USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 420 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 33 GLN : amide:sc= 0.283 X(o=0.19,f=0.14) USER MOD Set 1.2: A 36 ASN : amide:sc= -0.0922 X(o=0.19,f=0.5) USER MOD Set 2.1: A 9 ASN : amide:sc= -0.115 K(o=-0.11,f=-0.7) USER MOD Set 2.2: A 56 THR OG1 : rot 180:sc= 0.00417 USER MOD Set 3.1: A 1 MET N :NH3+ -172:sc= 1.1 (180deg=0.691) USER MOD Set 3.2: A 4 TYR OH : rot 30:sc= 0.205 USER MOD Set 3.3: A 51 LYS NZ :NH3+ 140:sc= 0.934 (180deg=0.114) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ -126:sc= 0.219 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -177:sc= 0.35 (180deg=0.306) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 160:sc= 0 USER MOD Single : A 26 THR OG1 : rot -150:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0.556 K(o=0.56,f=-0.078) USER MOD Single : A 45 THR OG1 : rot -62:sc= 0.0218 USER MOD Single : A 46 TYR OH : rot -113:sc= 1.34 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.041 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.910 -0.307 0.890 1.00 0.00 N ATOM 2 CA MET A 1 -14.710 -0.977 -0.401 1.00 0.00 C ATOM 3 C MET A 1 -14.292 0.056 -1.445 1.00 0.00 C ATOM 4 O MET A 1 -14.289 1.257 -1.164 1.00 0.00 O ATOM 5 CB MET A 1 -15.943 -1.821 -0.815 1.00 0.00 C ATOM 6 CG MET A 1 -15.614 -2.851 -1.906 1.00 0.00 C ATOM 7 SD MET A 1 -16.770 -4.208 -2.180 1.00 0.00 S ATOM 8 CE MET A 1 -15.628 -5.295 -3.082 1.00 0.00 C ATOM 0 H1 MET A 1 -15.061 -1.020 1.632 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.069 0.260 1.121 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.741 0.315 0.833 1.00 0.00 H new ATOM 0 HA MET A 1 -13.900 -1.701 -0.313 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.336 -2.338 0.061 1.00 0.00 H new ATOM 0 HB3 MET A 1 -16.730 -1.157 -1.173 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.504 -2.313 -2.848 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.642 -3.285 -1.671 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.143 -6.216 -3.357 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.281 -4.790 -3.984 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.774 -5.532 -2.448 1.00 0.00 H new ATOM 18 N GLY A 2 -13.963 -0.389 -2.656 1.00 0.00 N ATOM 19 CA GLY A 2 -13.548 0.427 -3.784 1.00 0.00 C ATOM 20 C GLY A 2 -12.098 0.127 -4.130 1.00 0.00 C ATOM 21 O GLY A 2 -11.433 -0.656 -3.449 1.00 0.00 O ATOM 0 H GLY A 2 -13.981 -1.383 -2.884 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -14.186 0.226 -4.645 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -13.663 1.484 -3.542 1.00 0.00 H new ATOM 25 N THR A 3 -11.612 0.742 -5.198 1.00 0.00 N ATOM 26 CA THR A 3 -10.249 0.575 -5.657 1.00 0.00 C ATOM 27 C THR A 3 -9.336 1.415 -4.772 1.00 0.00 C ATOM 28 O THR A 3 -9.484 2.641 -4.711 1.00 0.00 O ATOM 29 CB THR A 3 -10.115 1.000 -7.129 1.00 0.00 C ATOM 30 OG1 THR A 3 -11.250 0.585 -7.866 1.00 0.00 O ATOM 31 CG2 THR A 3 -8.846 0.403 -7.749 1.00 0.00 C ATOM 0 H THR A 3 -12.163 1.378 -5.774 1.00 0.00 H new ATOM 0 HA THR A 3 -9.965 -0.475 -5.591 1.00 0.00 H new ATOM 0 HB THR A 3 -10.045 2.087 -7.165 1.00 0.00 H new ATOM 0 HG1 THR A 3 -11.153 0.863 -8.801 1.00 0.00 H new ATOM 0 HG21 THR A 3 -8.769 0.715 -8.791 1.00 0.00 H new ATOM 0 HG22 THR A 3 -7.973 0.754 -7.199 1.00 0.00 H new ATOM 0 HG23 THR A 3 -8.893 -0.685 -7.699 1.00 0.00 H new ATOM 39 N TYR A 4 -8.457 0.738 -4.045 1.00 0.00 N ATOM 40 CA TYR A 4 -7.459 1.324 -3.170 1.00 0.00 C ATOM 41 C TYR A 4 -6.149 1.302 -3.977 1.00 0.00 C ATOM 42 O TYR A 4 -5.995 0.467 -4.879 1.00 0.00 O ATOM 43 CB TYR A 4 -7.344 0.503 -1.875 1.00 0.00 C ATOM 44 CG TYR A 4 -8.544 0.553 -0.942 1.00 0.00 C ATOM 45 CD1 TYR A 4 -8.646 1.582 0.018 1.00 0.00 C ATOM 46 CD2 TYR A 4 -9.550 -0.432 -1.011 1.00 0.00 C ATOM 47 CE1 TYR A 4 -9.795 1.677 0.838 1.00 0.00 C ATOM 48 CE2 TYR A 4 -10.696 -0.326 -0.209 1.00 0.00 C ATOM 49 CZ TYR A 4 -10.844 0.734 0.705 1.00 0.00 C ATOM 50 OH TYR A 4 -12.019 0.827 1.399 1.00 0.00 O ATOM 0 H TYR A 4 -8.422 -0.281 -4.052 1.00 0.00 H new ATOM 0 HA TYR A 4 -7.713 2.339 -2.866 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -7.161 -0.537 -2.144 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -6.468 0.849 -1.326 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -7.845 2.299 0.127 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -9.438 -1.270 -1.683 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -9.873 2.470 1.567 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -11.476 -1.068 -0.294 1.00 0.00 H new ATOM 0 HH TYR A 4 -12.221 1.770 1.576 1.00 0.00 H new ATOM 60 N LYS A 5 -5.179 2.157 -3.646 1.00 0.00 N ATOM 61 CA LYS A 5 -3.888 2.265 -4.331 1.00 0.00 C ATOM 62 C LYS A 5 -2.758 2.251 -3.323 1.00 0.00 C ATOM 63 O LYS A 5 -2.948 2.696 -2.193 1.00 0.00 O ATOM 64 CB LYS A 5 -3.820 3.567 -5.153 1.00 0.00 C ATOM 65 CG LYS A 5 -2.702 3.557 -6.216 1.00 0.00 C ATOM 66 CD LYS A 5 -1.900 4.850 -6.370 1.00 0.00 C ATOM 67 CE LYS A 5 -2.728 5.993 -6.963 1.00 0.00 C ATOM 68 NZ LYS A 5 -1.893 6.880 -7.798 1.00 0.00 N ATOM 0 H LYS A 5 -5.272 2.813 -2.871 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.787 1.412 -5.002 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.779 3.729 -5.645 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -3.663 4.408 -4.477 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -2.009 2.751 -5.975 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -3.149 3.315 -7.180 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -1.516 5.153 -5.396 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -1.037 4.663 -7.009 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -3.541 5.584 -7.563 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -3.185 6.570 -6.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -1.996 7.862 -7.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -0.897 6.592 -7.