430 -5.057 -2.112 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.629 -3.978 -3.237 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.004 -3.725 -1.532 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.871 -4.342 -2.958 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.734 -5.395 -2.082 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.376 -3.165 -0.913 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.332 -2.012 -1.873 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.145 -3.107 -0.731 1.00 2.00 H new ATOM 490 N GLN A 31 -5.317 -4.068 -6.236 1.00 7.06 N ATOM 491 CA GLN A 31 -6.414 -4.161 -7.142 1.00 8.67 C ATOM 492 C GLN A 31 -6.369 -5.393 -7.951 1.00 10.90 C ATOM 493 O GLN A 31 -7.386 -6.121 -8.146 1.00 9.63 O ATOM 494 CB GLN A 31 -6.542 -2.849 -7.963 1.00 9.12 C ATOM 495 CG GLN A 31 -7.767 -2.834 -8.949 1.00 10.76 C ATOM 496 CD GLN A 31 -7.860 -1.605 -9.772 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.845 -1.171 -10.348 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.090 -1.112 -9.952 1.00 14.76 N ATOM 0 H GLN A 31 -4.813 -3.190 -6.358 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.339 -4.257 -6.573 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.631 -2.008 -7.275 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.626 -2.698 -8.534 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.699 -3.698 -9.610 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.686 -2.944 -8.373 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.880 -1.515 -9.448 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.238 -0.333 -10.594 1.00 14.76 H new ATOM 507 N ASP A 32 -5.217 -5.756 -8.458 1.00 10.93 N ATOM 508 CA ASP A 32 -4.957 -7.055 -9.112 1.00 14.01 C ATOM 509 C ASP A 32 -5.238 -8.254 -8.201 1.00 14.04 C ATOM 510 O ASP A 32 -5.886 -9.274 -8.545 1.00 13.39 O ATOM 511 CB ASP A 32 -3.436 -7.123 -9.593 1.00 18.01 C ATOM 512 CG ASP A 32 -3.365 -8.289 -10.535 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.086 -8.211 -11.584 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.608 -9.239 -10.302 1.00 26.29 O ATOM 0 H ASP A 32 -4.396 -5.151 -8.436 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.640 -7.117 -9.959 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.140 -6.199 -10.089 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.763 -7.260 -8.747 1.00 18.01 H new ATOM 519 N LYS A 33 -4.854 -8.123 -6.910 1.00 14.22 N ATOM 520 CA LYS A 33 -5.037 -9.283 -6.003 1.00 14.00 C ATOM 521 C LYS A 33 -6.370 -9.517 -5.379 1.00 12.37 C ATOM 522 O LYS A 33 -6.871 -10.631 -5.354 1.00 12.17 O ATOM 523 CB LYS A 33 -4.060 -9.076 -4.847 1.00 18.62 C ATOM 524 CG LYS A 33 -2.547 -9.319 -5.117 1.00 24.00 C ATOM 525 CD LYS A 33 -2.171 -10.736 -5.644 1.00 27.61 C ATOM 526 CE LYS A 33 -0.724 -11.052 -5.489 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.569 -12.483 -5.967 1.00 30.06 N ATOM 0 H LYS A 33 -4.443 -7.288 -6.492 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.887 -10.150 -6.646 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.176 -8.052 -4.491 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.363 -9.733 -4.032 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.203 -8.580 -5.841 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -1.999 -9.139 -4.192 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.759 -11.483 -5.111 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.442 -10.809 -6.697 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.108 -10.372 -6.078 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.409 -10.949 -4.451 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.427 -12.770 -5.885 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.159 -13.110 -5.384 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.868 -12.551 -6.961 1.00 30.06 H new ATOM 541 N GLU A 34 -7.025 -8.397 -4.931 1.00 10.11 N ATOM 542 CA GLU A 34 -8.227 -8.374 -4.084 1.00 10.07 C ATOM 543 C GLU A 34 -9.315 -7.527 -4.663 1.00 9.32 C ATOM 544 O GLU A 34 -10.375 -7.356 -4.111 1.00 11.61 O ATOM 545 CB GLU A 34 -7.808 -7.767 -2.687 1.00 14.77 C ATOM 546 CG GLU A 34 -6.636 -8.579 -2.040 1.00 18.75 C ATOM 547 CD GLU A 34 -6.925 -10.057 -1.802 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.091 -10.412 -1.463 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.012 -10.887 -2.004 1.00 25.19 O ATOM 0 H GLU A 34 -6.703 -7.459 -5.169 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.613 -9.390 -3.998 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.505 -6.728 -2.816 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.667 -7.767 -2.016 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.759 -8.495 -2.682 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.378 -8.117 -1.087 1.00 18.75 H new ATOM 556 N GLY A 35 -9.134 -6.890 -5.865 1.00 7.22 N ATOM 557 CA GLY A 35 -10.181 -6.072 -6.505 1.00 6.29 C ATOM 558 C GLY A 35 -10.499 -4.673 -5.948 1.00 6.93 C ATOM 559 O GLY A 35 -11.408 -4.016 -6.444 1.00 7.41 O ATOM 0 H GLY A 35 -8.266 -6.937 -6.398 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -9.906 -5.951 -7.553 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.105 -6.650 -6.483 1.00 6.29 H new ATOM 563 N ILE A 36 -9.831 -4.252 -4.879 1.00 5.86 N ATOM 564 CA ILE A 36 -10.170 -3.039 -4.273 1.00 6.07 C ATOM 565 C ILE A 36 -9.794 -1.809 -5.143 1.00 6.36 C ATOM 566 O ILE A 36 -8.673 -1.820 -5.589 1.00 6.18 O ATOM 567 CB ILE A 36 -9.664 -2.767 -2.787 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.900 -3.979 -1.807 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.444 -1.513 -2.307 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.151 -3.865 -0.408 1.00 9.49 C ATOM 0 H ILE A 36 -9.059 -4.755 -4.440 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.249 -3.167 -4.191 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.584 -2.620 -2.785 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.970 -4.075 -1.623 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.578 -4.895 -2.302 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -10.145 -1.267 -1.288 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.221 -0.672 -2.964 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.514 -1.719 -2.332 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.374 -4.744 0.197 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.076 -3.803 -0.575 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.490 -2.970 0.114 1.00 9.49 H new ATOM 582 N PRO A 37 -10.591 -0.848 -5.490 1.00 8.65 N ATOM 583 CA PRO A 37 -10.118 0.183 -6.374 1.00 9.18 C ATOM 584 C PRO A 37 -8.998 1.085 -5.824 1.00 9.85 C ATOM 585 O PRO A 37 -9.128 1.266 -4.579 1.00 8.51 O ATOM 586 CB PRO A 37 -11.424 0.975 -6.725 1.00 11.42 C ATOM 587 CG PRO A 37 -12.504 -0.056 -6.605 1.00 9.27 C ATOM 588 CD PRO A 37 -12.071 -0.853 -5.419 1.00 8.33 C ATOM 0 HA PRO A 37 -9.615 -0.250 -7.239 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.585 1.806 -6.039 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.380 1.395 -7.730 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.482 0.399 -6.451 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.577 -0.672 -7.501 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.425 -0.407 -4.490 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.467 -1.868 -5.457 1.00 8.33 H new ATOM 596 N PRO A 38 -7.972 1.593 -6.459 1.00 8.71 N ATOM 597 CA PRO A 38 -6.849 2.320 -5.797 1.00 9.08 C ATOM 598 C PRO A 38 -7.191 3.519 -4.889 1.00 9.28 C ATOM 599 O PRO A 38 -6.455 3.748 -3.935 1.00 6.50 O ATOM 600 CB PRO A 38 -5.903 2.753 -6.947 1.00 10.31 C ATOM 601 CG PRO A 38 -6.131 1.697 -8.032 1.00 10.81 C ATOM 602 CD PRO A 38 -7.541 1.117 -7.754 1.00 12.00 C ATOM 0 HA PRO A 38 -6.409 1.631 -5.076 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.144 3.753 -7.307 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.863 2.773 -6.622 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.077 2.139 -9.027 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.370 0.918 -7.988 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.242 1.431 -8.528 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.515 0.027 -7.770 1.00 12.00 H new ATOM 610 N ASP A 39 -8.245 4.281 -5.297 1.00 11.20 N ATOM 611 CA ASP A 39 -8.731 5.451 -4.472 1.00 14.96 C ATOM 612 C ASP A 39 -9.715 4.977 -3.387 1.00 13.99 C ATOM 613 O ASP A 39 -10.246 5.797 -2.723 1.00 13.75 O ATOM 614 CB ASP A 39 -9.386 6.555 -5.381 1.00 24.16 C ATOM 615 CG ASP A 39 -8.284 7.146 -6.194 1.00 31.06 C ATOM 616 OD1 ASP A 39 -7.228 7.480 -5.557 1.00 35.55 O ATOM 617 OD2 ASP A 39 -8.434 7.307 -7.427 1.00 34.22 O ATOM 0 H ASP A 39 -8.766 4.124 -6.160 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.867 5.898 -3.979 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.153 6.123 -6.024 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -9.872 7.319 -4.774 1.00 24.16 H new ATOM 622 N GLN A 40 -10.012 3.662 -3.291 1.00 11.60 N ATOM 623 CA GLN A 40 -10.873 3.153 -2.248 1.00 10.76 C ATOM 624 C GLN A 40 -10.077 2.479 -1.144 1.00 8.01 C ATOM 625 O GLN A 40 -10.619 1.912 -0.191 1.00 8.96 O ATOM 626 CB GLN A 40 -11.831 2.083 -2.883 1.00 11.14 C ATOM 627 CG GLN A 40 -12.970 1.642 -1.955 1.00 14.85 C ATOM 628 CD GLN A 40 -13.906 0.700 -2.692 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.093 -0.491 -2.408 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.661 1.266 -3.681 1.00 18.16 N ATOM 0 H GLN A 40 -9.659 2.950 -3.931 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.424 3.989 -1.816 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.259 2.490 -3.799 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.246 1.208 -3.166 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.561 1.146 -1.074 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.521 2.514 -1.603 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.523 2.245 -3.931 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.362 0.709 -4.169 1.00 18.16 H new ATOM 639 N GLN A 41 -8.690 2.555 -1.320 1.00 6.52 N ATOM 640 CA GLN A 41 -7.741 2.244 -0.285 1.00 3.87 C ATOM 641 C GLN A 41 -6.749 3.357 -0.174 1.00 4.79 C ATOM 642 O GLN A 41 -6.591 4.170 -1.072 1.00 6.34 O ATOM 643 CB GLN A 41 -6.877 0.996 -0.702 1.00 4.20 C ATOM 644 CG GLN A 41 -7.151 0.577 -2.189 1.00 3.20 C ATOM 645 CD