USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 888 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 41 MET CE :methyl -179:sc= -0.277 (180deg=-0.279) USER MOD Set 1.2: A 116 LYS NZ :NH3+ -162:sc= -0.0839 (180deg=-0.419) USER MOD Single : A 29 SER OG : rot 36:sc= 0.527 USER MOD Single : A 30 ASN : amide:sc= -1.25! K(o=-1.2!,f=-0.038) USER MOD Single : A 32 LYS NZ :NH3+ 153:sc= -0.107 (180deg=-0.628) USER MOD Single : A 33 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0847) USER MOD Single : A 40 LYS NZ :NH3+ -167:sc= -0.022 (180deg=-0.249) USER MOD Single : A 44 LYS NZ :NH3+ -167:sc= -0.0334 (180deg=-0.239) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.104 USER MOD Single : A 54 THR OG1 : rot 41:sc= 0.52 USER MOD Single : A 57 LYS NZ :NH3+ -162:sc= 1.25 (180deg=1.16) USER MOD Single : A 58 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.045) USER MOD Single : A 64 LYS NZ :NH3+ 136:sc= 0.234 (180deg=0) USER MOD Single : A 65 SER OG : rot 67:sc= 1.24 USER MOD Single : A 71 LYS NZ :NH3+ -164:sc= -0.055 (180deg=-0.314) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 160:sc= -0.0618 (180deg=-0.412) USER MOD Single : A 84 LYS NZ :NH3+ -150:sc= 1.16 (180deg=0.86) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 160:sc= 1.25 (180deg=0.492) USER MOD Single : A 92 LYS NZ :NH3+ 160:sc= 0.574 (180deg=-0.367) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 167:sc= 1.22 (180deg=1.07) USER MOD Single : A 97 ASN : amide:sc= -0.133 K(o=-0.13,f=-2.4!) USER MOD Single : A 104 LYS NZ :NH3+ -164:sc= 1.22 (180deg=1.11) USER MOD Single : A 106 THR OG1 : rot 124:sc= 1.32 USER MOD Single : A 107 SER OG : rot 180:sc= -0.2 USER MOD Single : A 112 LYS NZ :NH3+ -174:sc= 1.28 (180deg=1.21) USER MOD Single : A 119 SER OG : rot 87:sc= 1.13 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 22 -2.793 13.017 -3.464 1.00 1.16 N ATOM 2 CA GLY A 22 -3.719 12.040 -2.846 1.00 1.05 C ATOM 3 C GLY A 22 -3.279 10.616 -3.089 1.00 0.87 C ATOM 4 O GLY A 22 -3.714 9.985 -4.050 1.00 0.89 O ATOM 0 HA2 GLY A 22 -3.778 12.224 -1.773 1.00 1.05 H new ATOM 0 HA3 GLY A 22 -4.721 12.184 -3.249 1.00 1.05 H new ATOM 7 N LEU A 23 -2.420 10.104 -2.217 1.00 0.75 N ATOM 8 CA LEU A 23 -1.889 8.756 -2.363 1.00 0.62 C ATOM 9 C LEU A 23 -2.026 7.972 -1.063 1.00 0.51 C ATOM 10 O LEU A 23 -1.699 8.468 0.017 1.00 0.59 O ATOM 11 CB LEU A 23 -0.413 8.811 -2.776 1.00 0.75 C ATOM 12 CG LEU A 23 0.300 7.458 -2.836 1.00 1.22 C ATOM 13 CD1 LEU A 23 -0.249 6.607 -3.970 1.00 1.78 C ATOM 14 CD2 LEU A 23 1.801 7.653 -2.979 1.00 1.91 C ATOM 0 H LEU A 23 -2.075 10.605 -1.398 1.00 0.75 H new ATOM 0 HA LEU A 23 -2.464 8.249 -3.138 1.00 0.62 H new ATOM 0 HB2 LEU A 23 -0.344 9.283 -3.756 1.00 0.75 H new ATOM 0 HB3 LEU A 23 0.120 9.453 -2.075 1.00 0.75 H new ATOM 0 HG LEU A 23 0.113 6.930 -1.901 1.00 1.22 H new ATOM 0 HD11 LEU A 23 0.273 5.650 -3.993 1.00 1.78 H new ATOM 0 HD12 LEU A 23 -1.314 6.436 -3.814 1.00 1.78 H new ATOM 0 HD13 LEU A 23 -0.100 7.124 -4.918 1.00 1.78 H new ATOM 0 HD21 LEU A 23 2.292 6.681 -3.020 1.00 1.91 H new ATOM 0 HD22 LEU A 23 2.011 8.204 -3.896 1.00 1.91 H new ATOM 0 HD23 LEU A 23 2.178 8.214 -2.124 1.00 1.91 H new ATOM 26 N LEU A 24 -2.524 6.752 -1.180 1.00 0.40 N ATOM 27 CA LEU A 24 -2.621 5.844 -0.052 1.00 0.39 C ATOM 28 C LEU A 24 -1.842 4.575 -0.373 1.00 0.38 C ATOM 29 O LEU A 24 -2.168 3.867 -1.325 1.00 0.50 O ATOM 30 CB LEU A 24 -4.088 5.508 0.236 1.00 0.44 C ATOM 31 CG LEU A 24 -4.343 4.695 1.506 1.00 0.50 C ATOM 32 CD1 LEU A 24 -4.003 5.507 2.747 1.00 1.02 C ATOM 33 CD2 LEU A 24 -5.789 4.232 1.555 1.00 1.24 C ATOM 0 H LEU A 24 -2.871 6.365 -2.058 1.00 0.40 H new ATOM 0 HA LEU A 24 -2.201 6.317 0.835 1.00 0.39 H new ATOM 0 HB2 LEU A 24 -4.649 6.440 0.304 1.00 0.44 H new ATOM 0 HB3 LEU A 24 -4.489 4.956 -0.614 1.00 0.44 H new ATOM 0 HG LEU A 24 -3.696 3.818 1.486 1.00 0.50 H new ATOM 0 HD11 LEU A 24 -4.193 4.907 3.637 1.00 1.02 H new ATOM 0 HD12 LEU A 24 -2.951 5.792 2.719 1.00 1.02 H new ATOM 0 HD13 LEU A 24 -4.621 6.404 2.775 1.00 1.02 H new ATOM 0 HD21 LEU A 24 -5.956 3.655 2.464 1.00 1.24 H new ATOM 0 HD22 LEU A 24 -6.449 5.099 1.550 1.00 1.24 H new ATOM 0 HD23 LEU A 24 -6.001 3.609 0.686 1.00 1.24 H new ATOM 45 N VAL A 25 -0.808 4.298 0.405 1.00 0.37 N ATOM 46 CA VAL A 25 0.077 3.181 0.109 1.00 0.40 C ATOM 47 C VAL A 25 -0.195 1.995 1.029 1.00 0.42 C ATOM 48 O VAL A 25 -0.011 2.085 2.240 1.00 0.56 O ATOM 49 CB VAL A 25 1.563 3.583 0.243 1.00 0.49 C ATOM 50 CG1 VAL A 25 2.475 2.435 -0.169 1.00 0.95 C ATOM 51 CG2 VAL A 25 1.865 4.825 -0.582 1.00 0.84 C ATOM 0 H VAL A 25 -0.561 4.827 1.241 1.00 0.37 H new ATOM 0 HA VAL A 25 -0.125 2.892 -0.922 1.00 0.40 H new ATOM 0 HB VAL A 25 1.754 3.813 1.291 1.00 0.49 H new ATOM 0 HG11 VAL A 25 3.516 2.742 -0.066 1.00 0.95 H new ATOM 0 HG12 VAL A 25 2.286 1.573 0.471 1.00 0.95 H new ATOM 0 HG13 VAL A 25 2.277 2.167 -1.207 1.00 0.95 H new ATOM 0 HG21 VAL A 25 2.917 5.088 -0.471 1.00 0.84 H new ATOM 0 HG22 VAL A 25 1.649 4.626 -1.632 1.00 0.84 H new ATOM 0 HG23 VAL A 25 1.246 5.652 -0.235 1.00 0.84 H new ATOM 61 N LEU A 26 -0.641 0.893 0.454 1.00 0.46 N ATOM 62 CA LEU A 26 -0.786 -0.348 1.195 1.00 0.57 C ATOM 63 C LEU A 26 0.437 -1.203 0.915 1.00 0.51 C ATOM 64 O LEU A 26 0.810 -1.385 -0.242 1.00 0.58 O ATOM 65 CB LEU A 26 -2.050 -1.111 0.760 1.00 0.75 C ATOM 66 CG LEU A 