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -2.198 6.811 -8.790 1.00 0.00 H new ATOM 82 N LEU A 6 -1.611 1.691 -3.678 1.00 0.00 N ATOM 83 CA LEU A 6 -0.424 1.627 -2.836 1.00 0.00 C ATOM 84 C LEU A 6 0.719 2.285 -3.567 1.00 0.00 C ATOM 85 O LEU A 6 0.886 2.046 -4.763 1.00 0.00 O ATOM 86 CB LEU A 6 -0.032 0.168 -2.574 1.00 0.00 C ATOM 87 CG LEU A 6 1.269 -0.026 -1.761 1.00 0.00 C ATOM 88 CD1 LEU A 6 1.176 0.569 -0.350 1.00 0.00 C ATOM 89 CD2 LEU A 6 1.613 -1.518 -1.690 1.00 0.00 C ATOM 0 H LEU A 6 -1.476 1.254 -4.590 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.635 2.127 -1.890 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.849 -0.322 -2.045 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.077 -0.340 -3.532 1.00 0.00 H new ATOM 0 HG LEU A 6 2.063 0.513 -2.277 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.116 0.405 0.177 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.981 1.639 -0.419 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.365 0.086 0.196 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.530 -1.653 -1.117 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.799 -2.056 -1.205 1.00 0.00 H new ATOM 0 HD23 LEU A 6 1.755 -1.907 -2.698 1.00 0.00 H new ATOM 101 N ILE A 7 1.512 3.046 -2.825 1.00 0.00 N ATOM 102 CA ILE A 7 2.691 3.730 -3.317 1.00 0.00 C ATOM 103 C ILE A 7 3.846 3.154 -2.511 1.00 0.00 C ATOM 104 O ILE A 7 3.922 3.313 -1.294 1.00 0.00 O ATOM 105 CB ILE A 7 2.584 5.261 -3.224 1.00 0.00 C ATOM 106 CG1 ILE A 7 1.340 5.771 -3.980 1.00 0.00 C ATOM 107 CG2 ILE A 7 3.864 5.903 -3.784 1.00 0.00 C ATOM 108 CD1 ILE A 7 1.181 7.293 -3.947 1.00 0.00 C ATOM 0 H ILE A 7 1.343 3.207 -1.832 1.00 0.00 H new ATOM 0 HA ILE A 7 2.834 3.563 -4.385 1.00 0.00 H new ATOM 0 HB ILE A 7 2.475 5.544 -2.177 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.397 5.443 -5.018 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.450 5.312 -3.549 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.786 6.988 -3.717 1.00 0.00 H new ATOM 0 HG22 ILE A 7 4.724 5.565 -3.206 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.991 5.612 -4.827 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.285 7.577 -4.499 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.092 7.627 -2.913 1.00 0.00 H new ATOM 0 HD13 ILE A 7 2.053 7.760 -4.405 1.00 0.00 H new ATOM 120 N LEU A 8 4.679 2.377 -3.188 1.00 0.00 N ATOM 121 CA LEU A 8 5.852 1.736 -2.639 1.00 0.00 C ATOM 122 C LEU A 8 6.970 2.753 -2.809 1.00 0.00 C ATOM 123 O LEU A 8 7.388 2.995 -3.940 1.00 0.00 O ATOM 124 CB LEU A 8 6.171 0.454 -3.440 1.00 0.00 C ATOM 125 CG LEU A 8 5.099 -0.639 -3.316 1.00 0.00 C ATOM 126 CD1 LEU A 8 5.096 -1.596 -4.511 1.00 0.00 C ATOM 127 CD2 LEU A 8 5.317 -1.432 -2.034 1.00 0.00 C ATOM 0 H LEU A 8 4.545 2.171 -4.178 1.00 0.00 H new ATOM 0 HA LEU A 8 5.718 1.445 -1.597 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.291 0.715 -4.492 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.126 0.053 -3.100 1.00 0.00 H new ATOM 0 HG LEU A 8 4.131 -0.138 -3.293 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.320 -2.349 -4.372 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.899 -1.036 -5.425 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.067 -2.086 -4.587 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.554 -2.206 -1.951 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.303 -1.896 -2.056 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.250 -0.763 -1.176 1.00 0.00 H new ATOM 139 N ASN A 9 7.426 3.379 -1.730 1.00 0.00 N ATOM 140 CA ASN A 9 8.512 4.353 -1.761 1.00 0.00 C ATOM 141 C ASN A 9 9.655 3.744 -0.946 1.00 0.00 C ATOM 142 O ASN A 9 9.976 4.241 0.132 1.00 0.00 O ATOM 143 CB ASN A 9 8.067 5.680 -1.101 1.00 0.00 C ATOM 144 CG ASN A 9 7.240 6.630 -1.935 1.00 0.00 C ATOM 145 OD1 ASN A 9 7.248 6.593 -3.160 1.00 0.00 O ATOM 146 ND2 ASN A 9 6.546 7.531 -1.262 1.00 0.00 N ATOM 0 H ASN A 9 7.047 3.222 -0.796 1.00 0.00 H new ATOM 0 HA ASN A 9 8.810 4.571 -2.787 1.00 0.00 H new ATOM 0 HB2 ASN A 9 7.497 5.435 -0.205 1.00 0.00 H new ATOM 0 HB3 ASN A 9 8.962 6.210 -0.775 1.00 0.00 H new ATOM 0 HD21 ASN A 9 5.993 8.227 -1.762 1.00 0.00 H new ATOM 0 HD22 ASN A 9 6.564 7.531 -0.242 1.00 0.00 H new ATOM 153 N GLY A 10 10.358 2.732 -1.457 1.00 0.00 N ATOM 154 CA GLY A 10 11.446 2.137 -0.686 1.00 0.00 C ATOM 155 C GLY A 10 12.771 2.816 -0.956 1.00 0.00 C ATOM 156 O GLY A 10 12.964 3.434 -2.009 1.00 0.00 O ATOM 0 H GLY A 10 10.199 2.318 -2.375 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.215 2.203 0.377 1.00 0.00 H new ATOM 0 HA3 GLY A 10 11.526 1.078 -0.930 1.00 0.00 H new ATOM 160 N LYS A 11 13.715 2.669 -0.019 1.00 0.00 N ATOM 161 CA LYS A 11 15.036 3.266 -0.172 1.00 0.00 C ATOM 162 C LYS A 11 15.715 2.697 -1.405 1.00 0.00 C ATOM 163 O LYS A 11 16.477 3.423 -2.041 1.00 0.00 O ATOM 164 CB LYS A 11 15.908 3.080 1.082 1.00 0.00 C ATOM 165 CG LYS A 11 15.339 3.716 2.361 1.00 0.00 C ATOM 166 CD LYS A 11 14.908 5.176 2.208 1.00 0.00 C ATOM 167 CE LYS A 11 15.987 6.116 1.686 1.00 0.00 C ATOM 168 NZ LYS A 11 15.419 7.443 1.376 1.00 0.00 N ATOM 0 H LYS A 11 13.585 2.144 0.846 1.00 0.00 H new ATOM 0 HA LYS A 11 14.908 4.341 -0.300 1.00 0.00 H new ATOM 0 HB2 LYS A 11 16.049 2.013 1.255 1.00 0.00 H new ATOM 0 HB3 LYS A 11 16.893 3.504 0.889 1.00 0.00 H new ATOM 0 HG2 LYS A 11 14.481 3.130 2.692 1.00 0.00 H new ATOM 0 HG3 LYS A 11 16.091 3.653 3.148 1.00 0.00 H new ATOM 0 HD2 LYS A 11 14.054 5.218 1.533 1.00 0.00 H new ATOM 0 HD3 LYS A 11 14.567 5.542 3.177 1.00 0.00 H new ATOM 0 HE2 LYS A 11 16.778 6.218 2.429 1.00 0.00 H new ATOM 0 HE3 LYS A 11 16.443 5.692 0.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 16.171 8.068 1.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 14.681 7.344 0.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 15.005 7.853 2.237 1.00 0.00 H new ATOM 182 N THR A 12 15.391 1.463 -1.799 1.00 0.00 N ATOM 183 CA THR A 12 15.979 0.841 -2.968 1.00 0.00 C ATOM 184 C THR A 12 14.926 0.583 -4.033 1.00 0.00 C ATOM 185 O THR A 12 15.236 0.837 -5.195 1.00 0.00 O ATOM 186 CB THR A 12 16.763 -0.432 -2.609 1.00 0.00 C ATOM 187 OG1 THR A 12 15.997 -1.358 -1.860 1.00 0.00 O ATOM 188 CG2 THR A 12 18.018 -0.114 -1.804 1.00 0.00 C ATOM 0 H THR A 12 14.714 0.875 -1.312 1.00 0.00 H new ATOM 0 HA THR A 12 16.703 1.540 -3.386 1.00 0.00 H new ATOM 0 HB THR A 12 17.028 -0.877 -3.568 1.00 0.00 H new ATOM 0 HG1 THR A 12 16.542 -2.148 -1.661 1.00 0.00 H new ATOM 0 HG21 THR A 12 18.544 -1.039 -1.570 1.00 0.00 H new ATOM 0 HG22 THR A 12 18.670 0.536 -2.388 1.00 0.00 H new ATOM 0 HG23 THR A 12 17.739 0.389 -0.878 1.00 0.00 H new ATOM 196 N LEU A 13 13.675 0.215 -3.703 1.00 0.00 N ATOM 197 CA LEU A 13 12.695 -0.072 -4.758 1.00 0.00 C ATOM 198 C LEU A 13 11.398 0.684 -4.579 1.00 0.00 C ATOM 199 O LEU A 13 10.821 0.715 -3.494 1.00 0.00 O ATOM 200 CB LEU A 13 12.442 -1.583 -4.847 1.00 0.00 C ATOM 201 CG LEU A 13 11.540 -1.997 -6.027 1.00 