GLN A 41 -6.124 -0.317 -2.732 1.00 4.89 C ATOM 646 OE1 GLN A 41 -5.148 -0.735 -2.052 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.369 -0.714 -3.980 1.00 7.13 N ATOM 0 H GLN A 41 -8.256 2.838 -2.199 1.00 6.52 H new ATOM 0 HA GLN A 41 -8.300 2.074 0.635 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.819 1.227 -0.577 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -7.101 0.160 -0.040 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -8.122 0.085 -2.249 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.209 1.472 -2.808 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.174 -0.343 -4.484 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.751 -1.389 -4.431 1.00 7.13 H new ATOM 656 N ARG A 42 -6.010 3.240 0.910 1.00 5.73 N ATOM 657 CA ARG A 42 -5.017 4.130 1.296 1.00 6.97 C ATOM 658 C ARG A 42 -4.084 3.190 2.093 1.00 7.15 C ATOM 659 O ARG A 42 -4.461 2.154 2.653 1.00 7.33 O ATOM 660 CB ARG A 42 -5.419 5.237 2.247 1.00 13.23 C ATOM 661 CG ARG A 42 -5.957 6.461 1.421 1.00 21.27 C ATOM 662 CD ARG A 42 -6.332 7.688 2.271 1.00 26.14 C ATOM 663 NE ARG A 42 -6.388 8.881 1.419 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.145 9.921 1.646 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.068 10.024 2.584 1.00 35.30 N ATOM 666 NH2 ARG A 42 -7.025 10.986 0.864 1.00 36.39 N ATOM 0 H ARG A 42 -6.120 2.463 1.562 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.635 4.654 0.420 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.187 4.881 2.934 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.565 5.540 2.853 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.199 6.755 0.695 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -6.833 6.145 0.855 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.297 7.528 2.753 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.599 7.830 3.065 1.00 26.14 H new ATOM 0 HE ARG A 42 -5.793 8.900 0.590 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.242 9.243 3.216 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -8.607 10.885 2.677 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -6.350 10.984 0.100 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -7.608 11.807 1.027 1.00 36.39 H new ATOM 680 N LEU A 43 -2.769 3.495 2.107 1.00 4.65 N ATOM 681 CA LEU A 43 -1.759 2.707 2.814 1.00 3.51 C ATOM 682 C LEU A 43 -1.040 3.462 3.924 1.00 5.56 C ATOM 683 O LEU A 43 -0.901 4.685 3.901 1.00 4.19 O ATOM 684 CB LEU A 43 -0.645 2.150 1.838 1.00 3.74 C ATOM 685 CG LEU A 43 -1.259 1.163 0.802 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.212 0.845 -0.256 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.778 -0.241 1.268 1.00 6.41 C ATOM 0 H LEU A 43 -2.384 4.305 1.621 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.337 1.895 3.256 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.165 2.978 1.317 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.129 1.644 2.414 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.143 1.717 0.487 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.632 0.154 -0.987 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.090 1.765 -0.757 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.657 0.388 0.218 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.170 -0.787 0.410 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.957 -0.804 1.712 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.569 -0.110 2.007 1.00 6.41 H new ATOM 699 N ILE A 44 -0.564 2.662 4.876 1.00 4.58 N ATOM 700 CA ILE A 44 0.059 3.070 6.138 1.00 5.55 C ATOM 701 C ILE A 44 1.317 2.293 6.313 1.00 5.46 C ATOM 702 O ILE A 44 1.354 1.055 6.163 1.00 6.04 O ATOM 703 CB ILE A 44 -0.808 2.856 7.348 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.115 3.684 7.159 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.053 3.156 8.681 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.052 3.382 8.411 1.00 13.90 C ATOM 0 H ILE A 44 -0.605 1.647 4.783 1.00 4.58 H new ATOM 0 HA ILE A 44 0.237 4.143 6.069 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.077 1.803 7.435 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -1.890 4.749 7.096 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.614 3.408 6.230 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.722 2.986 9.524 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.811 2.497 8.766 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.280 4.194 8.685 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.980 3.945 8.315 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.277 2.316 8.449 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.541 3.678 9.327 1.00 13.90 H new ATOM 718 N PHE A 45 2.444 2.960 6.639 1.00 6.75 N ATOM 719 CA PHE A 45 3.698 2.383 7.110 1.00 4.70 C ATOM 720 C PHE A 45 4.254 3.089 8.333 1.00 6.34 C ATOM 721 O PHE A 45 4.372 4.298 8.376 1.00 5.45 O ATOM 722 CB PHE A 45 4.802 2.398 5.960 1.00 5.51 C ATOM 723 CG PHE A 45 5.979 1.480 6.393 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.981 0.134 6.053 1.00 6.86 C ATOM 725 CD2 PHE A 45 7.086 1.999 7.069 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.099 -0.672 6.457 