26 -3.315 -0.270 0.578 1.00 0.74 C ATOM 67 CD1 LEU A 26 -4.466 -1.147 0.114 1.00 1.17 C ATOM 68 CD2 LEU A 26 -3.686 0.445 1.864 1.00 1.00 C ATOM 0 H LEU A 26 -0.910 0.832 -0.528 1.00 0.46 H new ATOM 0 HA LEU A 26 -0.878 -0.125 2.258 1.00 0.57 H new ATOM 0 HB2 LEU A 26 -1.837 -1.619 -0.181 1.00 0.75 H new ATOM 0 HB3 LEU A 26 -2.256 -1.884 1.500 1.00 0.75 H new ATOM 0 HG LEU A 26 -3.114 0.484 -0.183 1.00 0.74 H new ATOM 0 HD11 LEU A 26 -5.360 -0.537 -0.012 1.00 1.17 H new ATOM 0 HD12 LEU A 26 -4.208 -1.613 -0.837 1.00 1.17 H new ATOM 0 HD13 LEU A 26 -4.656 -1.921 0.858 1.00 1.17 H new ATOM 0 HD21 LEU A 26 -4.589 1.035 1.705 1.00 1.00 H new ATOM 0 HD22 LEU A 26 -3.866 -0.289 2.650 1.00 1.00 H new ATOM 0 HD23 LEU A 26 -2.870 1.103 2.163 1.00 1.00 H new ATOM 80 N ILE A 27 1.078 -1.705 1.949 1.00 0.50 N ATOM 81 CA ILE A 27 2.267 -2.514 1.759 1.00 0.49 C ATOM 82 C ILE A 27 2.413 -3.538 2.874 1.00 0.51 C ATOM 83 O ILE A 27 2.796 -3.209 3.998 1.00 0.72 O ATOM 84 CB ILE A 27 3.549 -1.638 1.649 1.00 0.59 C ATOM 85 CG1 ILE A 27 4.802 -2.523 1.610 1.00 0.87 C ATOM 86 CG2 ILE A 27 3.629 -0.628 2.790 1.00 1.00 C ATOM 87 CD1 ILE A 27 6.093 -1.754 1.427 1.00 0.96 C ATOM 0 H ILE A 27 0.801 -1.570 2.921 1.00 0.50 H new ATOM 0 HA ILE A 27 2.148 -3.046 0.815 1.00 0.49 H new ATOM 0 HB ILE A 27 3.496 -1.076 0.716 1.00 0.59 H new ATOM 0 HG12 ILE A 27 4.860 -3.095 2.536 1.00 0.87 H new ATOM 0 HG13 ILE A 27 4.701 -3.242 0.797 1.00 0.87 H new ATOM 0 HG21 ILE A 27 4.535 -0.031 2.685 1.00 1.00 H new ATOM 0 HG22 ILE A 27 2.758 0.027 2.758 1.00 1.00 H new ATOM 0 HG23 ILE A 27 3.651 -1.157 3.743 1.00 1.00 H new ATOM 0 HD11 ILE A 27 6.932 -2.450 1.410 1.00 0.96 H new ATOM 0 HD12 ILE A 27 6.059 -1.204 0.487 1.00 0.96 H new ATOM 0 HD13 ILE A 27 6.220 -1.054 2.253 1.00 0.96 H new ATOM 99 N TRP A 28 2.086 -4.784 2.569 1.00 0.45 N ATOM 100 CA TRP A 28 2.253 -5.844 3.537 1.00 0.48 C ATOM 101 C TRP A 28 3.357 -6.786 3.077 1.00 0.48 C ATOM 102 O TRP A 28 3.198 -7.623 2.185 1.00 0.49 O ATOM 103 CB TRP A 28 0.888 -6.512 3.857 1.00 0.56 C ATOM 104 CG TRP A 28 0.706 -7.992 3.606 1.00 0.89 C ATOM 105 CD1 TRP A 28 -0.300 -8.542 2.871 1.00 1.53 C ATOM 106 CD2 TRP A 28 1.479 -9.102 4.107 1.00 1.15 C ATOM 107 NE1 TRP A 28 -0.196 -9.906 2.866 1.00 2.09 N ATOM 108 CE2 TRP A 28 0.885 -10.274 3.614 1.00 1.83 C ATOM 109 CE3 TRP A 28 2.615 -9.224 4.908 1.00 1.19 C ATOM 110 CZ2 TRP A 28 1.384 -11.539 3.900 1.00 2.26 C ATOM 111 CZ3 TRP A 28 3.110 -10.478 5.189 1.00 1.61 C ATOM 112 CH2 TRP A 28 2.495 -11.623 4.686 1.00 2.06 C ATOM 0 H TRP A 28 1.708 -5.079 1.669 1.00 0.45 H new ATOM 0 HA TRP A 28 2.590 -5.449 4.495 1.00 0.48 H new ATOM 0 HB2 TRP A 28 0.675 -6.331 4.910 1.00 0.56 H new ATOM 0 HB3 TRP A 28 0.125 -5.987 3.282 1.00 0.56 H new ATOM 0 HD1 TRP A 28 -1.071 -7.981 2.364 1.00 1.53 H new ATOM 0 HE1 TRP A 28 -0.825 -10.546 2.381 1.00 2.09 H new ATOM 0 HE3 TRP A 28 3.101 -8.344 5.303 1.00 1.19 H new ATOM 0 HZ2 TRP A 28 0.907 -12.427 3.512 1.00 2.26 H new ATOM 0 HZ3 TRP A 28 3.989 -10.576 5.809 1.00 1.61 H new ATOM 0 HH2 TRP A 28 2.905 -12.593 4.923 1.00 2.06 H new ATOM 123 N SER A 29 4.520 -6.523 3.639 1.00 0.50 N ATOM 124 CA SER A 29 5.684 -7.367 3.509 1.00 0.54 C ATOM 125 C SER A 29 6.431 -7.326 4.831 1.00 0.60 C ATOM 126 O SER A 29 6.971 -6.279 5.191 1.00 0.87 O ATOM 127 CB SER A 29 6.572 -6.859 2.370 1.00 0.57 C ATOM 128 OG SER A 29 6.856 -5.477 2.524 1.00 1.29 O ATOM 0 H SER A 29 4.682 -5.695 4.212 1.00 0.50 H new ATOM 0 HA SER A 29 5.396 -8.392 3.274 1.00 0.54 H new ATOM 0 HB2 SER A 29 7.503 -7.425 2.350 1.00 0.57 H new ATOM 0 HB3 SER A 29 6.076 -7.028 1.414 1.00 0.57 H new ATOM 0 HG SER A 29 6.958 -5.268 3.476 1.00 1.29 H new ATOM 134 N ASN A 30 6.450 -8.420 5.577 1.00 0.65 N ATOM 135 CA ASN A 30 7.062 -8.380 6.898 1.00 0.69 C ATOM 136 C ASN A 30 8.575 -8.489 6.786 1.00 0.68 C ATOM 137 O ASN A 30 9.174 -9.521 7.095 1.00 0.75 O ATOM 138 CB ASN A 30 6.511 -9.505 7.782 1.00 0.81 C ATOM 139 CG ASN A 30 5.062 -9.293 8.188 1.00 1.55 C ATOM 140 OD1 ASN A 30 4.304 -10.253 8.332 1.00 2.33 O ATOM 141 ND2 ASN A 30 4.670 -8.044 8.399 1.00 2.23 N ATOM 0 H ASN A 30 6.061 -9.322 5.302 1.00 0.65 H new ATOM 0 HA ASN A 30 6.815 -7.425 7.361 1.00 0.69 H new ATOM 0 HB2 ASN A 30 6.597 -10.452 7.249 1.00 0.81 H new ATOM 0 HB3 ASN A 30 7.125 -9.587 8.679 1.00 0.81 H new ATOM 0 HD21 ASN A 30 3.712 -7.853 8.691 1.00 2.23 H new ATOM 0 HD22 ASN A 30 5.327 -7.275 8.269 1.00 2.23 H new ATOM 148 N ASP A 31 9.177 -7.407 6.324 1.00 0.63 N ATOM 149 CA ASP A 31 10.619 -7.261 6.293 1.00 0.64 C ATOM 150 C ASP A 31 11.028 -6.103 7.192 1.00 0.65 C ATOM 151 O ASP A 31 10.258 -5.163 7.381 1.00 0.78 O ATOM 152 CB ASP A 31 11.101 -7.028 4.864 1.00 0.67 C ATOM 153 CG ASP A 31 12.607 -6.943 4.781 1.00 0.72 C ATOM 154 OD1 ASP A 31 13.277 -7.980 4.976 1.00 1.45 O ATOM 155 OD2 ASP A 31 13.130 -5.844 4.521 1.00 1.13 O ATOM 0 H ASP A 31 8.673 -6.599 5.957 1.00 0.63 H new ATOM 0 HA ASP A 31 11.082 -8.178 6.659 1.00 0.64 H new ATOM 0 HB2 ASP A 31 10.748 -7.838 4.226 1.00 0.67 H new ATOM 0 HB3 ASP A 31 10.664 -6.106 4.480 1.00 0.67 H new ATOM 160 N LYS A 32 12.233 -6.156 7.736 1.00 0.69 N ATOM 161 CA LYS A 32 12.711 -5.083 8.602 1.00 0.77 C ATOM 162 C LYS A 32 13.149 -3.871 7.781 1.00 0.71 C ATOM 163 O LYS A 32 12.927 -2.728 8.182 1.00 0.77 O ATOM 164 CB LYS A 32 13.873 -5.561 9.481 1.00 0.97 C ATOM 165 CG