0.00 C ATOM 202 CD1 LEU A 13 12.095 -1.546 -7.380 1.00 0.00 C ATOM 203 CD2 LEU A 13 11.369 -3.519 -6.018 1.00 0.00 C ATOM 0 H LEU A 13 13.330 0.113 -2.749 1.00 0.00 H new ATOM 0 HA LEU A 13 13.124 0.277 -5.698 1.00 0.00 H new ATOM 0 HB2 LEU A 13 13.399 -2.097 -4.936 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.984 -1.920 -3.917 1.00 0.00 H new ATOM 0 HG LEU A 13 10.578 -1.502 -5.897 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.420 -1.864 -8.174 1.00 0.00 H new ATOM 0 HD12 LEU A 13 12.184 -0.460 -7.393 1.00 0.00 H new ATOM 0 HD13 LEU A 13 13.077 -1.992 -7.538 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.732 -3.818 -6.850 1.00 0.00 H new ATOM 0 HD22 LEU A 13 12.344 -3.995 -6.118 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.909 -3.828 -5.079 1.00 0.00 H new ATOM 215 N LYS A 14 10.951 1.310 -5.667 1.00 0.00 N ATOM 216 CA LYS A 14 9.722 2.080 -5.700 1.00 0.00 C ATOM 217 C LYS A 14 8.819 1.530 -6.792 1.00 0.00 C ATOM 218 O LYS A 14 9.313 0.995 -7.790 1.00 0.00 O ATOM 219 CB LYS A 14 9.987 3.585 -5.895 1.00 0.00 C ATOM 220 CG LYS A 14 10.748 4.258 -4.740 1.00 0.00 C ATOM 221 CD LYS A 14 12.220 4.593 -4.994 1.00 0.00 C ATOM 222 CE LYS A 14 13.144 3.378 -5.065 1.00 0.00 C ATOM 223 NZ LYS A 14 14.566 3.765 -5.107 1.00 0.00 N ATOM 0 H LYS A 14 11.444 1.292 -6.560 1.00 0.00 H new ATOM 0 HA LYS A 14 9.223 1.981 -4.736 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.554 3.724 -6.816 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.032 4.094 -6.029 1.00 0.00 H new ATOM 0 HG2 LYS A 14 10.228 5.180 -4.481 1.00 0.00 H new ATOM 0 HG3 LYS A 14 10.692 3.605 -3.869 1.00 0.00 H new ATOM 0 HD2 LYS A 14 12.297 5.147 -5.929 1.00 0.00 H new ATOM 0 HD3 LYS A 14 12.571 5.254 -4.202 1.00 0.00 H new ATOM 0 HE2 LYS A 14 12.968 2.738 -4.200 1.00 0.00 H new ATOM 0 HE3 LYS A 14 12.902 2.790 -5.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 15.155 2.913 -5.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 14.730 4.396 -5.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 14.817 4.259 -4.227 1.00 0.00 H new ATOM 237 N GLY A 15 7.515 1.649 -6.612 1.00 0.00 N ATOM 238 CA GLY A 15 6.489 1.194 -7.543 1.00 0.00 C ATOM 239 C GLY A 15 5.102 1.577 -7.028 1.00 0.00 C ATOM 240 O GLY A 15 4.992 2.263 -6.008 1.00 0.00 O ATOM 0 H GLY A 15 7.122 2.084 -5.777 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.656 1.638 -8.525 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.553 0.113 -7.667 1.00 0.00 H new ATOM 244 N GLU A 16 4.039 1.169 -7.719 1.00 0.00 N ATOM 245 CA GLU A 16 2.651 1.444 -7.355 1.00 0.00 C ATOM 246 C GLU A 16 1.793 0.244 -7.761 1.00 0.00 C ATOM 247 O GLU A 16 2.137 -0.482 -8.697 1.00 0.00 O ATOM 248 CB GLU A 16 2.128 2.739 -8.026 1.00 0.00 C ATOM 249 CG GLU A 16 2.727 3.986 -7.361 1.00 0.00 C ATOM 250 CD GLU A 16 2.230 5.330 -7.894 1.00 0.00 C ATOM 251 OE1 GLU A 16 1.053 5.694 -7.672 1.00 0.00 O ATOM 252 OE2 GLU A 16 3.080 6.103 -8.396 1.00 0.00 O ATOM 0 H GLU A 16 4.123 0.620 -8.575 1.00 0.00 H new ATOM 0 HA GLU A 16 2.592 1.599 -6.278 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.382 2.731 -9.086 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.041 2.774 -7.959 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.517 3.941 -6.292 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.810 3.950 -7.475 1.00 0.00 H new ATOM 259 N THR A 17 0.694 0.000 -7.047 1.00 0.00 N ATOM 260 CA THR A 17 -0.236 -1.091 -7.328 1.00 0.00 C ATOM 261 C THR A 17 -1.635 -0.695 -6.835 1.00 0.00 C ATOM 262 O THR A 17 -1.767 0.258 -6.064 1.00 0.00 O ATOM 263 CB THR A 17 0.283 -2.417 -6.725 1.00 0.00 C ATOM 264 OG1 THR A 17 -0.431 -3.482 -7.319 1.00 0.00 O ATOM 265 CG2 THR A 17 0.202 -2.511 -5.191 1.00 0.00 C ATOM 0 H THR A 17 0.421 0.566 -6.243 1.00 0.00 H new ATOM 0 HA THR A 17 -0.308 -1.266 -8.401 1.00 0.00 H new ATOM 0 HB THR A 17 1.349 -2.468 -6.947 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.115 -4.333 -6.951 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.589 -3.476 -4.865 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.796 -1.713 -4.746 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.836 -2.410 -4.875 1.00 0.00 H new ATOM 273 N THR A 18 -2.682 -1.417 -7.232 1.00 0.00 N ATOM 274 CA THR A 18 -4.059 -1.147 -6.826 1.00 0.00 C ATOM 275 C THR A 18 -4.783 -2.457 -6.549 1.00 0.00 C ATOM 276 O THR A 18 -4.465 -3.481 -7.166 1.00 0.00 O ATOM 277 CB THR A 18 -4.817 -0.400 -7.944 1.00 0.00 C ATOM 278 OG1 THR A 18 -4.627 -1.028 -9.199 1.00 0.00 O ATOM 279 CG2 THR A 18 -4.379 1.054 -8.085 1.00 0.00 C ATOM 0 H THR A 18 -2.595 -2.220 -7.855 1.00 0.00 H new ATOM 0 HA THR A 18 -4.033 -0.531 -5.927 1.00 0.00 H new ATOM 0 HB THR A 18 -5.867 -0.430 -7.651 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.119 -0.536 -9.889 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.946 1.529 -8.886 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.562 1.582 -7.149 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.316 1.092 -8.321 1.00 0.00 H new ATOM 287 N THR A 19 -5.725 -2.450 -5.610 1.00 0.00 N ATOM 288 CA THR A 19 -6.515 -3.626 -5.297 1.00 0.00 C ATOM 289 C THR A 19 -7.915 -3.159 -4.904 1.00 0.00 C ATOM 290 O THR A 19 -8.066 -2.084 -4.313 1.00 0.00 O ATOM 291 CB THR A 19 -5.799 -4.490 -4.236 1.00 0.00 C ATOM 292 OG1 THR A 19 -6.203 -5.837 -4.358 1.00 0.00 O ATOM 293 CG2 THR A 19 -6.053 -4.046 -2.794 1.00 0.00 C ATOM 0 H THR A 19 -5.958 -1.630 -5.049 1.00 0.00 H new ATOM 0 HA THR A 19 -6.623 -4.285 -6.159 1.00 0.00 H new ATOM 0 HB THR A 19 -4.734 -4.368 -4.433 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.540 -6.417 -3.928 1.00 0.00 H new ATOM 0 HG21 THR A 19 -5.515 -4.703 -2.111 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.704 -3.022 -2.662 1.00 0.00 H new ATOM 0 HG23 THR A 19 -7.121 -4.096 -2.581 1.00 0.00 H new ATOM 301 N GLU A 20 -8.949 -3.907 -5.281 1.00 0.00 N ATOM 302 CA GLU A 20 -10.309 -3.566 -4.904 1.00 0.00 C ATOM 303 C GLU A 20 -10.540 -4.442 -3.690 1.00 0.00 C ATOM 304 O GLU A 20 -10.681 -5.656 -3.829 1.00 0.00 O ATOM 305 CB GLU A 20 -11.310 -3.852 -6.020 1.00 0.00 C ATOM 306 CG GLU A 20 -11.273 -2.725 -7.054 1.00 0.00 C ATOM 307 CD GLU A 20 -12.306 -2.940 -8.150 1.00 0.00 C ATOM 308 OE1 GLU A 20 -13.511 -3.029 -7.828 1.00 0.00 O ATOM 309 OE2 GLU A 20 -11.922 -3.048 -9.342 1.00 0.00 O ATOM 0 H GLU A 20 -8.866 -4.752 -5.847 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.445 -2.503 -4.703 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.074 -4.803 -6.497 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.314 -3.944 -5.605 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -11.458 -1.771 -6.561 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -10.278 -2.668 -7.496 1.00 0.00 H new ATOM 316 N ALA A 21 -10.523 -3.828 -2.514 1.00 0.00 N ATOM 317 CA ALA A 21 -10.703 -4.529 -1.249 1.00 0.00 C ATOM 318 C ALA A 21 -12.040 -4.154 -0.639 1.00 0.00 C ATOM 319 O ALA A 21 -12.552 -3.071 -0.911 1.00 0.00 O ATOM 320 CB ALA A 21 -9.556 -4.187 -0.301 1.00 0.00 C ATOM 0 H ALA A 21 -10.383 -2.823 -2.410 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.695 -5.605 -1.424 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.695 -4.713 0.643 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.610 -4.491 -0.750 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.543 -3.112 -0.119 1.00 0.00 H new ATOM 326 N VAL A 22 -12.574 -5.014 0.223 1.00 0.00 N ATOM 327 CA VAL A 22 -13.863 -4.792 0.886 1.00 0.00 C ATOM 328 C VAL A 22 -13.791 -3.632 1.876 1.00 0.00 C ATOM 329 O VAL A 22 -14.732 -2.843 1.968 1.00 0.00 O ATOM 330 CB VAL A 22 -14.411 -6.064 1.562 1.00 0.00 C ATOM 331 CG1 VAL A 22 -14.842 -7.084 0.504 1.00 0.00 C ATOM 332 CG2 VAL A 22 -13.442 -6.728 2.555 1.00 0.00 C ATOM 0 H VAL A 22 -12.125 -5.891 0.485 1.00 0.00 H new ATOM 0 HA VAL A 22 -14.569 -4.524 0.100 1.00 0.00 H new ATOM 0 HB VAL A 22 -15.267 -5.733 2.150 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -15.227 -7.977 0.996 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -15.621 -6.651 -0.123 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -13.985 -7.351 -0.114 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -13.910 -7.615 2.982 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -12.528 -7.015 2.035 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -13.200 -6.025 3.352 1.00 0.00 H new ATOM 342 N ASP A 23 -12.682 -3.476 2.589 1.00 0.00 N ATOM 343 CA ASP A 23 -12.477 -2.413 3.560 1.00 0.00 C ATOM 344 C ASP A 23 -10.995 -2.094 3.632 1.00 0.00 C ATOM 345 O ASP A 23 -10.167 -2.797 3.039 1.00 0.00 O ATOM 346 CB ASP A 23 -13.112 -2.737 4.923 1.00 0.00 C ATOM 347 CG ASP A 23 -12.574 -3.996 5.592 1.00 0.00 C ATOM 348 OD1 ASP A 23 -11.352 -4.097 5.796 1.00 0.00 O ATOM 349 OD2 ASP A 23 -13.411 -4.864 5.952 1.00 0.00 O ATOM 0 H ASP A 23 -11.881 -4.102 2.504 1.00 0.00 H new ATOM 0 HA ASP A 23 -12.997 -1.513 3.233 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.955 -1.891 5.592 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -14.189 -2.844 4.791 1.00 0.00 H new ATOM 354 N ALA A 24 -10.675 -0.982 4.297 1.00 0.00 N ATOM 355 CA ALA A 24 -9.306 -0.539 4.429 1.00 0.00 C ATOM 356 C ALA A 24 -8.469 -1.520 5.248 1.00 0.00 C ATOM 357 O ALA A 24 -7.264 -1.526 5.036 1.00 0.00 O ATOM 358 CB ALA A 24 -9.244 0.889 4.981 1.00 0.00 C ATOM 0 H ALA A 24 -11.358 -0.376 4.751 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.862 -0.518 3.434 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.203 1.199 5.071 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.767 1.564 4.303 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -9.718 0.921 5.962 1.00 0.00 H new ATOM 364 N ALA A 25 -9.039 -2.334 6.149 1.00 0.00 N ATOM 365 CA ALA A 25 -8.237 -3.287 6.914 1.00 0.00 C ATOM 366 C ALA A 25 -7.758 -4.359 5.934 1.00 0.00 C ATOM 367 O ALA A 25 -6.563 -4.626 5.834 1.00 0.00 O ATOM 368 CB ALA A 25 -9.035 -3.873 8.086 1.00 0.00 C ATOM 0 H ALA A 25 -10.037 -2.349 6.360 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.377 -2.796 7.370 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.411 -4.578 8.635 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.346 -3.069 8.752 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.916 -4.389 7.704 1.00 0.00 H new ATOM 374 N THR A 26 -8.664 -4.940 5.146 1.00 0.00 N ATOM 375 CA THR A 26 -8.327 -5.944 4.143 1.00 0.00 C ATOM 376 C THR A 26 -7.301 -5.352 3.174 1.00 0.00 C ATOM 377 O THR A 26 -6.331 -6.038 2.843 1.00 0.00 O ATOM 378 CB THR A 26 -9.590 -6.351 3.377 1.00 0.00 C ATOM 379 OG1 THR A 26 -10.584 -6.827 4.262 1.00 0.00 O ATOM 380 CG2 THR A 26 -9.374 -7.435 2.322 1.00 0.00 C ATOM 0 H THR A 26 -9.660 -4.723 5.189 1.00 0.00 H new ATOM 0 HA THR A 26 -7.908 -6.826 4.628 1.00 0.00 H new ATOM 0 HB THR A 26 -9.897 -5.438 2.867 1.00 0.00 H new ATOM 0 HG1 THR A 26 -11.141 -7.490 3.802 1.00 0.00 H new ATOM 0 HG21 THR A 26 -10.321 -7.659 1.831 1.00 0.00 H new ATOM 0 HG22 THR A 26 -8.656 -7.084 1.581 1.00 0.00 H new ATOM 0 HG23 THR A 26 -8.991 -8.337 2.800 1.00 0.00 H new ATOM 388 N ALA A 27 -7.507 -4.103 2.737 1.00 0.00 N ATOM 389 CA ALA A 27 -6.617 -3.424 1.813 1.00 0.00 C ATOM 390 C ALA A 27 -5.224 -3.283 2.421 1.00 0.00 C ATOM 391 O ALA A 27 -4.248 -3.701 1.811 1.00 0.00 O ATOM 392 CB ALA A 27 -7.186 -2.041 1.466 1.00 0.00 C ATOM 0 H ALA A 27 -8.307 -3.538 3.023 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.537 -4.016 0.901 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.515 -1.535 0.772 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.166 -2.156 1.003 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.282 -1.448 2.376 1.00 0.00 H new ATOM 398 N GLU A 28 -5.137 -2.750 3.641 1.00 0.00 N ATOM 399 CA GLU A 28 -3.905 -2.518 4.386 1.00 0.00 C ATOM 400 C GLU A 28 -3.071 -3.793 4.470 1.00 0.00 C ATOM 401 O GLU A 28 -1.863 -3.755 4.231 1.00 0.00 O ATOM 402 CB GLU A 28 -4.284 -1.973 5.770 1.00 0.00 C ATOM 403 CG GLU A 28 -3.099 -1.498 6.601 1.00 0.00 C ATOM 404 CD GLU A 28 -3.591 -0.877 7.902 1.00 0.00 C ATOM 405 OE1 GLU A 28 -3.818 -1.630 8.880 1.00 0.00 O ATOM 406 OE2 GLU A 28 -3.743 0.368 7.957 1.00 0.00 O ATOM 0 H GLU A 28 -5.965 -2.455 4.158 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.280 -1.785 3.875 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.980 -1.144 5.643 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.812 -2.751 6.322 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.436 -2.336 6.816 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.518 -0.768 6.037 1.00 0.00 H new ATOM 413 N LYS A 29 -3.727 -4.918 4.770 1.00 0.00 N ATOM 414 CA LYS A 29 -3.106 -6.231 4.882 1.00 0.00 C ATOM 415 C LYS A 29 -2.617 -6.700 3.519 1.00 0.00 C ATOM 416 O LYS A 29 -1.467 -7.125 3.407 1.00 0.00 O ATOM 417 CB LYS A 29 -4.115 -7.223 5.464 1.00 0.00 C ATOM 418 CG LYS A 29 -4.470 -6.886 6.919 1.00 0.00 C ATOM 419 CD LYS A 29 -5.465 -7.899 7.481 1.00 0.00 C ATOM 420 CE LYS A 29 -6.880 -7.725 6.944 1.00 0.00 C ATOM 421 NZ LYS A 29 -7.788 -8.680 7.601 1.00 0.00 N ATOM 0 H LYS A 29 -4.732 -4.936 4.945 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.246 -6.169 5.548 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -5.021 -7.218 4.858 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.704 -8.231 5.414 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.566 -6.881 7.527 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -4.895 -5.884 6.972 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.118 -8.905 7.247 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.484 -7.813 8.567 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.222 -6.705 7.120 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.891 -7.883 5.