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.173 1.219 7.516 1.00 6.64 C ATOM 728 CZ PHE A 45 8.183 -0.132 7.139 1.00 6.84 C ATOM 0 H PHE A 45 2.494 3.977 6.573 1.00 6.75 H new ATOM 0 HA PHE A 45 3.463 1.356 7.391 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.375 2.048 5.020 1.00 5.51 H new ATOM 0 HB3 PHE A 45 5.157 3.414 5.790 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.161 -0.297 5.498 1.00 6.86 H new ATOM 0 HD2 PHE A 45 7.111 3.062 7.261 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.097 -1.727 6.224 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.961 1.643 8.121 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.033 -0.753 7.379 1.00 6.84 H new ATOM 738 N ALA A 46 4.482 2.367 9.449 1.00 6.53 N ATOM 739 CA ALA A 46 5.047 2.979 10.684 1.00 7.15 C ATOM 740 C ALA A 46 4.252 4.097 11.227 1.00 9.00 C ATOM 741 O ALA A 46 4.687 5.151 11.648 1.00 11.15 O ATOM 742 CB ALA A 46 6.499 3.349 10.500 1.00 8.99 C ATOM 0 H ALA A 46 4.288 1.369 9.528 1.00 6.53 H new ATOM 0 HA ALA A 46 4.990 2.203 11.448 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.881 3.793 11.419 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.075 2.455 10.262 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.591 4.067 9.685 1.00 8.99 H new ATOM 748 N GLY A 47 2.959 3.846 11.339 1.00 9.35 N ATOM 749 CA GLY A 47 1.931 4.770 11.865 1.00 11.68 C ATOM 750 C GLY A 47 1.491 5.816 10.921 1.00 11.14 C ATOM 751 O GLY A 47 0.438 6.447 11.130 1.00 13.93 O ATOM 0 H GLY A 47 2.563 2.950 11.055 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.062 4.187 12.169 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.321 5.252 12.761 1.00 11.68 H new ATOM 755 N LYS A 48 2.158 6.014 9.683 1.00 10.47 N ATOM 756 CA LYS A 48 1.883 7.139 8.922 1.00 8.82 C ATOM 757 C LYS A 48 1.176 6.715 7.661 1.00 7.68 C ATOM 758 O LYS A 48 1.696 5.840 6.992 1.00 6.47 O ATOM 759 CB LYS A 48 3.253 7.864 8.599 1.00 9.74 C ATOM 760 CG LYS A 48 3.936 8.278 9.870 1.00 14.14 C ATOM 761 CD LYS A 48 5.028 9.258 9.603 1.00 16.32 C ATOM 762 CE LYS A 48 5.842 9.477 10.867 1.00 20.04 C ATOM 763 NZ LYS A 48 7.170 10.138 10.506 1.00 23.92 N ATOM 0 H LYS A 48 2.850 5.378 9.285 1.00 10.47 H new ATOM 0 HA LYS A 48 1.235 7.832 9.458 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.901 7.196 8.031 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.071 8.739 7.974 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.207 8.719 10.550 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.346 7.399 10.368 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.672 8.891 8.804 1.00 16.32 H new ATOM 0 HD3 LYS A 48 4.606 10.204 9.263 1.00 16.32 H new ATOM 0 HE2 LYS A 48 5.288 10.105 11.565 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.021 8.525 11.367 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 7.729 10.289 11.370 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.698 9.523 9.855 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 6.989 11.053 10.047 1.00 23.92 H new ATOM 777 N GLN A 49 0.028 7.356 7.291 1.00 8.89 N ATOM 778 CA GLN A 49 -0.616 7.213 6.047 1.00 7.18 C ATOM 779 C GLN A 49 0.200 7.774 4.940 1.00 8.23 C ATOM 780 O GLN A 49 0.823 8.805 5.159 1.00 9.70 O ATOM 781 CB GLN A 49 -2.032 7.871 6.083 1.00 11.67 C ATOM 782 CG GLN A 49 -2.845 7.258 7.241 1.00 15.82 C ATOM 783 CD GLN A 49 -3.937 8.257 7.652 1.00 20.21 C ATOM 784 OE1 GLN A 49 -5.119 8.079 7.351 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.455 9.374 8.335 1.00 20.67 N ATOM 0 H GLN A 49 -0.456 8.004 7.913 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.735 6.146 5.856 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.942 8.949 6.216 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -2.546 7.709 5.136 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -3.293 6.314 6.931 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.194 7.040 8.087 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.461 9.451 8.549 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.097 10.114 8.620 1.00 20.67 H new ATOM 794 N LEU A 50 0.250 7.082 3.751 1.00 6.51 N ATOM 795 CA LEU A 50 1.263 7.291 2.723 1.00 7.41 C ATOM 796 C LEU A 50 0.589 7.926 1.498 1.00 8.27 C ATOM 797 O LEU A 50 -0.513 7.519 1.072 1.00 8.34 O ATOM 798 CB LEU A 50 1.928 5.984 2.319 1.00 7.13 C ATOM 799 CG LEU A 50 2.629 5.282 3.459 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.406 4.150 2.895 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.568 6.181 4.287 1.00 9.11 C ATOM 0 H LEU A 50 -0.430 6.363 3.504 1.00 6.51 H new ATOM 0 HA LEU A 50 2.038 7.946 3.122 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.174 5.317 1.902 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.650 6.183 1.527 1.00 7.13 H new ATOM 0 HG LEU A 50 1.854 4.952 4.151 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.922 3.626 3.700 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.730 3.461 2.389 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.137 4.530 2.182 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.027 5.593 5.082 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.346 6.587 3.641 1.00 9.11 H new ATOM 0 HD23 