LYS A 32 13.538 -6.716 10.425 1.00 1.52 C ATOM 166 CD LYS A 32 12.403 -6.381 11.388 1.00 2.06 C ATOM 167 CE LYS A 32 11.039 -6.781 10.831 1.00 2.28 C ATOM 168 NZ LYS A 32 10.934 -8.249 10.607 1.00 3.05 N ATOM 0 H LYS A 32 12.894 -6.920 7.597 1.00 0.69 H new ATOM 0 HA LYS A 32 11.882 -4.790 9.246 1.00 0.77 H new ATOM 0 HB2 LYS A 32 14.695 -5.867 8.835 1.00 0.97 H new ATOM 0 HB3 LYS A 32 14.230 -4.719 10.074 1.00 0.97 H new ATOM 0 HG2 LYS A 32 13.263 -7.592 9.837 1.00 1.52 H new ATOM 0 HG3 LYS A 32 14.427 -6.982 10.997 1.00 1.52 H new ATOM 0 HD2 LYS A 32 12.570 -6.892 12.336 1.00 2.06 H new ATOM 0 HD3 LYS A 32 12.409 -5.311 11.596 1.00 2.06 H new ATOM 0 HE2 LYS A 32 10.258 -6.464 11.522 1.00 2.28 H new ATOM 0 HE3 LYS A 32 10.864 -6.258 9.891 1.00 2.28 H new ATOM 0 HZ1 LYS A 32 9.938 -8.541 10.679 1.00 3.05 H new ATOM 0 HZ2 LYS A 32 11.296 -8.483 9.660 1.00 3.05 H new ATOM 0 HZ3 LYS A 32 11.494 -8.751 11.325 1.00 3.05 H new ATOM 182 N LYS A 33 13.741 -4.122 6.623 1.00 0.71 N ATOM 183 CA LYS A 33 14.321 -3.058 5.813 1.00 0.75 C ATOM 184 C LYS A 33 13.267 -2.386 4.943 1.00 0.64 C ATOM 185 O LYS A 33 13.190 -1.156 4.891 1.00 0.63 O ATOM 186 CB LYS A 33 15.441 -3.615 4.932 1.00 0.94 C ATOM 187 CG LYS A 33 16.515 -4.359 5.707 1.00 1.55 C ATOM 188 CD LYS A 33 17.546 -4.971 4.774 1.00 2.09 C ATOM 189 CE LYS A 33 18.539 -5.843 5.524 1.00 2.72 C ATOM 190 NZ LYS A 33 19.286 -5.081 6.559 1.00 3.16 N ATOM 0 H LYS A 33 13.833 -5.055 6.221 1.00 0.71 H new ATOM 0 HA LYS A 33 14.731 -2.310 6.491 1.00 0.75 H new ATOM 0 HB2 LYS A 33 15.008 -4.288 4.191 1.00 0.94 H new ATOM 0 HB3 LYS A 33 15.903 -2.793 4.385 1.00 0.94 H new ATOM 0 HG2 LYS A 33 17.008 -3.675 6.398 1.00 1.55 H new ATOM 0 HG3 LYS A 33 16.055 -5.143 6.308 1.00 1.55 H new ATOM 0 HD2 LYS A 33 17.040 -5.567 4.014 1.00 2.09 H new ATOM 0 HD3 LYS A 33 18.081 -4.177 4.253 1.00 2.09 H new ATOM 0 HE2 LYS A 33 18.009 -6.670 5.996 1.00 2.72 H new ATOM 0 HE3 LYS A 33 19.244 -6.279 4.816 1.00 2.72 H new ATOM 0 HZ1 LYS A 33 20.032 -5.683 6.962 1.00 3.16 H new ATOM 0 HZ2 LYS A 33 19.717 -4.239 6.127 1.00 3.16 H new ATOM 0 HZ3 LYS A 33 18.633 -4.787 7.313 1.00 3.16 H new ATOM 204 N LEU A 34 12.461 -3.200 4.263 1.00 0.62 N ATOM 205 CA LEU A 34 11.438 -2.691 3.351 1.00 0.61 C ATOM 206 C LEU A 34 10.516 -1.701 4.049 1.00 0.54 C ATOM 207 O LEU A 34 10.367 -0.568 3.601 1.00 0.61 O ATOM 208 CB LEU A 34 10.603 -3.834 2.764 1.00 0.66 C ATOM 209 CG LEU A 34 11.376 -4.852 1.917 1.00 0.80 C ATOM 210 CD1 LEU A 34 10.427 -5.877 1.317 1.00 1.22 C ATOM 211 CD2 LEU A 34 12.153 -4.151 0.818 1.00 1.59 C ATOM 0 H LEU A 34 12.497 -4.217 4.327 1.00 0.62 H new ATOM 0 HA LEU A 34 11.959 -2.178 2.543 1.00 0.61 H new ATOM 0 HB2 LEU A 34 10.118 -4.364 3.584 1.00 0.66 H new ATOM 0 HB3 LEU A 34 9.812 -3.404 2.150 1.00 0.66 H new ATOM 0 HG LEU A 34 12.082 -5.370 2.566 1.00 0.80 H new ATOM 0 HD11 LEU A 34 10.993 -6.591 0.719 1.00 1.22 H new ATOM 0 HD12 LEU A 34 9.908 -6.405 2.117 1.00 1.22 H new ATOM 0 HD13 LEU A 34 9.698 -5.371 0.684 1.00 1.22 H new ATOM 0 HD21 LEU A 34 12.695 -4.890 0.228 1.00 1.59 H new ATOM 0 HD22 LEU A 34 11.462 -3.608 0.174 1.00 1.59 H new ATOM 0 HD23 LEU A 34 12.861 -3.451 1.262 1.00 1.59 H new ATOM 223 N ILE A 35 9.919 -2.131 5.155 1.00 0.48 N ATOM 224 CA ILE A 35 8.960 -1.305 5.877 1.00 0.49 C ATOM 225 C ILE A 35 9.606 -0.014 6.371 1.00 0.48 C ATOM 226 O ILE A 35 9.008 1.058 6.283 1.00 0.53 O ATOM 227 CB ILE A 35 8.345 -2.065 7.074 1.00 0.55 C ATOM 228 CG1 ILE A 35 7.639 -3.332 6.586 1.00 0.61 C ATOM 229 CG2 ILE A 35 7.372 -1.173 7.838 1.00 0.64 C ATOM 230 CD1 ILE A 35 7.054 -4.171 7.700 1.00 1.01 C ATOM 0 H ILE A 35 10.083 -3.048 5.571 1.00 0.48 H new ATOM 0 HA ILE A 35 8.164 -1.058 5.175 1.00 0.49 H new ATOM 0 HB ILE A 35 9.149 -2.350 7.753 1.00 0.55 H new ATOM 0 HG12 ILE A 35 6.842 -3.051 5.898 1.00 0.61 H new ATOM 0 HG13 ILE A 35 8.348 -3.937 6.021 1.00 0.61 H new ATOM 0 HG21 ILE A 35 6.951 -1.728 8.676 1.00 0.64 H new ATOM 0 HG22 ILE A 35 7.900 -0.296 8.212 1.00 0.64 H new ATOM 0 HG23 ILE A 35 6.569 -0.857 7.172 1.00 0.64 H new ATOM 0 HD11 ILE A 35 6.570 -5.051 7.277 1.00 1.01 H new ATOM 0 HD12 ILE A 35 7.850 -4.484 8.376 1.00 1.01 H new ATOM 0 HD13 ILE A 35 6.320 -3.583 8.251 1.00 1.01 H new ATOM 242 N GLU A 36 10.838 -0.115 6.861 1.00 0.50 N ATOM 243 CA GLU A 36 11.529 1.040 7.416 1.00 0.53 C ATOM 244 C GLU A 36 11.781 2.100 6.345 1.00 0.48 C ATOM 245 O GLU A 36 11.358 3.250 6.491 1.00 0.51 O ATOM 246 CB GLU A 36 12.853 0.619 8.054 1.00 0.66 C ATOM 247 CG GLU A 36 13.561 1.752 8.777 1.00 1.22 C ATOM 248 CD GLU A 36 14.903 1.335 9.335 1.00 1.73 C ATOM 249 OE1 GLU A 36 15.913 1.459 8.615 1.00 2.62 O ATOM 250 OE2 GLU A 36 14.953 0.877 10.495 1.00 2.01 O ATOM 0 H GLU A 36 11.375 -0.982 6.884 1.00 0.50 H new ATOM 0 HA GLU A 36 10.887 1.473 8.183 1.00 0.53 H new ATOM 0 HB2 GLU A 36 12.667 -0.192 8.759 1.00 0.66 H new ATOM 0 HB3 GLU A 36 13.511 0.224 7.280 1.00 0.66 H new ATOM 0 HG2 GLU A 36 13.701 2.586 8.089 1.00 1.22 H new ATOM 0 HG3 GLU A 36 12.929 2.111 9.589 1.00 1.22 H new ATOM 257 N GLU A 37 12.451 1.711 5.264 1.00 0.48 N ATOM 258 CA GLU A 37 12.801 2.658 4.212 1.00 0.51 C ATOM 259 C GLU A 37 11.559 3.165 3.481 1.00 0.44 C ATOM 260 O GLU A 37 11.508 4.323 3.071 1.00 0.48 O ATOM 261 CB GLU A 37 13.791 2.046 3.214 1.00 0.65 C ATOM 262 CG GLU A 37 15.180 1.814 3.794 1.00 0.80 C ATOM 