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.751 -8.555 7.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.467 -9.651 7.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.788 -8.509 8.627 1.00 0.00 H new ATOM 435 N VAL A 30 -3.465 -6.626 2.482 1.00 0.00 N ATOM 436 CA VAL A 30 -3.051 -7.047 1.139 1.00 0.00 C ATOM 437 C VAL A 30 -1.811 -6.255 0.733 1.00 0.00 C ATOM 438 O VAL A 30 -0.809 -6.824 0.297 1.00 0.00 O ATOM 439 CB VAL A 30 -4.206 -6.872 0.129 1.00 0.00 C ATOM 440 CG1 VAL A 30 -3.755 -6.924 -1.338 1.00 0.00 C ATOM 441 CG2 VAL A 30 -5.217 -7.995 0.350 1.00 0.00 C ATOM 0 H VAL A 30 -4.424 -6.285 2.546 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.800 -8.108 1.144 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.631 -5.884 0.304 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.619 -6.794 -1.989 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.036 -6.127 -1.526 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.289 -7.888 -1.541 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.041 -7.887 -0.356 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.731 -8.958 0.195 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.602 -7.942 1.368 1.00 0.00 H new ATOM 451 N PHE A 31 -1.866 -4.937 0.897 1.00 0.00 N ATOM 452 CA PHE A 31 -0.769 -4.065 0.552 1.00 0.00 C ATOM 453 C PHE A 31 0.470 -4.401 1.368 1.00 0.00 C ATOM 454 O PHE A 31 1.548 -4.440 0.784 1.00 0.00 O ATOM 455 CB PHE A 31 -1.216 -2.616 0.703 1.00 0.00 C ATOM 456 CG PHE A 31 -2.307 -2.205 -0.268 1.00 0.00 C ATOM 457 CD1 PHE A 31 -2.208 -2.502 -1.644 1.00 0.00 C ATOM 458 CD2 PHE A 31 -3.403 -1.460 0.197 1.00 0.00 C ATOM 459 CE1 PHE A 31 -3.154 -1.997 -2.549 1.00 0.00 C ATOM 460 CE2 PHE A 31 -4.349 -0.959 -0.707 1.00 0.00 C ATOM 461 CZ PHE A 31 -4.211 -1.202 -2.083 1.00 0.00 C ATOM 0 H PHE A 31 -2.679 -4.451 1.275 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.484 -4.215 -0.489 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.572 -2.460 1.721 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.354 -1.964 0.563 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.399 -3.122 -2.003 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -3.517 -1.273 1.255 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -3.068 -2.220 -3.602 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -5.188 -0.384 -0.344 1.00 0.00 H new ATOM 0 HZ PHE A 31 -4.917 -0.778 -2.781 1.00 0.00 H new ATOM 471 N LYS A 32 0.349 -4.666 2.674 1.00 0.00 N ATOM 472 CA LYS A 32 1.487 -5.024 3.521 1.00 0.00 C ATOM 473 C LYS A 32 2.193 -6.228 2.943 1.00 0.00 C ATOM 474 O LYS A 32 3.404 -6.195 2.740 1.00 0.00 O ATOM 475 CB LYS A 32 1.049 -5.341 4.965 1.00 0.00 C ATOM 476 CG LYS A 32 1.291 -4.165 5.913 1.00 0.00 C ATOM 477 CD LYS A 32 2.151 -4.553 7.111 1.00 0.00 C ATOM 478 CE LYS A 32 2.501 -3.269 7.849 1.00 0.00 C ATOM 479 NZ LYS A 32 3.349 -3.526 9.015 1.00 0.00 N ATOM 0 H LYS A 32 -0.541 -4.638 3.171 1.00 0.00 H new ATOM 0 HA LYS A 32 2.160 -4.167 3.549 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.010 -5.600 4.973 1.00 0.00 H new ATOM 0 HB3 LYS A 32 1.594 -6.214 5.325 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.776 -3.356 5.367 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.333 -3.782 6.265 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.612 -5.238 7.765 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.055 -5.068 6.785 1.00 0.00 H new ATOM 0 HE2 LYS A 32 3.013 -2.588 7.170 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.585 -2.772 8.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.566 -2.627 9.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.850 -4.156 9.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 4.234 -3.977 8.708 1.00 0.00 H new ATOM 493 N GLN A 33 1.433 -7.279 2.657 1.00 0.00 N ATOM 494 CA GLN A 33 1.962 -8.500 2.126 1.00 0.00 C ATOM 495 C GLN A 33 2.657 -8.204 0.811 1.00 0.00 C ATOM 496 O GLN A 33 3.735 -8.753 0.583 1.00 0.00 O ATOM 497 CB GLN A 33 0.810 -9.508 1.961 1.00 0.00 C ATOM 498 CG GLN A 33 1.215 -10.774 1.197 1.00 0.00 C ATOM 499 CD GLN A 33 2.180 -11.658 1.978 1.00 0.00 C ATOM 500 OE1 GLN A 33 1.777 -12.566 2.710 1.00 0.00 O ATOM 501 NE2 GLN A 33 3.465 -11.418 1.817 1.00 0.00 N ATOM 0 H GLN A 33 0.422 -7.293 2.794 1.00 0.00 H new ATOM 0 HA GLN A 33 2.698 -8.938 2.800 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.440 -9.790 2.947 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.014 -9.024 1.437 1.00 0.00 H new ATOM 0 HG2 GLN A 33 0.320 -11.348 0.955 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.676 -10.489 0.251 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.770 -10.661 1.206 1.00 0.00 H new ATOM 0 HE22 GLN A 33 4.155 -11.990 2.304 1.00 0.00 H new ATOM 510 N TYR A 34 2.052 -7.365 -0.032 1.00 0.00 N ATOM 511 CA TYR A 34 2.627 -7.054 -1.331 1.00 0.00 C ATOM 512 C TYR A 34 3.924 -6.268 -1.219 1.00 0.00 C ATOM 513 O TYR A 34 4.892 -6.541 -1.918 1.00 0.00 O ATOM 514 CB TYR A 34 1.609 -6.293 -2.182 1.00 0.00 C ATOM 515 CG TYR A 34 1.951 -6.325 -3.655 1.00 0.00 C ATOM 516 CD1 TYR A 34 1.715 -7.502 -4.388 1.00 0.00 C ATOM 517 CD2 TYR A 34 2.529 -5.206 -4.285 1.00 0.00 C ATOM 518 CE1 TYR A 34 2.030 -7.556 -5.754 1.00 0.00 C ATOM 519 CE2 TYR A 34 2.832 -5.250 -5.658 1.00 0.00 C ATOM 520 CZ TYR A 34 2.573 -6.425 -6.400 1.00 0.00 C ATOM 521 OH TYR A 34 2.780 -6.450 -7.743 1.00 0.00 O ATOM 0 H TYR A 34 1.169 -6.894 0.165 1.00 0.00 H new ATOM 0 HA TYR A 34 2.873 -7.999 -1.816 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.619 -6.724 -2.032 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.560 -5.257 -1.845 1.00 0.00 H new ATOM 0 HD1 TYR A 34 1.290 -8.366 -3.898 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.740 -4.314 -3.714 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.857 -8.464 -6.312 1.00 0.00 H new ATOM 0 HE2 TYR A 34 3.262 -4.387 -6.145 1.00 0.00 H new ATOM 0 HH TYR A 34 3.158 -5.593 -8.032 1.00 0.00 H new ATOM 531 N ALA A 35 3.977 -5.265 -0.356 1.00 0.00 N ATOM 532 CA ALA A 35 5.176 -4.464 -0.211 1.00 0.00 C ATOM 533 C ALA A 35 6.311 -5.286 0.374 1.00 0.00 C ATOM 534 O ALA A 35 7.416 -5.252 -0.162 1.00 0.00 O ATOM 535 CB ALA A 35 4.868 -3.266 0.658 1.00 0.00 C ATOM 0 H ALA A 35 3.205 -4.989 0.251 1.00 0.00 H new ATOM 0 HA ALA A 35 5.500 -4.120 -1.193 1.00 0.00 H new ATOM 0 HB1 ALA A 35 5.766 -2.658 0.772 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.083 -2.670 0.192 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.532 -3.604 1.638 1.00 0.00 H new ATOM 541 N ASN A 36 6.033 -6.046 1.433 1.00 0.00 N ATOM 542 CA ASN A 36 7.038 -6.874 2.089 1.00 0.00 C ATOM 543 C ASN A 36 7.549 -7.950 1.129 1.00 0.00 C ATOM 544 O ASN A 36 8.699 -8.362 1.245 1.00 0.00 O ATOM 545 CB ASN A 36 6.489 -7.456 3.399 1.00 0.00 C ATOM 546 CG ASN A 36 6.526 -8.969 3.453 1.00 0.00 C ATOM 547 OD1 ASN A 36 7.357 -9.557 4.126 1.00 0.00 O ATOM 548 ND2 ASN A 36 5.648 -9.627 2.727 1.00 0.00 N ATOM 0 H ASN A 36 5.107 -6.103 1.857 1.00 0.00 H new ATOM 0 HA ASN A 36 7.894 -6.256 2.358 1.00 0.00 H new ATOM 0 HB2 ASN A 36 7.065 -7.057 4.234 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.460 -7.121 3.533 1.00 0.00 H new ATOM 0 HD21 ASN A 36 5.654 -10.647 2.720 1.00 0.00 H new ATOM 0 HD22 ASN A 36 4.961 -9.117 2.171 1.00 0.00 H new ATOM 555 N ASP A 37 6.713 -8.382 0.180 1.00 0.00 N ATOM 556 CA ASP A 37 7.072 -9.381 -0.824 1.00 0.00 C ATOM 557 C ASP A 37 8.198 -8.795 -1.681 1.00 0.00 C ATOM 558 O ASP A 37 9.165 -9.481 -2.013 1.00 0.00 O ATOM 559 CB ASP A 37 5.838 -9.750 -1.653 1.00 0.00 C ATOM 560 CG ASP A 37 6.163 -10.730 -2.778 1.00 0.00 C ATOM 561 OD1 ASP A 37 6.849 -11.743 -2.528 1.00 0.00 O ATOM 562 OD2 ASP A 37 5.721 -10.487 -3.932 1.00 0.00 O ATOM 0 H ASP A 37 5.756 -8.041 0.089 1.00 0.00 H new ATOM 0 HA ASP A 37 7.425 -10.303 -0.362 1.00 0.00 H new ATOM 0 HB2 ASP A 37 5.083 -10.188 -1.000 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.405 -8.844 -2.078 1.00 0.00 H new ATOM 567 N ASN A 38 8.090 -7.500 -2.003 1.00 0.00 N ATOM 568 CA ASN A 38 9.088 -6.750 -2.773 1.00 0.00 C ATOM 569 C ASN A 38 10.227 -6.268 -1.860 1.00 0.00 C ATOM 570 O ASN A 38 11.158 -5.600 -2.314 1.00 0.00 O ATOM 571 CB ASN A 38 8.451 -5.541 -3.462 1.00 0.00 C ATOM 572 CG ASN A 38 7.473 -5.981 -4.526 1.00 0.00 C ATOM 573 OD1 ASN A 38 7.873 -6.365 -5.620 1.00 0.00 O ATOM 574 ND2 ASN A 38 6.192 -5.953 -4.227 1.00 0.00 N ATOM 0 H ASN A 38 7.288 -6.932 -1.729 1.00 0.00 H new ATOM 0 HA ASN A 38 9.491 -7.421 -3.531 1.00 0.00 H new ATOM 0 HB2 ASN A 38 7.938 -4.925 -2.723 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.228 -4.921 -3.910 1.00 0.00 H new ATOM 0 HD21 ASN A 38 5.501 -6.256 -4.914 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.890 -5.628 -3.308 1.00 0.00 H new ATOM 581 N GLY A 39 10.140 -6.553 -0.561 1.00 0.00 N ATOM 582 CA GLY A 39 11.115 -6.203 0.450 1.00 0.00 C ATOM 583 C GLY A 39 11.015 -4.773 0.930 1.00 0.00 C ATOM 584 O GLY A 39 12.024 -4.243 1.393 1.00 0.00 O ATOM 0 H GLY A 39 9.344 -7.060 -0.174 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.995 -6.871 1.303 1.00 0.00 H new ATOM 0 HA3 GLY A 39 12.115 -6.372 0.050 1.00 0.00 H new ATOM 588 N VAL A 40 9.844 -4.153 0.817 1.00 0.00 N ATOM 589 CA VAL A 40 9.570 -2.786 1.213 1.00 0.00 C ATOM 590 C VAL A 40 8.725 -2.778 2.477 1.00 0.00 C ATOM 591 O VAL A 40 7.588 -3.258 2.473 1.00 0.00 O ATOM 592 CB VAL A 40 8.788 -2.063 0.099 1.00 0.00 C ATOM 593 CG1 VAL A 40 8.549 -0.586 0.463 1.00 0.00 C ATOM 594 CG2 VAL A 40 9.454 -2.185 -1.271 1.00 0.00 C ATOM 0 H VAL A 40 9.024 -4.618 0.427 1.00 0.00 H new ATOM 0 HA VAL A 40 10.518 -2.278 1.392 1.00 0.00 H new ATOM 0 HB VAL A 40 7.824 -2.565 0.022 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.995 -0.099 -0.339 1.00 0.00 H new ATOM 0 HG12 VAL A 40 7.975 -0.527 1.388 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.507 -0.085 0.599 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.857 -1.656 -2.014 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.452 -1.749 -1.230 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.528 -3.237 -1.547 1.00 0.00 H new ATOM 604 N ASP A 41 9.250 -2.206 3.555 1.00 0.00 N ATOM 605 CA ASP A 41 8.502 -2.104 4.791 1.00 0.00 C ATOM 606 C ASP A 41 9.055 -0.915 5.557 1.00 0.00 C ATOM 607 O ASP A 41 10.059 -1.014 6.260 1.00 0.00 O ATOM 608 CB ASP A 41 8.561 -3.390 5.594 1.00 0.00 C ATOM 609 CG ASP A 41 7.617 -3.258 6.784 1.00 0.00 C ATOM 610 OD1 ASP A 41 6.467 -2.793 6.592 1.00 0.00 O ATOM 611 OD2 ASP A 41 7.984 -3.676 7.899 1.00 0.00 O ATOM 0 H ASP A 41 10.189 -1.808 3.593 1.00 0.00 H new ATOM 0 HA ASP A 41 7.443 -1.948 4.583 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.272 -4.238 4.973 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.579 -3.577 5.936 1.00 0.00 H new ATOM 616 N GLY A 42 8.431 0.238 5.356 1.00 0.00 N ATOM 617 CA GLY A 42 8.811 1.493 5.964 1.00 0.00 C ATOM 618 C GLY A 42 7.710 2.030 6.848 1.00 0.00 C ATOM 619 O GLY A 42 7.083 1.293 7.609 1.00 0.00 O ATOM 0 H GLY A 42 7.620 0.321 4.743 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.718 1.355 6.553 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.044 2.221 5.186 1.00 0.00 H new ATOM 623 N GLU A 43 7.528 3.342 6.784 1.00 0.00 N ATOM 624 CA GLU A 43 6.520 4.053 7.532 1.00 0.00 C ATOM 625 C GLU A 43 5.276 4.065 6.647 1.00 0.00 C ATOM 626 O GLU A 43 5.305 4.634 5.551 1.00 0.00 O ATOM 627 CB GLU A 43 7.042 5.464 7.822 1.00 0.00 C ATOM 628 CG GLU A 43 6.098 6.260 8.730 1.00 0.00 C ATOM 629 CD GLU A 43 6.480 7.737 8.814 1.00 0.00 C ATOM 630 OE1 GLU A 43 7.648 8.072 9.106 1.00 0.00 O ATOM 631 OE2 GLU A 43 5.610 8.603 8.546 1.00 0.00 O ATOM 0 H GLU A 43 8.096 3.950 6.193 1.00 0.00 H new ATOM 0 HA GLU A 43 6.283 3.593 8.491 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.023 5.396 8.292 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.175 6.000 6.882 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.078 6.172 8.356 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.109 