LEU A 50 2.996 6.999 4.725 1.00 9.11 H new ATOM 813 N GLU A 51 1.243 8.958 0.979 1.00 9.43 N ATOM 814 CA GLU A 51 0.689 9.793 -0.104 1.00 11.90 C ATOM 815 C GLU A 51 0.838 9.131 -1.420 1.00 11.49 C ATOM 816 O GLU A 51 1.862 8.471 -1.698 1.00 9.88 O ATOM 817 CB GLU A 51 1.238 11.238 -0.108 1.00 16.56 C ATOM 818 CG GLU A 51 1.039 11.865 1.371 1.00 26.06 C ATOM 819 CD GLU A 51 1.280 13.436 1.420 1.00 29.86 C ATOM 820 OE1 GLU A 51 0.717 14.271 0.676 1.00 33.44 O ATOM 821 OE2 GLU A 51 2.096 13.808 2.291 1.00 32.13 O ATOM 0 H GLU A 51 2.171 9.247 1.289 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.377 9.893 0.098 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.293 11.242 -0.383 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.713 11.841 -0.849 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.029 11.647 1.719 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.726 11.376 2.062 1.00 26.06 H new ATOM 828 N ASP A 52 -0.303 9.204 -2.212 1.00 12.71 N ATOM 829 CA ASP A 52 -0.578 8.322 -3.390 1.00 16.56 C ATOM 830 C ASP A 52 0.546 8.441 -4.451 1.00 15.83 C ATOM 831 O ASP A 52 0.985 7.391 -4.919 1.00 17.21 O ATOM 832 CB ASP A 52 -2.037 8.689 -3.944 1.00 21.05 C ATOM 833 CG ASP A 52 -3.139 8.602 -2.958 1.00 25.12 C ATOM 834 OD1 ASP A 52 -3.125 7.599 -2.181 1.00 25.82 O ATOM 835 OD2 ASP A 52 -4.126 9.383 -2.884 1.00 28.37 O ATOM 0 H ASP A 52 -1.047 9.880 -2.038 1.00 12.71 H new ATOM 0 HA ASP A 52 -0.576 7.270 -3.104 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -2.010 9.703 -4.342 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -2.267 8.025 -4.778 1.00 21.05 H new ATOM 840 N GLY A 53 0.988 9.679 -4.758 1.00 15.00 N ATOM 841 CA GLY A 53 1.892 9.997 -5.818 1.00 11.77 C ATOM 842 C GLY A 53 3.336 10.252 -5.343 1.00 11.10 C ATOM 843 O GLY A 53 4.013 11.186 -5.675 1.00 11.25 O ATOM 0 H GLY A 53 0.695 10.503 -4.233 1.00 15.00 H new ATOM 0 HA2 GLY A 53 1.895 9.180 -6.539 1.00 11.77 H new ATOM 0 HA3 GLY A 53 1.529 10.882 -6.341 1.00 11.77 H new ATOM 847 N ARG A 54 3.880 9.375 -4.440 1.00 8.53 N ATOM 848 CA ARG A 54 5.210 9.313 -3.928 1.00 9.05 C ATOM 849 C ARG A 54 5.592 7.909 -4.160 1.00 8.96 C ATOM 850 O ARG A 54 4.749 7.049 -4.340 1.00 11.60 O ATOM 851 CB ARG A 54 5.157 9.601 -2.406 1.00 7.97 C ATOM 852 CG ARG A 54 5.189 11.075 -1.934 1.00 9.62 C ATOM 853 CD ARG A 54 6.562 11.755 -1.833 1.00 12.20 C ATOM 854 NE ARG A 54 6.352 13.221 -1.389 1.00 18.23 N ATOM 855 CZ ARG A 54 7.294 13.963 -0.823 1.00 22.08 C ATOM 856 NH1 ARG A 54 8.620 13.677 -0.850 1.00 25.50 N ATOM 857 NH2 ARG A 54 6.934 15.139 -0.228 1.00 23.38 N ATOM 0 H ARG A 54 3.304 8.636 -4.038 1.00 8.53 H new ATOM 0 HA ARG A 54 5.902 10.021 -4.384 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.247 9.146 -2.014 1.00 7.97 H new ATOM 0 HB3 ARG A 54 5.997 9.085 -1.941 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.573 11.661 -2.616 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.715 11.125 -0.954 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.193 11.229 -1.117 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.074 11.720 -2.795 1.00 12.20 H new ATOM 0 HE ARG A 54 5.435 13.642 -1.540 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.952 12.841 -1.330 1.00 25.50 H new ATOM 0 HH12 ARG A 54 9.285 14.298 -0.390 1.00 25.50 H new ATOM 0 HH21 ARG A 54 5.957 15.431 -0.225 1.00 23.38 H new ATOM 0 HH22 ARG A 54 7.643 15.725 0.213 1.00 23.38 H new ATOM 871 N THR A 55 6.962 7.663 -4.174 1.00 9.05 N ATOM 872 CA THR A 55 7.586 6.396 -4.444 1.00 9.03 C ATOM 873 C THR A 55 7.834 5.663 -3.204 1.00 8.15 C ATOM 874 O THR A 55 8.035 6.290 -2.146 1.00 5.91 O ATOM 875 CB THR A 55 8.854 6.445 -5.316 1.00 11.15 C ATOM 876 OG1 THR A 55 9.912 7.202 -4.714 1.00 11.95 O ATOM 877 CG2 THR A 55 8.468 7.148 -6.685 1.00 11.71 C ATOM 0 H THR A 55 7.642 8.399 -3.985 1.00 9.05 H new ATOM 0 HA THR A 55 6.859 5.861 -5.055 1.00 9.03 H new ATOM 0 HB THR A 55 9.211 5.424 -5.450 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.774 6.786 -4.926 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.347 7.199 -7.328 1.00 11.71 H new ATOM 0 HG22 THR A 55 7.687 6.572 -7.182 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.105 8.156 -6.486 1.00 11.71 H new ATOM 885 N LEU A 56 7.927 4.407 -3.286 1.00 6.91 N ATOM 886 CA LEU A 56 8.459 3.631 -2.136 1.00 8.29 C ATOM 887 C LEU A 56 9.840 4.007 -1.704 1.00 8.05 C ATOM 888 O LEU A 56 10.156 4.103 -0.520 1.00 10.17 O ATOM 889 CB LEU A 56 8.522 2.168 -2.524 1.00 6.60 C ATOM 890 CG LEU A 56 7.155 1.442 -2.530 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.382 -0.049 -2.943 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.478 1.527 -1.206 1.00 8.64 C ATOM 0 H LEU A 56 7.661 3.853 -4.100 1.00 6.91 H new ATOM 0 HA LEU A 56 7.782 3.845 -1.309 1.00 8.29 H new ATOM 0 HB2 LEU A 56 8.965 2.088 -3.517 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.190 1.651 -1.834 1.00 6.60 H new ATOM 0 HG LEU A 56 6.498 1.931 -3.249 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.427 -0.574 -2.952 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.826 -0.087 -3.938 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.052 -0.527 -2.228 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.522 1.005 -1.252 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.107 1.065 -0.445 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.309 2.573 -0.950 1.00 8.64 H new ATOM 904 N SER A 57 10.716 4.315 -2.709 1.00 8.92 N ATOM 905 CA SER A 57 12.037 4.910 -2.540 1.00 9.00 C ATOM 906 C SER A 57 12.075 6.203 -1.783 1.00 9.44 C ATOM 907 O SER A 57 13.026 6.441 -1.041 1.00 10.91 O ATOM 908 CB SER A 57 12.857 5.086 -3.817 1.00 10.32 C ATOM 909 OG SER A 57 12.142 5.854 -4.785 1.00 13.59 O ATOM 0 H SER A 57 10.492 4.140 -3.689 1.00 8.92 H new ATOM 0 HA SER A 57 12.504 4.135 -1.933 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.800 5.579 -3.582 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.103 4.109 -4.233 1.00 10.32 H new ATOM 0 HG SER A 57 12.689 5.954 -5.592 1.00 13.59 H new ATOM 915 N ASP A 58 11.040 6.990 -1.865 1.00 9.11 N ATOM 916 CA ASP A 58 10.871 8.276 -1.188 1.00 7.91 C ATOM 917 C ASP A 58 10.670 8.121 0.371 1.00 9.12 C ATOM 918 O ASP A 58 11.290 8.721 1.281 1.00 8.61 O ATOM 919 CB ASP A 58 9.757 9.165 -1.822 1.00 8.41 C ATOM 920 CG ASP A 58 9.748 10.589 -1.435 1.00 11.50 C ATOM 921 OD1 ASP A 58 9.751 10.910 -0.204 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.737 11.509 -2.347 1.00 11.70 O ATOM 0 H ASP A 58 10.232 6.749 -2.439 1.00 9.11 H new ATOM 0 HA ASP A 58 11.812 8.804 -1.341 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.851 9.107 -2.906 1.00 8.41 H new ATOM 0 HB3 ASP A 58 8.789 8.735 -1.563 1.00 8.41 H new ATOM 927 N TYR A 59 9.832 7.092 0.674 1.00 7.97 N ATOM 928 CA TYR A 59 9.574 6.643 2.042 1.00 8.45 C ATOM 929 C TYR A 59 10.668 5.634 2.544 1.00 10.98 C ATOM 930 O TYR A 59 10.677 5.293 3.749 1.00 12.95 O ATOM 931 CB TYR A 59 8.181 5.904 2.225 1.00 7.94 C ATOM 932 CG TYR A 59 7.129 7.046 2.118 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.997 8.004 3.107 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.247 7.056 1.014 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.958 8.987 3.027 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.296 8.079 0.875 1.00 6.52 C ATOM 937 CZ TYR A 59 5.130 9.016 1.897 1.00 6.76 C ATOM 938 OH TYR A 59 4.207 10.064 1.663 1.00 7.63 O ATOM 0 H TYR A 59 9.324 6.561 -0.033 1.00 7.97 H new ATOM 0 HA TYR A 59 9.579 7.567 2.619 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.027 5.147 1.456 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.122 5.397 3.188 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.680 8.011 3.943 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.305 6.272 0.273 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.815 9.697 3.828 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.694 8.141 -0.020 1.00 6.52 H new ATOM 0 HH TYR A 59 4.678 10.838 1.290 1.00 7.63 H new ATOM 948 N ASN A 60 11.596 5.238 1.590 1.00 12.38 N ATOM 949 CA ASN A 60 12.613 4.228 1.827 1.00 13.94 C ATOM 950 C ASN A 60 12.086 2.874 2.339 1.00 14.16 C ATOM 951 O ASN A 60 12.478 2.431 3.418 1.00 14.26 O ATOM 952 CB ASN A 60 13.756 4.609 2.815 1.00 19.23 C ATOM 953 CG ASN A 60 14.463 5.936 2.407 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.303 6.923 3.141 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.187 5.887 1.288 1.00 24.09 N ATOM 0 H ASN A 60 11.627 5.633 0.650 1.00 12.38 H new ATOM 0 HA ASN A 60 13.003 4.151 0.812 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.347 4.710 3.820 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.489 3.803 2.849 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.678 6.719 0.961 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.250 5.017 0.759 1.00 24.09 H new ATOM 962 N ILE A 61 11.111 2.271 1.702 1.00 11.08 N ATOM 963 CA ILE A 61 10.466 1.043 2.156 1.00 11.78 C ATOM 964 C ILE A 61 11.115 -0.121 1.434 1.00 13.74 C ATOM 965 O ILE A 61 11.168 -0.105 0.209 1.00 14.60 O ATOM 966 CB ILE A 61 8.908 1.045 2.082 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.267 2.286 2.710 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.279 -0.271 2.657 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.846 2.558 2.278 1.00 11.42 C ATOM 0 H ILE A 61 10.726 2.625 0.826 1.00 11.08 H new ATOM 0 HA ILE A 61 10.631 0.947 3.229 1.00 11.78 H new ATOM 0 HB ILE A 61 8.677 1.084 1.018 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.287 2.177 3.794 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.878 3.155 2.466 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.193 -0.218 2.582 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.641 -1.127 2.087 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.565 -0.384 3.703 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.480 3.456 2.776 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.816 2.704 1.198 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.215 1.711 2.548 1.00 11.42 H new ATOM 981 N GLN A 62 11.665 -1.081 2.218 1.00 13.97 N ATOM 982 CA GLN A 62 12.597 -2.041 1.689 1.00 15.52 C ATOM 983 C GLN A 62 12.011 -3.471 1.703 1.00 13.94 C ATOM 984 O GLN A 62 10.851 -3.706 2.094 1.00 12.15 O ATOM 985 CB GLN A 62 13.894 -2.058 2.504 1.00 19.53 C ATOM 