263 CD GLU A 37 16.226 1.549 2.723 1.00 0.91 C ATOM 264 OE1 GLU A 37 16.487 2.461 1.907 1.00 1.61 O ATOM 265 OE2 GLU A 37 16.804 0.440 2.700 1.00 1.55 O ATOM 0 H GLU A 37 12.760 0.754 5.095 1.00 0.48 H new ATOM 0 HA GLU A 37 13.284 3.507 4.695 1.00 0.51 H new ATOM 0 HB2 GLU A 37 13.393 1.096 2.857 1.00 0.65 H new ATOM 0 HB3 GLU A 37 13.873 2.703 2.348 1.00 0.65 H new ATOM 0 HG2 GLU A 37 15.476 2.686 4.377 1.00 0.80 H new ATOM 0 HG3 GLU A 37 15.146 0.968 4.480 1.00 0.80 H new ATOM 272 N ALA A 38 10.556 2.304 3.327 1.00 0.40 N ATOM 273 CA ALA A 38 9.317 2.699 2.664 1.00 0.42 C ATOM 274 C ALA A 38 8.567 3.740 3.490 1.00 0.39 C ATOM 275 O ALA A 38 8.095 4.747 2.957 1.00 0.42 O ATOM 276 CB ALA A 38 8.432 1.488 2.409 1.00 0.50 C ATOM 0 H ALA A 38 10.576 1.336 3.649 1.00 0.40 H new ATOM 0 HA ALA A 38 9.577 3.145 1.704 1.00 0.42 H new ATOM 0 HB1 ALA A 38 7.514 1.806 1.914 1.00 0.50 H new ATOM 0 HB2 ALA A 38 8.961 0.779 1.772 1.00 0.50 H new ATOM 0 HB3 ALA A 38 8.186 1.011 3.358 1.00 0.50 H new ATOM 282 N ARG A 39 8.475 3.494 4.793 1.00 0.41 N ATOM 283 CA ARG A 39 7.811 4.412 5.710 1.00 0.50 C ATOM 284 C ARG A 39 8.463 5.789 5.662 1.00 0.46 C ATOM 285 O ARG A 39 7.773 6.800 5.565 1.00 0.52 O ATOM 286 CB ARG A 39 7.854 3.855 7.140 1.00 0.62 C ATOM 287 CG ARG A 39 7.286 4.794 8.197 1.00 1.18 C ATOM 288 CD ARG A 39 5.834 5.153 7.923 1.00 1.43 C ATOM 289 NE ARG A 39 5.282 6.011 8.971 1.00 1.88 N ATOM 290 CZ ARG A 39 4.298 6.889 8.788 1.00 2.58 C ATOM 291 NH1 ARG A 39 3.752 7.044 7.588 1.00 2.84 N ATOM 292 NH2 ARG A 39 3.862 7.616 9.809 1.00 3.48 N ATOM 0 H ARG A 39 8.855 2.660 5.240 1.00 0.41 H new ATOM 0 HA ARG A 39 6.771 4.514 5.401 1.00 0.50 H new ATOM 0 HB2 ARG A 39 7.300 2.917 7.169 1.00 0.62 H new ATOM 0 HB3 ARG A 39 8.888 3.622 7.396 1.00 0.62 H new ATOM 0 HG2 ARG A 39 7.364 4.325 9.178 1.00 1.18 H new ATOM 0 HG3 ARG A 39 7.884 5.705 8.231 1.00 1.18 H new ATOM 0 HD2 ARG A 39 5.760 5.660 6.961 1.00 1.43 H new ATOM 0 HD3 ARG A 39 5.241 4.241 7.849 1.00 1.43 H new ATOM 0 HE ARG A 39 5.679 5.931 9.907 1.00 1.88 H new ATOM 0 HH11 ARG A 39 4.086 6.489 6.800 1.00 2.84 H new ATOM 0 HH12 ARG A 39 2.998 7.718 7.454 1.00 2.84 H new ATOM 0 HH21 ARG A 39 4.281 7.502 10.732 1.00 3.48 H new ATOM 0 HH22 ARG A 39 3.108 8.289 9.671 1.00 3.48 H new ATOM 306 N LYS A 40 9.788 5.820 5.709 1.00 0.45 N ATOM 307 CA LYS A 40 10.525 7.079 5.716 1.00 0.49 C ATOM 308 C LYS A 40 10.418 7.797 4.371 1.00 0.42 C ATOM 309 O LYS A 40 10.291 9.020 4.320 1.00 0.47 O ATOM 310 CB LYS A 40 11.992 6.832 6.073 1.00 0.62 C ATOM 311 CG LYS A 40 12.179 6.278 7.476 1.00 1.06 C ATOM 312 CD LYS A 40 13.645 6.074 7.815 1.00 1.58 C ATOM 313 CE LYS A 40 13.812 5.514 9.218 1.00 2.12 C ATOM 314 NZ LYS A 40 13.257 6.425 10.254 1.00 2.95 N ATOM 0 H LYS A 40 10.376 4.987 5.743 1.00 0.45 H new ATOM 0 HA LYS A 40 10.079 7.724 6.473 1.00 0.49 H new ATOM 0 HB2 LYS A 40 12.423 6.136 5.353 1.00 0.62 H new ATOM 0 HB3 LYS A 40 12.544 7.767 5.981 1.00 0.62 H new ATOM 0 HG2 LYS A 40 11.731 6.961 8.198 1.00 1.06 H new ATOM 0 HG3 LYS A 40 11.651 5.329 7.565 1.00 1.06 H new ATOM 0 HD2 LYS A 40 14.097 5.394 7.093 1.00 1.58 H new ATOM 0 HD3 LYS A 40 14.175 7.023 7.734 1.00 1.58 H new ATOM 0 HE2 LYS A 40 13.315 4.546 9.283 1.00 2.12 H new ATOM 0 HE3 LYS A 40 14.870 5.343 9.416 1.00 2.12 H new ATOM 0 HZ1 LYS A 40 13.581 6.120 11.194 1.00 2.95 H new ATOM 0 HZ2 LYS A 40 13.583 7.396 10.073 1.00 2.95 H new ATOM 0 HZ3 LYS A 40 12.218 6.397 10.220 1.00 2.95 H new ATOM 328 N MET A 41 10.449 7.031 3.287 1.00 0.39 N ATOM 329 CA MET A 41 10.343 7.595 1.943 1.00 0.41 C ATOM 330 C MET A 41 8.971 8.237 1.744 1.00 0.42 C ATOM 331 O MET A 41 8.839 9.284 1.107 1.00 0.52 O ATOM 332 CB MET A 41 10.565 6.500 0.898 1.00 0.48 C ATOM 333 CG MET A 41 10.753 7.026 -0.514 1.00 0.69 C ATOM 334 SD MET A 41 12.255 8.008 -0.689 1.00 1.10 S ATOM 335 CE MET A 41 12.229 8.337 -2.447 1.00 1.55 C ATOM 0 H MET A 41 10.547 6.016 3.311 1.00 0.39 H new ATOM 0 HA MET A 41 11.108 8.362 1.823 1.00 0.41 H new ATOM 0 HB2 MET A 41 11.442 5.917 1.178 1.00 0.48 H new ATOM 0 HB3 MET A 41 9.713 5.820 0.912 1.00 0.48 H new ATOM 0 HG2 MET A 41 10.788 6.187 -1.209 1.00 0.69 H new ATOM 0 HG3 MET A 41 9.891 7.633 -0.790 1.00 0.69 H new ATOM 0 HE1 MET A 41 13.107 8.923 -2.721 1.00 1.55 H new ATOM 0 HE2 MET A 41 12.237 7.394 -2.994 1.00 1.55 H new ATOM 0 HE3 MET A 41 11.327 8.895 -2.699 1.00 1.55 H new ATOM 345 N ALA A 42 7.956 7.594 2.295 1.00 0.40 N ATOM 346 CA ALA A 42 6.598 8.096 2.250 1.00 0.49 C ATOM 347 C ALA A 42 6.404 9.239 3.244 1.00 0.51 C ATOM 348 O ALA A 42 5.711 10.213 2.956 1.00 0.59 O ATOM 349 CB ALA A 42 5.639 6.957 2.541 1.00 0.58 C ATOM 0 H ALA A 42 8.053 6.706 2.787 1.00 0.40 H new ATOM 0 HA ALA A 42 6.395 8.493 1.255 1.00 0.49 H new ATOM 0 HB1 ALA A 42 4.614 7.327 2.509 1.00 0.58 H new ATOM 0 HB2 ALA A 42 5.766 6.174 1.793 1.00 0.58 H new ATOM 0 HB3 ALA A 42 5.847 6.550 3.531 1.00 0.58 H new ATOM 355 N GLU A 43 7.025 9.118 4.414 1.00 0.50 N ATOM 356 CA GLU A 43 6.946 10.153 5.443 1.00 0.60 C ATOM 357 C GLU A 43 7.581 11.448 4.942 1.00 0.62 C ATOM 358 O GLU A 43 7.170 12.544 5.327 1.00 0.73 O ATOM 359 CB GLU A 43 7.639 9.682 6.728 1.00 0.67 C ATOM 360 CG GLU A 43 7.558 10.676 7.875 1.00 0.97 C ATOM 361 CD GLU A 43 8.246 10.177 9.128 1.00 1.62 C ATOM 362 OE1 GLU A 43 7.548 9.735 10.063 1.00 2.16 O ATOM 363 OE2 GLU A 43 