5.827 9.730 1.00 0.00 H new ATOM 638 N TRP A 44 4.214 3.389 7.085 1.00 0.00 N ATOM 639 CA TRP A 44 2.967 3.313 6.341 1.00 0.00 C ATOM 640 C TRP A 44 2.080 4.515 6.666 1.00 0.00 C ATOM 641 O TRP A 44 1.878 4.853 7.836 1.00 0.00 O ATOM 642 CB TRP A 44 2.256 1.980 6.615 1.00 0.00 C ATOM 643 CG TRP A 44 2.962 0.772 6.069 1.00 0.00 C ATOM 644 CD1 TRP A 44 4.104 0.243 6.563 1.00 0.00 C ATOM 645 CD2 TRP A 44 2.627 -0.041 4.902 1.00 0.00 C ATOM 646 NE1 TRP A 44 4.493 -0.837 5.803 1.00 0.00 N ATOM 647 CE2 TRP A 44 3.628 -1.047 4.758 1.00 0.00 C ATOM 648 CE3 TRP A 44 1.599 -0.023 3.930 1.00 0.00 C ATOM 649 CZ2 TRP A 44 3.621 -1.968 3.707 1.00 0.00 C ATOM 650 CZ3 TRP A 44 1.582 -0.951 2.872 1.00 0.00 C ATOM 651 CH2 TRP A 44 2.596 -1.910 2.753 1.00 0.00 C ATOM 0 H TRP A 44 4.199 2.879 7.968 1.00 0.00 H new ATOM 0 HA TRP A 44 3.186 3.348 5.274 1.00 0.00 H new ATOM 0 HB2 TRP A 44 2.139 1.860 7.692 1.00 0.00 H new ATOM 0 HB3 TRP A 44 1.254 2.023 6.188 1.00 0.00 H new ATOM 0 HD1 TRP A 44 4.634 0.614 7.428 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.317 -1.407 5.992 1.00 0.00 H new ATOM 0 HE3 TRP A 44 0.814 0.715 4.001 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 4.396 -2.716 3.631 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 0.782 -0.924 2.147 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.588 -2.605 1.926 1.00 0.00 H new ATOM 662 N THR A 45 1.510 5.137 5.640 1.00 0.00 N ATOM 663 CA THR A 45 0.641 6.307 5.725 1.00 0.00 C ATOM 664 C THR A 45 -0.674 5.996 4.994 1.00 0.00 C ATOM 665 O THR A 45 -0.837 4.890 4.467 1.00 0.00 O ATOM 666 CB THR A 45 1.389 7.525 5.148 1.00 0.00 C ATOM 667 OG1 THR A 45 1.478 7.386 3.751 1.00 0.00 O ATOM 668 CG2 THR A 45 2.802 7.683 5.728 1.00 0.00 C ATOM 0 H THR A 45 1.648 4.824 4.679 1.00 0.00 H new ATOM 0 HA THR A 45 0.386 6.550 6.757 1.00 0.00 H new ATOM 0 HB THR A 45 0.824 8.416 5.421 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.992 6.580 3.535 1.00 0.00 H new ATOM 0 HG21 THR A 45 3.281 8.556 5.286 1.00 0.00 H new ATOM 0 HG22 THR A 45 2.739 7.812 6.809 1.00 0.00 H new ATOM 0 HG23 THR A 45 3.390 6.793 5.502 1.00 0.00 H new ATOM 676 N TYR A 46 -1.658 6.899 4.996 1.00 0.00 N ATOM 677 CA TYR A 46 -2.926 6.673 4.315 1.00 0.00 C ATOM 678 C TYR A 46 -3.601 8.002 4.014 1.00 0.00 C ATOM 679 O TYR A 46 -3.757 8.839 4.905 1.00 0.00 O ATOM 680 CB TYR A 46 -3.848 5.782 5.163 1.00 0.00 C ATOM 681 CG TYR A 46 -5.171 5.410 4.517 1.00 0.00 C ATOM 682 CD1 TYR A 46 -5.215 4.899 3.205 1.00 0.00 C ATOM 683 CD2 TYR A 46 -6.366 5.538 5.248 1.00 0.00 C ATOM 684 CE1 TYR A 46 -6.443 4.554 2.613 1.00 0.00 C ATOM 685 CE2 TYR A 46 -7.595 5.178 4.669 1.00 0.00 C ATOM 686 CZ TYR A 46 -7.644 4.704 3.338 1.00 0.00 C ATOM 687 OH TYR A 46 -8.836 4.440 2.734 1.00 0.00 O ATOM 0 H TYR A 46 -1.595 7.801 5.468 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.728 6.158 3.375 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.313 4.865 5.409 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.054 6.293 6.104 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -4.298 4.771 2.649 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -6.339 5.915 6.260 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.467 4.174 1.602 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -8.506 5.264 5.243 1.00 0.00 H new ATOM 0 HH TYR A 46 -9.347 5.271 2.642 1.00 0.00 H new ATOM 697 N ASP A 47 -4.015 8.169 2.766 1.00 0.00 N ATOM 698 CA ASP A 47 -4.699 9.318 2.212 1.00 0.00 C ATOM 699 C ASP A 47 -6.084 8.789 1.864 1.00 0.00 C ATOM 700 O ASP A 47 -6.376 8.495 0.702 1.00 0.00 O ATOM 701 CB ASP A 47 -3.968 9.861 0.970 1.00 0.00 C ATOM 702 CG ASP A 47 -2.710 10.650 1.312 1.00 0.00 C ATOM 703 OD1 ASP A 47 -2.840 11.673 2.023 1.00 0.00 O ATOM 704 OD2 ASP A 47 -1.615 10.298 0.819 1.00 0.00 O ATOM 0 H ASP A 47 -3.867 7.445 2.063 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.739 10.157 2.906 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -3.701 9.028 0.320 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.648 10.500 0.406 1.00 0.00 H new ATOM 709 N ASP A 48 -6.948 8.643 2.875 1.00 0.00 N ATOM 710 CA ASP A 48 -8.318 8.127 2.723 1.00 0.00 C ATOM 711 C ASP A 48 -9.087 8.886 1.648 1.00 0.00 C ATOM 712 O ASP A 48 -9.846 8.305 0.873 1.00 0.00 O ATOM 713 CB ASP A 48 -9.088 8.176 4.054 1.00 0.00 C ATOM 714 CG ASP A 48 -10.178 7.097 4.160 1.00 0.00 C ATOM 715 OD1 ASP A 48 -10.523 6.432 3.156 1.00 0.00 O ATOM 716 OD2 ASP A 48 -10.610 6.795 5.295 1.00 0.00 O ATOM 0 H ASP A 48 -6.714 8.883 3.838 1.00 0.00 H new ATOM 0 HA ASP A 48 -8.230 7.086 2.412 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.385 8.056 4.878 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -9.546 9.159 4.166 1.00 0.00 H new ATOM 721 N ALA A 49 -8.811 10.185 1.536 1.00 0.00 N ATOM 722 CA ALA A 49 -9.394 11.113 0.578 1.00 0.00 C ATOM 723 C ALA A 49 -9.320 10.583 -0.854 1.00 0.00 C ATOM 724 O ALA A 49 -10.212 10.863 -1.660 1.00 0.00 O ATOM 725 CB ALA A 49 -8.618 12.431 0.639 1.00 0.00 C ATOM 0 H ALA A 49 -8.135 10.640 2.149 1.00 0.00 H new ATOM 0 HA ALA A 49 -10.443 11.248 0.840 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -9.044 13.137 -0.074 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.685 12.846 1.645 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.572 12.250 0.390 1.00 0.00 H new ATOM 731 N THR A 50 -8.263 9.838 -1.177 1.00 0.00 N ATOM 732 CA THR A 50 -8.015 9.257 -2.487 1.00 0.00 C ATOM 733 C THR A 50 -7.738 7.745 -2.372 1.00 0.00 C ATOM 734 O THR A 50 -7.307 7.109 -3.333 1.00 0.00 O ATOM 735 CB THR A 50 -6.926 10.112 -3.158 1.00 0.00 C ATOM 736 OG1 THR A 50 -6.941 10.003 -4.569 1.00 0.00 O ATOM 737 CG2 THR A 50 -5.539 9.834 -2.579 1.00 0.00 C ATOM 0 H THR A 50 -7.530 9.617 -0.503 1.00 0.00 H new ATOM 0 HA THR A 50 -8.886 9.288 -3.142 1.00 0.00 H new ATOM 0 HB THR A 50 -7.167 11.149 -2.926 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.233 10.565 -4.948 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.802 10.460 -3.083 1.00 0.00 H new ATOM 0 HG22 THR A 50 -5.538 10.059 -1.513 1.00 0.00 H new ATOM 0 HG23 THR A 50 -5.286 8.784 -2.728 1.00 0.00 H new ATOM 745 N LYS A 51 -8.014 7.146 -1.207 1.00 0.00 N ATOM 746 CA LYS A 51 -7.847 5.729 -0.899 1.00 0.00 C ATOM 747 C LYS A 51 -6.449 5.197 -1.233 1.00 0.00 C ATOM 748 O LYS A 51 -6.324 4.053 -1.683 1.00 0.00 O ATOM 749 CB LYS A 51 -8.968 4.931 -1.597 1.00 0.00 C ATOM 750 CG LYS A 51 -10.376 5.495 -1.343 1.00 0.00 C ATOM 751 CD LYS A 51 -11.427 4.732 -2.153 1.00 0.00 C ATOM 752 CE LYS A 51 -11.873 3.444 -1.459 1.00 0.00 C ATOM 753 NZ LYS A 51 -12.985 3.696 -0.519 1.00 0.00 N ATOM 0 H LYS A 51 -8.380 7.671 -0.413 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.934 5.599 0.180 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.779 4.918 -2.670 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.933 3.897 -1.255 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.612 5.429 -0.281 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.402 6.551 -1.610 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -12.293 5.373 -2.315 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -11.021 4.491 -3.135 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -12.185 2.715 -2.207 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.031 3.008 -0.