986 CG GLN A 62 14.492 -0.623 2.702 1.00 26.38 C ATOM 987 CD GLN A 62 15.748 -0.712 3.605 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.959 -1.687 4.333 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.610 0.360 3.614 1.00 32.71 N ATOM 0 H GLN A 62 11.464 -1.190 3.212 1.00 13.97 H new ATOM 0 HA GLN A 62 12.801 -1.737 0.662 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.702 -2.507 3.479 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.628 -2.689 2.002 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.754 -0.189 1.737 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.750 0.034 3.156 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.432 1.163 3.011 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.428 0.352 4.224 1.00 32.71 H new ATOM 998 N LYS A 63 12.760 -4.463 1.212 1.00 11.73 N ATOM 999 CA LYS A 63 12.409 -5.901 1.253 1.00 11.97 C ATOM 1000 C LYS A 63 11.895 -6.531 2.584 1.00 10.41 C ATOM 1001 O LYS A 63 12.430 -6.254 3.691 1.00 9.59 O ATOM 1002 CB LYS A 63 13.476 -6.790 0.641 1.00 13.73 C ATOM 1003 CG LYS A 63 14.743 -6.866 1.435 1.00 16.98 C ATOM 1004 CD LYS A 63 15.824 -7.591 0.657 1.00 20.19 C ATOM 1005 CE LYS A 63 17.216 -7.591 1.301 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.128 -8.420 2.488 1.00 25.97 N ATOM 0 H LYS A 63 13.657 -4.290 0.759 1.00 11.73 H new ATOM 0 HA LYS A 63 11.513 -5.874 0.633 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.072 -7.796 0.526 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.709 -6.423 -0.359 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.081 -5.861 1.685 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.557 -7.383 2.376 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.511 -8.625 0.511 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.901 -7.139 -0.332 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.962 -7.983 0.610 1.00 23.42 H new ATOM 0 HE3 LYS A 63 17.523 -6.577 1.559 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.069 -8.505 2.923 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.471 -7.986 3.167 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.781 -9.365 2.227 1.00 25.97 H new ATOM 1020 N GLU A 64 10.826 -7.404 2.575 1.00 10.04 N ATOM 1021 CA GLU A 64 10.250 -8.102 3.720 1.00 10.94 C ATOM 1022 C GLU A 64 9.480 -7.249 4.717 1.00 9.74 C ATOM 1023 O GLU A 64 9.205 -7.616 5.873 1.00 9.42 O ATOM 1024 CB GLU A 64 11.219 -9.098 4.324 1.00 18.31 C ATOM 1025 CG GLU A 64 11.855 -10.053 3.313 1.00 24.16 C ATOM 1026 CD GLU A 64 12.550 -11.281 3.905 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.962 -12.146 4.546 1.00 31.72 O ATOM 1028 OE2 GLU A 64 13.809 -11.335 3.712 1.00 32.61 O ATOM 0 H GLU A 64 10.338 -7.631 1.708 1.00 10.04 H new ATOM 0 HA GLU A 64 9.434 -8.692 3.303 1.00 10.94 H new ATOM 0 HB2 GLU A 64 12.010 -8.551 4.837 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.695 -9.684 5.079 1.00 18.31 H new ATOM 0 HG2 GLU A 64 11.081 -10.393 2.626 1.00 24.16 H new ATOM 0 HG3 GLU A 64 12.583 -9.496 2.723 1.00 24.16 H new ATOM 1035 N SER A 65 9.138 -5.985 4.226 1.00 6.85 N ATOM 1036 CA SER A 65 8.490 -4.993 5.040 1.00 6.90 C ATOM 1037 C SER A 65 6.994 -5.228 5.175 1.00 4.72 C ATOM 1038 O SER A 65 6.343 -5.774 4.309 1.00 3.91 O ATOM 1039 CB SER A 65 8.602 -3.559 4.482 1.00 7.28 C ATOM 1040 OG SER A 65 9.980 -3.069 4.533 1.00 10.56 O ATOM 0 H SER A 65 9.322 -5.683 3.269 1.00 6.85 H new ATOM 0 HA SER A 65 9.012 -5.089 5.992 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.246 -3.540 3.452 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.957 -2.893 5.055 1.00 7.28 H new ATOM 0 HG SER A 65 10.351 -3.041 3.626 1.00 10.56 H new ATOM 1046 N THR A 66 6.365 -4.760 6.275 1.00 4.48 N ATOM 1047 CA THR A 66 4.946 -4.900 6.578 1.00 3.80 C ATOM 1048 C THR A 66 4.233 -3.579 6.440 1.00 4.60 C ATOM 1049 O THR A 66 4.487 -2.625 7.202 1.00 5.33 O ATOM 1050 CB THR A 66 4.706 -5.479 7.948 1.00 2.85 C ATOM 1051 OG1 THR A 66 5.374 -6.737 8.169 1.00 2.15 O ATOM 1052 CG2 THR A 66 3.206 -5.877 7.933 1.00 3.40 C ATOM 0 H THR A 66 6.867 -4.252 7.003 1.00 4.48 H new ATOM 0 HA THR A 66 4.539 -5.602 5.850 1.00 3.80 H new ATOM 0 HB THR A 66 5.040 -4.755 8.692 1.00 2.85 H new ATOM 0 HG1 THR A 66 5.179 -7.056 9.075 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.935 -6.311 8.895 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.597 -4.992 7.750 1.00 3.40 H new ATOM 0 HG23 THR A 66 3.031 -6.608 7.143 1.00 3.40 H new ATOM 1060 N LEU A 67 3.210 -3.431 5.553 1.00 4.17 N ATOM 1061 CA LEU A 67 2.407 -2.259 5.425 1.00 3.85 C ATOM 1062 C LEU A 67 1.064 -2.615 6.080 1.00 3.80 C ATOM 1063 O LEU A 67 0.663 -3.767 6.252 1.00 5.54 O ATOM 1064 CB LEU A 67 2.251 -1.867 3.934 1.00 7.18 C ATOM 1065 CG LEU A 67 3.401 -1.070 3.267 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.665 -2.004 3.075 1.00 8.12 C ATOM 1067 CD2 LEU A 67 2.851 -0.502 1.975 1.00 11.66 C ATOM 0 H LEU A 67 2.942 -4.169 4.902 1.00 4.17 H new ATOM 0 HA LEU A 67 2.854 -1.391 5.909 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.104 -2.783 3.362 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.338 -1.280 3.837 1.00 7.18 H new ATOM 0 