9.492 10.226 9.189 1.00 2.38 O ATOM 0 H GLU A 43 7.591 8.310 4.675 1.00 0.50 H new ATOM 0 HA GLU A 43 5.896 10.343 5.665 1.00 0.60 H new ATOM 0 HB2 GLU A 43 7.192 8.740 7.045 1.00 0.67 H new ATOM 0 HB3 GLU A 43 8.688 9.480 6.510 1.00 0.67 H new ATOM 0 HG2 GLU A 43 8.011 11.618 7.567 1.00 0.97 H new ATOM 0 HG3 GLU A 43 6.511 10.883 8.098 1.00 0.97 H new ATOM 370 N LYS A 44 8.573 11.304 4.068 1.00 0.58 N ATOM 371 CA LYS A 44 9.241 12.442 3.444 1.00 0.66 C ATOM 372 C LYS A 44 8.235 13.371 2.769 1.00 0.66 C ATOM 373 O LYS A 44 8.335 14.592 2.873 1.00 0.70 O ATOM 374 CB LYS A 44 10.256 11.947 2.408 1.00 0.76 C ATOM 375 CG LYS A 44 10.942 13.066 1.637 1.00 1.29 C ATOM 376 CD LYS A 44 11.883 12.526 0.570 1.00 1.69 C ATOM 377 CE LYS A 44 13.028 11.726 1.175 1.00 2.09 C ATOM 378 NZ LYS A 44 13.856 12.547 2.097 1.00 2.20 N ATOM 0 H LYS A 44 8.936 10.398 3.773 1.00 0.58 H new ATOM 0 HA LYS A 44 9.755 13.001 4.226 1.00 0.66 H new ATOM 0 HB2 LYS A 44 11.014 11.348 2.913 1.00 0.76 H new ATOM 0 HB3 LYS A 44 9.749 11.289 1.702 1.00 0.76 H new ATOM 0 HG2 LYS A 44 10.188 13.700 1.169 1.00 1.29 H new ATOM 0 HG3 LYS A 44 11.501 13.694 2.330 1.00 1.29 H new ATOM 0 HD2 LYS A 44 11.324 11.895 -0.121 1.00 1.69 H new ATOM 0 HD3 LYS A 44 12.287 13.355 -0.011 1.00 1.69 H new ATOM 0 HE2 LYS A 44 12.626 10.869 1.715 1.00 2.09 H new ATOM 0 HE3 LYS A 44 13.657 11.333 0.376 1.00 2.09 H new ATOM 0 HZ1 LYS A 44 14.739 12.042 2.313 1.00 2.20 H new ATOM 0 HZ2 LYS A 44 14.079 13.457 1.646 1.00 2.20 H new ATOM 0 HZ3 LYS A 44 13.330 12.717 2.978 1.00 2.20 H new ATOM 392 N ALA A 45 7.264 12.786 2.084 1.00 0.67 N ATOM 393 CA ALA A 45 6.279 13.567 1.349 1.00 0.74 C ATOM 394 C ALA A 45 4.918 13.537 2.044 1.00 0.73 C ATOM 395 O ALA A 45 3.920 14.007 1.495 1.00 0.81 O ATOM 396 CB ALA A 45 6.179 13.057 -0.080 1.00 0.82 C ATOM 0 H ALA A 45 7.137 11.776 2.021 1.00 0.67 H new ATOM 0 HA ALA A 45 6.605 14.607 1.326 1.00 0.74 H new ATOM 0 HB1 ALA A 45 5.441 13.645 -0.625 1.00 0.82 H new ATOM 0 HB2 ALA A 45 7.149 13.150 -0.568 1.00 0.82 H new ATOM 0 HB3 ALA A 45 5.875 12.010 -0.072 1.00 0.82 H new ATOM 402 N ASN A 46 4.898 12.957 3.245 1.00 0.69 N ATOM 403 CA ASN A 46 3.715 12.952 4.114 1.00 0.72 C ATOM 404 C ASN A 46 2.612 12.062 3.555 1.00 0.67 C ATOM 405 O ASN A 46 1.464 12.482 3.407 1.00 0.84 O ATOM 406 CB ASN A 46 3.189 14.374 4.353 1.00 0.87 C ATOM 407 CG ASN A 46 4.076 15.170 5.291 1.00 1.46 C ATOM 408 OD1 ASN A 46 5.036 15.814 4.864 1.00 2.13 O ATOM 409 ND2 ASN A 46 3.757 15.139 6.576 1.00 2.13 N ATOM 0 H ASN A 46 5.703 12.475 3.646 1.00 0.69 H new ATOM 0 HA ASN A 46 4.026 12.539 5.073 1.00 0.72 H new ATOM 0 HB2 ASN A 46 3.114 14.896 3.399 1.00 0.87 H new ATOM 0 HB3 ASN A 46 2.182 14.321 4.767 1.00 0.87 H new ATOM 0 HD21 ASN A 46 4.314 15.661 7.253 1.00 2.13 H new ATOM 0 HD22 ASN A 46 2.954 14.593 6.889 1.00 2.13 H new ATOM 416 N LEU A 47 2.975 10.829 3.248 1.00 0.51 N ATOM 417 CA LEU A 47 2.026 9.850 2.739 1.00 0.51 C ATOM 418 C LEU A 47 1.482 8.984 3.867 1.00 0.46 C ATOM 419 O LEU A 47 2.075 8.903 4.946 1.00 0.56 O ATOM 420 CB LEU A 47 2.694 8.955 1.693 1.00 0.58 C ATOM 421 CG LEU A 47 2.860 9.544 0.294 1.00 0.69 C ATOM 422 CD1 LEU A 47 1.531 10.036 -0.245 1.00 1.00 C ATOM 423 CD2 LEU A 47 3.877 10.662 0.275 1.00 1.18 C ATOM 0 H LEU A 47 3.928 10.478 3.343 1.00 0.51 H new ATOM 0 HA LEU A 47 1.200 10.393 2.279 1.00 0.51 H new ATOM 0 HB2 LEU A 47 3.680 8.675 2.064 1.00 0.58 H new ATOM 0 HB3 LEU A 47 2.113 8.037 1.609 1.00 0.58 H new ATOM 0 HG LEU A 47 3.228 8.746 -0.351 1.00 0.69 H new ATOM 0 HD11 LEU A 47 1.674 10.451 -1.243 1.00 1.00 H new ATOM 0 HD12 LEU A 47 0.828 9.204 -0.296 1.00 1.00 H new ATOM 0 HD13 LEU A 47 1.134 10.807 0.415 1.00 1.00 H new ATOM 0 HD21 LEU A 47 3.967 11.055 -0.738 1.00 1.18 H new ATOM 0 HD22 LEU A 47 3.555 11.458 0.946 1.00 1.18 H new ATOM 0 HD23 LEU A 47 4.844 10.280 0.603 1.00 1.18 H new ATOM 435 N TYR A 48 0.357 8.331 3.608 1.00 0.49 N ATOM 436 CA TYR A 48 -0.259 7.442 4.582 1.00 0.54 C ATOM 437 C TYR A 48 -0.126 6.002 4.103 1.00 0.46 C ATOM 438 O TYR A 48 -0.464 5.691 2.960 1.00 0.58 O ATOM 439 CB TYR A 48 -1.740 7.800 4.776 1.00 0.64 C ATOM 440 CG TYR A 48 -1.983 9.266 5.060 1.00 0.77 C ATOM 441 CD1 TYR A 48 -2.028 9.747 6.363 1.00 1.51 C ATOM 442 CD2 TYR A 48 -2.167 10.172 4.022 1.00 1.31 C ATOM 443 CE1 TYR A 48 -2.252 11.086 6.621 1.00 1.61 C ATOM 444 CE2 TYR A 48 -2.390 11.511 4.272 1.00 1.43 C ATOM 445 CZ TYR A 48 -2.432 11.963 5.572 1.00 1.09 C ATOM 446 OH TYR A 48 -2.656 13.299 5.826 1.00 1.28 O ATOM 0 H TYR A 48 -0.150 8.402 2.726 1.00 0.49 H new ATOM 0 HA TYR A 48 0.248 7.555 5.540 1.00 0.54 H new ATOM 0 HB2 TYR A 48 -2.293 7.517 3.880 1.00 0.64 H new ATOM 0 HB3 TYR A 48 -2.142 7.209 5.599 1.00 0.64 H new ATOM 0 HD1 TYR A 48 -1.886 9.064 7.187 1.00 1.51 H new ATOM 0 HD2 TYR A 48 -2.135 9.822 3.001 1.00 1.31 H new ATOM 0 HE1 TYR A 48 -2.286 11.444 7.639 1.00 1.61 H new ATOM 0 HE2 TYR A 48 -2.531 12.200 3.453 1.00 1.43 H new ATOM 0 HH TYR A 48 -2.761 13.780 4.979 1.00 1.28 H new ATOM 456 N LEU A 49 0.381 5.128 4.962 1.00 0.46 N ATOM 457 CA LEU A 49 0.598 3.738 4.577 1.00 0.46 C ATOM 458 C LEU A 49 -0.182 2.801 5.480 1.00 0.50 C ATOM 459 O LEU A 49 -0.436 3.113 6.646 1.00 0.61 O ATOM 460 CB LEU A 49 2.087 3.351 4.640 1.00 0.66 C ATOM 461 CG LEU A 49 3.052 4.252 3.873 1.00 0.81 C ATOM 462 CD1 LEU A 49 3.487 5.420 4.741 