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.675 2.920 -0.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.614 3.752 0.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -13.450 4.594 -0.764 1.00 0.00 H new ATOM 767 N THR A 52 -5.405 5.985 -0.981 1.00 0.00 N ATOM 768 CA THR A 52 -4.040 5.581 -1.278 1.00 0.00 C ATOM 769 C THR A 52 -3.171 5.469 -0.029 1.00 0.00 C ATOM 770 O THR A 52 -3.169 6.383 0.791 1.00 0.00 O ATOM 771 CB THR A 52 -3.398 6.582 -2.258 1.00 0.00 C ATOM 772 OG1 THR A 52 -4.115 6.673 -3.474 1.00 0.00 O ATOM 773 CG2 THR A 52 -1.974 6.161 -2.625 1.00 0.00 C ATOM 0 H THR A 52 -5.485 6.914 -0.568 1.00 0.00 H new ATOM 0 HA THR A 52 -4.095 4.589 -1.727 1.00 0.00 H new ATOM 0 HB THR A 52 -3.406 7.542 -1.741 1.00 0.00 H new ATOM 0 HG1 THR A 52 -3.675 7.319 -4.065 1.00 0.00 H new ATOM 0 HG21 THR A 52 -1.547 6.886 -3.318 1.00 0.00 H new ATOM 0 HG22 THR A 52 -1.364 6.118 -1.723 1.00 0.00 H new ATOM 0 HG23 THR A 52 -1.995 5.178 -3.096 1.00 0.00 H new ATOM 781 N PHE A 53 -2.461 4.351 0.140 1.00 0.00 N ATOM 782 CA PHE A 53 -1.522 4.175 1.254 1.00 0.00 C ATOM 783 C PHE A 53 -0.132 4.410 0.645 1.00 0.00 C ATOM 784 O PHE A 53 0.056 4.249 -0.568 1.00 0.00 O ATOM 785 CB PHE A 53 -1.555 2.804 1.936 1.00 0.00 C ATOM 786 CG PHE A 53 -2.871 2.285 2.491 1.00 0.00 C ATOM 787 CD1 PHE A 53 -3.981 2.042 1.660 1.00 0.00 C ATOM 788 CD2 PHE A 53 -2.947 1.960 3.855 1.00 0.00 C ATOM 789 CE1 PHE A 53 -5.152 1.466 2.187 1.00 0.00 C ATOM 790 CE2 PHE A 53 -4.116 1.390 4.385 1.00 0.00 C ATOM 791 CZ PHE A 53 -5.218 1.138 3.552 1.00 0.00 C ATOM 0 H PHE A 53 -2.519 3.547 -0.485 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.794 4.870 2.048 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.190 2.071 1.217 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.839 2.829 2.758 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -3.934 2.299 0.612 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.102 2.149 4.500 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.998 1.276 1.544 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.168 1.145 5.436 1.00 0.00 H new ATOM 0 HZ PHE A 53 -6.114 0.693 3.959 1.00 0.00 H new ATOM 801 N THR A 54 0.842 4.868 1.424 1.00 0.00 N ATOM 802 CA THR A 54 2.197 5.124 0.934 1.00 0.00 C ATOM 803 C THR A 54 3.186 4.570 1.951 1.00 0.00 C ATOM 804 O THR A 54 3.107 4.916 3.128 1.00 0.00 O ATOM 805 CB THR A 54 2.360 6.614 0.605 1.00 0.00 C ATOM 806 OG1 THR A 54 1.366 6.972 -0.341 1.00 0.00 O ATOM 807 CG2 THR A 54 3.743 6.953 0.055 1.00 0.00 C ATOM 0 H THR A 54 0.717 5.073 2.415 1.00 0.00 H new ATOM 0 HA THR A 54 2.400 4.609 -0.005 1.00 0.00 H new ATOM 0 HB THR A 54 2.247 7.179 1.530 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.453 7.923 -0.563 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.798 8.020 -0.159 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.502 6.691 0.792 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.918 6.390 -0.862 1.00 0.00 H new ATOM 815 N VAL A 55 3.984 3.573 1.575 1.00 0.00 N ATOM 816 CA VAL A 55 4.969 2.972 2.461 1.00 0.00 C ATOM 817 C VAL A 55 6.301 3.575 2.071 1.00 0.00 C ATOM 818 O VAL A 55 6.818 3.275 0.995 1.00 0.00 O ATOM 819 CB VAL A 55 4.923 1.436 2.434 1.00 0.00 C ATOM 820 CG1 VAL A 55 5.037 0.775 1.060 1.00 0.00 C ATOM 821 CG2 VAL A 55 6.012 0.876 3.358 1.00 0.00 C ATOM 0 H VAL A 55 3.963 3.160 0.643 1.00 0.00 H new ATOM 0 HA VAL A 55 4.764 3.194 3.508 1.00 0.00 H new ATOM 0 HB VAL A 55 3.919 1.187 2.778 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.992 -0.308 1.172 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.215 1.109 0.426 1.00 0.00 H new ATOM 0 HG13 VAL A 55 5.985 1.053 0.600 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.980 -0.213 3.339 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.990 1.216 3.016 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.841 1.227 4.376 1.00 0.00 H new ATOM 831 N THR A 56 6.828 4.439 2.924 1.00 0.00 N ATOM 832 CA THR A 56 8.089 5.095 2.668 1.00 0.00 C ATOM 833 C THR A 56 9.146 4.518 3.584 1.00 0.00 C ATOM 834 O THR A 56 9.083 4.690 4.806 1.00 0.00 O ATOM 835 CB THR A 56 7.967 6.600 2.828 1.00 0.00 C ATOM 836 OG1 THR A 56 6.898 7.134 2.065 1.00 0.00 O ATOM 837 CG2 THR A 56 9.251 7.288 2.368 1.00 0.00 C ATOM 0 H THR A 56 6.392 4.701 3.808 1.00 0.00 H new ATOM 0 HA THR A 56 8.385 4.914 1.635 1.00 0.00 H new ATOM 0 HB THR A 56 7.780 6.784 3.886 1.00 0.00 H new ATOM 0 HG1 THR A 56 6.854 8.104 2.198 1.00 0.00 H new ATOM 0 HG21 THR A 56 9.149 8.367 2.488 1.00 0.00 H new ATOM 0 HG22 THR A 56 10.089 6.933 2.968 1.00 0.00 H new ATOM 0 HG23 THR A 56 9.432 7.056 1.319 1.00 0.00 H new ATOM 845 N GLU A 57 9.996 3.690 2.993 1.00 0.00 N ATOM 846 CA GLU A 57 11.115 3.060 3.662 1.00 0.00 C ATOM 847 C GLU A 57 12.119 4.188 3.895 1.00 0.00 C ATOM 848 O GLU A 57 12.108 5.176 3.121 1.00 0.00 O ATOM 849 CB GLU A 57 11.693 1.887 2.836 1.00 0.00 C ATOM 850 CG GLU A 57 12.108 0.733 3.741 1.00 0.00 C ATOM 851 CD GLU A 57 13.220 -0.123 3.140 1.00 0.00 C ATOM 852 OE1 GLU A 57 14.248 0.417 2.661 1.00 0.00 O ATOM 853 OE2 GLU A 57 13.054 -1.362 3.096 1.00 0.00 O ATOM 0 H GLU A 57 9.920 3.434 2.009 1.00 0.00 H new ATOM 0 HA GLU A 57 10.827 2.596 4.605 1.00 0.00 H new ATOM 0 HB2 GLU A 57 10.949 1.541 2.119 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.553 2.231 2.262 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.441 1.131 4.700 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.240 0.104 3.941 1.00 0.00 H new TER 860 GLU A 57