HG LEU A 67 3.749 -0.242 3.885 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.469 -1.437 2.606 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.998 -2.370 4.046 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.400 -2.850 2.441 1.00 8.12 H new ATOM 0 HD21 LEU A 67 3.629 0.070 1.469 1.00 11.66 H new ATOM 0 HD22 LEU A 67 2.522 -1.317 1.330 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.006 0.151 2.195 1.00 11.66 H new ATOM 1079 N HIS A 68 0.295 -1.589 6.404 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.120 -1.669 6.800 1.00 4.17 C ATOM 1081 C HIS A 68 -1.924 -0.987 5.666 1.00 5.32 C ATOM 1082 O HIS A 68 -1.653 0.163 5.228 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.310 -0.963 8.195 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.736 -1.822 9.300 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -1.442 -2.833 9.856 1.00 13.74 N ATOM 1086 CD2 HIS A 68 0.530 -1.968 9.776 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -0.622 -3.594 10.618 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.631 -3.115 10.610 1.00 16.30 N ATOM 0 H HIS A 68 0.646 -0.631 6.401 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.470 -2.694 6.926 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.818 0.010 8.188 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.369 -0.783 8.378 1.00 5.57 H new ATOM 0 HD2 HIS A 68 1.349 -1.301 9.550 1.00 12.79 H new ATOM 0 HE1 HIS A 68 -0.936 -4.473 11.162 1.00 14.75 H new ATOM 0 HE2 HIS A 68 1.455 -3.483 11.086 1.00 16.30 H new ATOM 1096 N LEU A 69 -2.976 -1.616 5.173 1.00 5.29 N ATOM 1097 CA LEU A 69 -3.951 -1.193 4.240 1.00 3.97 C ATOM 1098 C LEU A 69 -5.194 -0.747 5.041 1.00 5.07 C ATOM 1099 O LEU A 69 -5.611 -1.428 5.972 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.342 -2.276 3.227 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.433 -1.807 2.225 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.024 -2.282 0.848 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.849 -2.246 2.628 1.00 9.96 C ATOM 0 H LEU A 69 -3.173 -2.570 5.476 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.530 -0.378 3.651 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.456 -2.583 2.672 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.703 -3.154 3.763 1.00 6.08 H new ATOM 0 HG LEU A 69 -5.494 -0.719 2.229 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.771 -1.969 0.118 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.058 -1.851 0.587 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.949 -3.369 0.846 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.565 -1.888 1.889 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -6.892 -3.334 2.678 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -7.096 -1.828 3.604 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.771 0.434 4.739 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.019 0.895 5.200 1.00 6.26 C ATOM 1117 C VAL A 70 -7.891 1.367 4.025 1.00 9.22 C ATOM 1118 O VAL A 70 -7.448 1.495 2.926 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.936 2.033 6.206 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.316 1.603 7.510 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.145 3.241 5.530 1.00 8.54 C ATOM 0 H VAL A 70 -5.316 1.108 4.123 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.460 0.037 5.707 1.00 6.26 H new ATOM 0 HB VAL A 70 -7.943 2.359 6.466 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.280 2.452 8.193 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -6.914 0.806 7.952 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.304 1.239 7.329 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.074 4.069 6.235 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.143 2.911 5.255 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -6.677 3.570 4.637 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.253 1.419 4.272 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.209 1.789 3.257 1.00 16.06 C ATOM 1133 C LEU A 71 -10.402 3.274 3.244 1.00 18.09 C ATOM 1134 O LEU A 71 -10.274 4.023 4.248 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.517 0.929 3.154 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.281 -0.546 3.303 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.580 -1.298 3.264 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -10.365 -1.094 2.172 1.00 19.57 C ATOM 0 H LEU A 71 -9.671 1.202 5.177 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.756 1.507 2.307 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.218 1.256 3.922 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.990 1.117 2.190 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.792 -0.692 4.266 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -12.386 -2.365 3.374 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -13.221 -0.960 4.078 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -13.078 -1.116 2.311 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -10.216 -2.165 2.312 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.835 -0.916 1.205 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.401 -0.586 2.206 1.00 19.57 H new