1.00 1.76 C ATOM 463 CD2 LEU A 49 4.260 3.458 3.399 1.00 1.35 C ATOM 0 H LEU A 49 0.648 5.352 5.921 1.00 0.46 H new ATOM 0 HA LEU A 49 0.250 3.642 3.548 1.00 0.46 H new ATOM 0 HB2 LEU A 49 2.392 3.334 5.686 1.00 0.66 H new ATOM 0 HB3 LEU A 49 2.193 2.335 4.261 1.00 0.66 H new ATOM 0 HG LEU A 49 2.537 4.646 2.997 1.00 0.81 H new ATOM 0 HD11 LEU A 49 4.175 6.053 4.181 1.00 1.76 H new ATOM 0 HD12 LEU A 49 2.613 6.002 5.032 1.00 1.76 H new ATOM 0 HD13 LEU A 49 3.986 5.044 5.634 1.00 1.76 H new ATOM 0 HD21 LEU A 49 4.937 4.116 2.854 1.00 1.35 H new ATOM 0 HD22 LEU A 49 4.779 3.036 4.260 1.00 1.35 H new ATOM 0 HD23 LEU A 49 3.931 2.652 2.743 1.00 1.35 H new ATOM 475 N LEU A 50 -0.557 1.660 4.935 1.00 0.52 N ATOM 476 CA LEU A 50 -1.181 0.603 5.712 1.00 0.63 C ATOM 477 C LEU A 50 -0.325 -0.653 5.646 1.00 0.69 C ATOM 478 O LEU A 50 -0.054 -1.176 4.561 1.00 0.69 O ATOM 479 CB LEU A 50 -2.600 0.292 5.214 1.00 0.77 C ATOM 480 CG LEU A 50 -3.689 1.316 5.570 1.00 0.81 C ATOM 481 CD1 LEU A 50 -3.665 1.640 7.057 1.00 1.24 C ATOM 482 CD2 LEU A 50 -3.549 2.579 4.739 1.00 1.48 C ATOM 0 H LEU A 50 -0.439 1.439 3.946 1.00 0.52 H new ATOM 0 HA LEU A 50 -1.259 0.946 6.744 1.00 0.63 H new ATOM 0 HB2 LEU A 50 -2.567 0.192 4.129 1.00 0.77 H new ATOM 0 HB3 LEU A 50 -2.898 -0.677 5.615 1.00 0.77 H new ATOM 0 HG LEU A 50 -4.655 0.869 5.336 1.00 0.81 H new ATOM 0 HD11 LEU A 50 -4.445 2.367 7.284 1.00 1.24 H new ATOM 0 HD12 LEU A 50 -3.840 0.730 7.631 1.00 1.24 H new ATOM 0 HD13 LEU A 50 -2.693 2.056 7.323 1.00 1.24 H new ATOM 0 HD21 LEU A 50 -4.333 3.284 5.014 1.00 1.48 H new ATOM 0 HD22 LEU A 50 -2.574 3.030 4.924 1.00 1.48 H new ATOM 0 HD23 LEU A 50 -3.639 2.331 3.681 1.00 1.48 H new ATOM 494 N THR A 51 0.143 -1.099 6.799 1.00 0.85 N ATOM 495 CA THR A 51 0.866 -2.354 6.894 1.00 1.00 C ATOM 496 C THR A 51 0.315 -3.168 8.055 1.00 1.38 C ATOM 497 O THR A 51 0.701 -2.968 9.209 1.00 2.04 O ATOM 498 CB THR A 51 2.377 -2.115 7.103 1.00 1.42 C ATOM 499 OG1 THR A 51 2.889 -1.246 6.079 1.00 1.86 O ATOM 500 CG2 THR A 51 3.150 -3.428 7.089 1.00 2.07 C ATOM 0 H THR A 51 0.034 -0.607 7.686 1.00 0.85 H new ATOM 0 HA THR A 51 0.733 -2.898 5.959 1.00 1.00 H new ATOM 0 HB THR A 51 2.508 -1.646 8.078 1.00 1.42 H new ATOM 0 HG1 THR A 51 3.847 -1.101 6.223 1.00 1.86 H new ATOM 0 HG21 THR A 51 4.211 -3.227 7.238 1.00 2.07 H new ATOM 0 HG22 THR A 51 2.786 -4.073 7.889 1.00 2.07 H new ATOM 0 HG23 THR A 51 3.006 -3.925 6.129 1.00 2.07 H new ATOM 508 N LEU A 52 -0.584 -4.087 7.735 1.00 1.17 N ATOM 509 CA LEU A 52 -1.271 -4.889 8.739 1.00 1.66 C ATOM 510 C LEU A 52 -2.071 -6.004 8.059 1.00 1.10 C ATOM 511 O LEU A 52 -1.821 -6.315 6.895 1.00 1.25 O ATOM 512 CB LEU A 52 -2.162 -3.982 9.634 1.00 2.63 C ATOM 513 CG LEU A 52 -2.991 -2.917 8.890 1.00 2.95 C ATOM 514 CD1 LEU A 52 -4.221 -3.527 8.252 1.00 3.41 C ATOM 515 CD2 LEU A 52 -3.400 -1.774 9.816 1.00 3.43 C ATOM 0 H LEU A 52 -0.858 -4.298 6.775 1.00 1.17 H new ATOM 0 HA LEU A 52 -0.540 -5.365 9.392 1.00 1.66 H new ATOM 0 HB2 LEU A 52 -2.844 -4.618 10.199 1.00 2.63 H new ATOM 0 HB3 LEU A 52 -1.523 -3.478 10.359 1.00 2.63 H new ATOM 0 HG LEU A 52 -2.353 -2.511 8.105 1.00 2.95 H new ATOM 0 HD11 LEU A 52 -4.785 -2.751 7.735 1.00 3.41 H new ATOM 0 HD12 LEU A 52 -3.919 -4.293 7.538 1.00 3.41 H new ATOM 0 HD13 LEU A 52 -4.846 -3.977 9.024 1.00 3.41 H new ATOM 0 HD21 LEU A 52 -3.983 -1.043 9.256 1.00 3.43 H new ATOM 0 HD22 LEU A 52 -4.002 -2.167 10.635 1.00 3.43 H new ATOM 0 HD23 LEU A 52 -2.508 -1.295 10.219 1.00 3.43 H new ATOM 527 N GLU A 53 -2.998 -6.624 8.782 1.00 1.35 N ATOM 528 CA GLU A 53 -3.709 -7.788 8.256 1.00 1.60 C ATOM 529 C GLU A 53 -4.853 -7.381 7.326 1.00 1.84 C ATOM 530 O GLU A 53 -4.850 -7.725 6.145 1.00 2.34 O ATOM 531 CB GLU A 53 -4.244 -8.655 9.399 1.00 2.04 C ATOM 532 CG GLU A 53 -3.171 -9.109 10.378 1.00 2.24 C ATOM 533 CD GLU A 53 -2.033 -9.852 9.704 1.00 2.43 C ATOM 534 OE1 GLU A 53 -2.228 -11.022 9.312 1.00 2.97 O ATOM 535 OE2 GLU A 53 -0.934 -9.274 9.574 1.00 2.75 O ATOM 0 H GLU A 53 -3.274 -6.345 9.724 1.00 1.35 H new ATOM 0 HA GLU A 53 -2.994 -8.368 7.673 1.00 1.60 H new ATOM 0 HB2 GLU A 53 -5.005 -8.095 9.942 1.00 2.04 H new ATOM 0 HB3 GLU A 53 -4.734 -9.533 8.978 1.00 2.04 H new ATOM 0 HG2 GLU A 53 -2.772 -8.240 10.900 1.00 2.24 H new ATOM 0 HG3 GLU A 53 -3.623 -9.754 11.132 1.00 2.24 H new ATOM 542 N THR A 54 -5.848 -6.686 7.862 1.00 1.76 N ATOM 543 CA THR A 54 -6.976 -6.249 7.053 1.00 1.96 C ATOM 544 C THR A 54 -6.981 -4.727 6.898 1.00 1.44 C ATOM 545 O THR A 54 -7.303 -3.999 7.841 1.00 1.41 O ATOM 546 CB THR A 54 -8.307 -6.719 7.670 1.00 2.58 C ATOM 547 OG1 THR A 54 -8.403 -6.272 9.031 1.00 2.85 O ATOM 548 CG2 THR A 54 -8.419 -8.236 7.623 1.00 3.30 C ATOM 0 H THR A 54 -5.897 -6.415 8.844 1.00 1.76 H new ATOM 0 HA THR A 54 -6.870 -6.699 6.066 1.00 1.96 H new ATOM 0 HB THR A 54 -9.123 -6.290 7.088 1.00 2.58 H new ATOM 0 HG1 THR A 54 -8.065 -5.355 9.099 1.00 2.85 H new ATOM 0 HG21 THR A 54 -9.367 -8.545 8.064 1.00 3.30 H new ATOM 0 HG22 THR A 54 -8.374 -8.572 6.587 1.00 3.30 H new ATOM 0 HG23 THR A 54 -7.596 -8.679 8.184 1.00 3.30 H new ATOM 556 N ASP A 55 -6.643 -4.252 5.707 1.00 1.58 N ATOM 557 CA ASP A 55 -6.498 -2.813 5.468 1.00 1.57 C ATOM 558 C ASP A 55 -7.819 -2.170 5.071 1.00 1.40 C ATOM 559 O ASP A 55 -7.966 -0.954 5.151 1.00 1.25 O ATOM 560 CB ASP A 55 -5.464 -2.535 4.365 1.00 2.38 C ATOM 561 CG ASP A 55 -4.171 -3.304 4.553 1.00 3.04 C ATOM 562 OD1 ASP A 55 -3.241 -2.764 5.189 1.00 3.66 O ATOM 563 OD2 ASP A 55 -4.091 -4.448 4.062 1.00 3.51 O ATOM 0 H ASP A 55 -6.463 -4.836 4.890 1.00 1.58 H new ATOM 0 HA ASP A 55 -6.159 -2.377 6.408 1.00 1.57 H new ATOM 0 HB2 ASP A 55 -5.895 -2.793 3.398 1.00 2.38 H new ATOM 0 HB3 ASP A 55 -5.245 -1.468 4.342 1.00 2.38 H new ATOM 568 N ASP A 56 -8.786 -2.991 4.676 1.00 1.62 N ATOM 569 CA ASP A 56 -10.029 -2.497 4.076 1.00 1.72 C ATOM 570 C ASP A 56 -10.757 -1.485 4.961 1.00 1.47 C ATOM 571 O ASP A 56 -11.229 -0.459 4.468 1.00 1.48 O ATOM 572 CB ASP A 56 -10.962 -3.657 3.715 1.00 2.15 C ATOM 573 CG ASP A 56 -11.336 -4.524 4.897 1.00 2.43 C ATOM 574 OD1 ASP A 56 -10.453 -5.238 5.418 1.00 2.98 O ATOM 575 OD2 ASP A 56 -12.521 -4.530 5.289 1.00 2.88 O ATOM 0 H ASP A 56 -8.736 -4.006 4.759 1.00 1.62 H new ATOM 0 HA ASP A 56 -9.741 -1.973 3.164 1.00 1.72 H new ATOM 0 HB2 ASP A 56 -11.871 -3.255 3.268 1.00 2.15 H new ATOM 0 HB3 ASP A 56 -10.481 -4.277 2.958 1.00 2.15 H new ATOM 580 N LYS A 57 -10.847 -1.757 6.255 1.00 1.39 N ATOM 581 CA LYS A 57 -11.532 -0.845 7.165 1.00 1.42 C ATOM 582 C LYS A 57 -10.671 0.395 7.420 1.00 1.20 C ATOM 583 O LYS A 57 -11.174 1.519 7.431 1.00 1.27 O ATOM 584 CB LYS A 57 -11.868 -1.563 8.480 1.00 1.57 C ATOM 585 CG LYS A 57 -12.943 -0.879 9.320 1.00 1.98 C ATOM 586 CD LYS A 57 -12.409 0.326 10.075 1.00 2.71 C ATOM 587 CE LYS A 57 -13.508 1.017 10.862 1.00 3.40 C ATOM 588 NZ LYS A 57 -12.994 2.191 11.614 1.00 4.03 N ATOM 0 H LYS A 57 -10.460 -2.591 6.696 1.00 1.39 H new ATOM 0 HA LYS A 57 -12.466 -0.520 6.706 1.00 1.42 H new ATOM 0 HB2 LYS A 57 -12.195 -2.578 8.252 1.00 1.57 H new ATOM 0 HB3 LYS A 57 -10.959 -1.647 9.075 1.00 1.57 H new ATOM 0 HG2 LYS A 57 -13.761 -0.565 8.672 1.00 1.98 H new ATOM 0 HG3 LYS A 57 -13.356 -1.595 10.030 1.00 1.98 H new ATOM 0 HD2 LYS A 57 -11.617 0.010 10.754 1.00 2.71 H new ATOM 0 HD3 LYS A 57 -11.965 1.030 9.372 1.00 2.71 H new ATOM 0 HE2 LYS A 57 -14.296 1.338 10.181 1.00 3.40 H new ATOM 0 HE3 LYS A 57 -13.958 0.308 11.558 1.00 3.40 H new ATOM 0 HZ1 LYS A 57 -13.671 2.449 12.360 1.00 4.03 H new ATOM 0 HZ2 LYS A 57 -12.078 1.953 12.046 1.00 4.03 H new ATOM 0 HZ3 LYS A 57 -12.872 2.993 10.964 1.00 4.03 H new ATOM 602 N LYS A 58 -9.369 0.185 7.589 1.00 1.07 N ATOM 603 CA LYS A 58 -8.443 1.275 7.884 1.00 1.04 C ATOM 604 C LYS A 58 -8.360 2.251 6.713 1.00 0.88 C ATOM 605 O LYS A 58 -8.224 3.460 6.909 1.00 0.87 O ATOM 606 CB LYS A 58 -7.044 0.735 8.210 1.00 1.18 C ATOM 607 CG LYS A 58 -6.931 0.025 9.557 1.00 1.64 C ATOM 608 CD LYS A 58 -7.666 -1.308 9.574 1.00 2.25 C ATOM 609 CE LYS A 58 -7.428 -2.064 10.873 1.00 2.61 C ATOM 610 NZ LYS A 58 -7.936 -1.324 12.061 1.00 2.99 N ATOM 0 H LYS A 58 -8.929 -0.733 7.527 1.00 1.07 H new ATOM 0 HA LYS A 58 -8.826 1.804 8.757 1.00 1.04 H new ATOM 0 HB2 LYS A 58 -6.745 0.042 7.423 1.00 1.18 H new ATOM 0 HB3 LYS A 58 -6.336 1.564 8.191 1.00 1.18 H new ATOM 0 HG2 LYS A 58 -5.879 -0.140 9.790 1.00 1.64 H new ATOM 0 HG3 LYS A 58 -7.334 0.669 10.339 1.00 1.64 H new ATOM 0 HD2 LYS A 58 -8.734 -1.136 9.443 1.00 2.25 H new ATOM 0 HD3 LYS A 58 -7.335 -1.917 8.732 1.00 2.25 H new ATOM 0 HE2 LYS A 58 -7.916 -3.037 10.819 1.00 2.61 H new ATOM 0 HE3 LYS A 58 -6.360 -2.249 10.992 1.00 2.61 H new ATOM 0 HZ1 LYS A 58 -7.859 -1.927 12.905 1.00 2.99 H new ATOM 0 HZ2 LYS A 58 -7.372 -0.461 12.200 1.00 2.99 H new ATOM 0 HZ3 LYS A 58 -8.932 -1.066 11.909 1.00 2.99 H new ATOM 624 N ILE A 59 -8.443 1.714 5.499 1.00 0.83 N ATOM 625 CA ILE A 59 -8.437 2.529 4.291 1.00 0.80 C ATOM 626 C ILE A 59 -9.562 3.555 4.323 1.00 0.74 C ATOM 627 O ILE A 59 -9.340 4.728 4.035 1.00 0.78 O ATOM 628 CB ILE A 59 -8.568 1.660 3.016 1.00 0.90 C ATOM 629 CG1 ILE A 59 -7.275 0.879 2.763 1.00 1.12 C ATOM 630 CG2 ILE A 59 -8.924 2.512 1.802 1.00 0.96 C ATOM 631 CD1 ILE A 59 -7.378 -0.099 1.613 1.00 1.33 C ATOM 0 H ILE A 59 -8.516 0.711 5.327 1.00 0.83 H new ATOM 0 HA ILE A 59 -7.478 3.047 4.260 1.00 0.80 H new ATOM 0 HB ILE A 59 -9.379 0.949 3.177 1.00 0.90 H new ATOM 0 HG12 ILE A 59 -6.468 1.583 2.560 1.00 1.12 H new ATOM 0 HG13 ILE A 59 -7.004 0.336 3.669 1.00 1.12 H new ATOM 0 HG21 ILE A 59 -9.009 1.874 0.922 1.00 0.96 H new ATOM 0 HG22 ILE A 59 -9.874 3.017 1.978 1.00 0.96 H new ATOM 0 HG23 ILE A 59 -8.144 3.255 1.637 1.00 0.96 H new ATOM 0 HD11 ILE A 59 -6.427 -0.617 1.490 1.00 1.33 H new ATOM 0 HD12 ILE A 59 -8.163 -0.826 1.823 1.00 1.33 H new ATOM 0 HD13 ILE A 59 -7.618 0.441 0.697 1.00 1.33 H new ATOM 643 N GLU A 60 -10.758 3.113 4.695 1.00 0.77 N ATOM 644 CA GLU A 60 -11.918 3.994 4.731 1.00 0.87 C ATOM 645 C GLU A 60 -11.676 5.182 5.654 1.00 0.85 C ATOM 646 O GLU A 60 -11.904 6.331 5.268 1.00 0.94 O ATOM 647 CB GLU A 60 -13.164 3.232 5.182 1.00 1.04 C ATOM 648 CG GLU A 60 -14.369 4.135 5.382 1.00 1.32 C ATOM 649 CD GLU A 60 -15.613 3.380 5.777 1.00 1.47 C ATOM 650 OE1 GLU A 60 -16.560 3.337 4.964 1.00 1.96 O ATOM 651 OE2 GLU A 60 -15.654 2.834 6.898 1.00 2.01 O ATOM 0 H GLU A 60 -10.949 2.151 4.975 1.00 0.77 H new ATOM 0 HA GLU A 60 -12.079 4.367 3.720 1.00 0.87 H new ATOM 0 HB2 GLU A 60 -13.406 2.470 4.441 1.00 1.04 H new ATOM 0 HB3 GLU A 60 -12.948 2.711 6.115 1.00 1.04 H new ATOM 0 HG2 GLU A 60 -14.139 4.873 6.151 1.00 1.32 H new ATOM 0 HG3 GLU A 60 -14.561 4.684 4.460 1.00 1.32 H new ATOM 658 N ASP A 61 -11.201 4.896 6.862 1.00 0.82 N ATOM 659 CA ASP A 61 -10.928 5.931 7.856 1.00 0.88 C ATOM 660 C ASP A 61 -10.015 7.010 7.295 1.00 0.79 C ATOM 661 O ASP A 61 -10.297 8.200 7.418 1.00 0.83 O ATOM 662 CB ASP A 61 -10.294 5.324 9.109 1.00 0.99 C ATOM 663 CG ASP A 61 -11.319 4.761 10.069 1.00 1.55 C ATOM 664 OD1 ASP A 61 -11.955 3.739 9.743 1.00 2.27 O ATOM 665 OD2 ASP A 61 -11.485 5.334 11.167 1.00 2.05 O ATOM 0 H ASP A 61 -10.995 3.949 7.179 1.00 0.82 H new ATOM 0 HA ASP A 61 -11.882 6.387 8.121 1.00 0.88 H new ATOM 0 HB2 ASP A 61 -9.605 4.533 8.815 1.00 0.99 H new ATOM 0 HB3 ASP A 61 -9.705 6.087 9.619 1.00 0.99 H new ATOM 670 N ILE A 62 -8.932 6.591 6.662 1.00 0.72 N ATOM 671 CA ILE A 62 -7.966 7.526 6.107 1.00 0.69 C ATOM 672 C ILE A 62 -8.510 8.195 4.845 1.00 0.68 C ATOM 673 O ILE A 62 -8.436 9.412 4.694 1.00 0.73 O ATOM 674 CB ILE A 62 -6.629 6.823 5.788 1.00 0.73 C ATOM 675 CG1 ILE A 62 -6.053 6.195 7.061 1.00 0.81 C ATOM 676 CG2 ILE A 62 -5.635 7.805 5.180 1.00 0.77 C ATOM 677 CD1 ILE A 62 -4.750 5.459 6.844 1.00 0.93 C ATOM 0 H ILE A 62 -8.699 5.608 6.519 1.00 0.72 H new ATOM 0 HA ILE A 62 -7.787 8.292 6.862 1.00 0.69 H new ATOM 0 HB ILE A 62 -6.814 6.035 5.058 1.00 0.73 H new ATOM 0 HG12 ILE A 62 -5.898 6.978 7.803 1.00 0.81 H new ATOM 0 HG13 ILE A 62 -6.785 5.503 7.477 1.00 0.81 H new ATOM 0 HG21 ILE A 62 -4.700 7.289 4.963 1.00 0.77 H new ATOM 0 HG22 ILE A 62 -6.046 8.214 4.257 1.00 0.77 H new ATOM 0 HG23 ILE A 62 -5.447 8.615 5.884 1.00 0.77 H new ATOM 0 HD11 ILE A 62 -4.405 5.042 7.790 1.00 0.93 H new ATOM 0 HD12 ILE A 62 -4.903 4.653 6.127 1.00 0.93 H new ATOM 0 HD13 ILE A 62 -4.001 6.151 6.458 1.00 0.93 H new ATOM 689 N LEU A 63 -9.093 7.394 3.966 1.00 0.68 N ATOM 690 CA LEU A 63 -9.575 7.884 2.672 1.00 0.76 C ATOM 691 C LEU A 63 -10.673 8.936 2.844 1.00 0.84 C ATOM 692 O LEU A 63 -10.682 9.954 2.147 1.00 0.94 O ATOM 693 CB LEU A 63 -10.082 6.721 1.796 1.00 0.85 C ATOM 694 CG LEU A 63 -10.956 7.133 0.610 1.00 1.23 C ATOM 695 CD1 LEU A 63 -10.115 7.773 -0.483 1.00 1.57 C ATOM 696 CD2 LEU A 63 -11.732 5.941 0.063 1.00 1.89 C ATOM 0 H LEU A 63 -9.247 6.398 4.121 1.00 0.68 H new ATOM 0 HA LEU A 63 -8.731 8.356 2.169 1.00 0.76 H new ATOM 0 HB2 LEU A 63 -9.221 6.169 1.418 1.00 0.85 H new ATOM 0 HB3 LEU A 63 -10.650 6.035 2.424 1.00 0.85 H new ATOM 0 HG LEU A 63 -11.676 7.871 0.964 1.00 1.23 H new ATOM 0 HD11 LEU A 63 -10.757 8.058 -1.316 1.00 1.57 H new ATOM 0 HD12 LEU A 63 -9.618 8.659 -0.088 1.00 1.57 H new ATOM 0 HD13 LEU A 63 -9.366 7.061 -0.829 1.00 1.57 H new ATOM 0 HD21 LEU A 63 -12.345 6.262 -0.779 1.00 1.89 H new ATOM 0 HD22 LEU A 63 -11.033 5.173 -0.268 1.00 1.89 H new ATOM 0 HD23 LEU A 63 -12.374 5.535 0.845 1.00 1.89 H new ATOM 708 N LYS A 64 -11.587 8.706 3.778 1.00 0.89 N ATOM 709 CA LYS A 64 -12.669 9.652 4.019 1.00 1.05 C ATOM 710 C LYS A 64 -12.166 10.894 4.741 1.00 1.03 C ATOM 711 O LYS A 64 -12.790 11.954 4.684 1.00 1.13 O ATOM 712 CB LYS A 64 -13.800 9.001 4.813 1.00 1.22 C ATOM 713 CG LYS A 64 -14.609 8.001 4.005 1.00 1.64 C ATOM 714 CD LYS A 64 -15.804 7.485 4.790 1.00 2.17 C ATOM 715 CE LYS A 64 -16.698 6.611 3.928 1.00 2.87 C ATOM 716 NZ LYS A 64 -17.883 6.117 4.675 1.00 3.41 N ATOM 0 H LYS A 64 -11.602 7.880 4.376 1.00 0.89 H new ATOM 0 HA LYS A 64 -13.059 9.956 3.048 1.00 1.05 H new ATOM 0 HB2 LYS A 64 -13.379 8.497 5.683 1.00 1.22 H new ATOM 0 HB3 LYS A 64 -14.466 9.779 5.186 1.00 1.22 H new ATOM 0 HG2 LYS A 64 -14.953 8.470 3.083 1.00 1.64 H new ATOM 0 HG3 LYS A 64 -13.972 7.164 3.718 1.00 1.64 H new ATOM 0 HD2 LYS A 64 -15.456 6.915 5.651 1.00 2.17 H new ATOM 0 HD3 LYS A 64 -16.379 8.327 5.176 1.00 2.17 H new ATOM 0 HE2 LYS A 64 -17.029 7.178 3.058 1.00 2.87 H new ATOM 0 HE3 LYS A 64 -16.125 5.762 3.556 1.00 2.87 H new ATOM 0 HZ1 LYS A 64 -18.731 6.209 4.080 1.00 3.41 H new ATOM 0 HZ2 LYS A 64 -17.743 5.118 4.926 1.00 3.41 H new ATOM 0 HZ3 LYS A 64 -18.006 6.678 5.542 1.00 3.41 H new ATOM 730 N SER A 65 -11.033 10.767 5.412 1.00 0.97 N ATOM 731 CA SER A 65 -10.434 11.896 6.106 1.00 1.06 C ATOM 732 C SER A 65 -9.596 12.739 5.148 1.00 1.03 C ATOM 733 O SER A 65 -9.407 13.937 5.366 1.00 1.13 O ATOM 734 CB SER A 65 -9.586 11.404 7.277 1.00 1.18 C ATOM 735 OG SER A 65 -10.379 10.681 8.207 1.00 1.65 O ATOM 0 H SER A 65 -10.510 9.895 5.491 1.00 0.97 H new ATOM 0 HA SER A 65 -11.233 12.526 6.496 1.00 1.06 H new ATOM 0 HB2 SER A 65 -8.782 10.768 6.907 1.00 1.18 H new ATOM 0 HB3 SER A 65 -9.118 12.253 7.775 1.00 1.18 H new ATOM 0 HG SER A 65 -10.694 9.851 7.792 1.00 1.65 H new ATOM 741 N LEU A 66 -9.089 12.114 4.090 1.00 0.97 N ATOM 742 CA LEU A 66 -8.348 12.843 3.065 1.00 1.05 C ATOM 743 C LEU A 66 -9.296 13.610 2.144 1.00 1.20 C ATOM 744 O LEU A 66 -9.028 14.759 1.799 1.00 1.55 O ATOM 745 CB LEU A 66 -7.462 11.894 2.246 1.00 1.00 C ATOM 746 CG LEU A 66 -6.032 11.686 2.787 1.00 1.09 C ATOM 747 CD1 LEU A 66 -6.046 11.382 4.277 1.00 1.72 C ATOM 748 CD2 LEU A 66 -5.316 10.563 2.038 1.00 1.38 C ATOM 0 H LEU A 66 -9.176 11.112 3.920 1.00 0.97 H new ATOM 0 HA LEU A 66 -7.705 13.562 3.572 1.00 1.05 H new ATOM 0 HB2 LEU A 66 -7.955 10.923 2.189 1.00 1.00 H new ATOM 0 HB3 LEU A 66 -7.394 12.277 1.228 1.00 1.00 H new ATOM 0 HG LEU A 66 -5.488 12.617 2.625 1.00 1.09 H new ATOM 0 HD11 LEU A 66 -5.024 11.240 4.629 1.00 1.72 H new ATOM 0 HD12 LEU A 66 -6.503 12.213 4.814 1.00 1.72 H new ATOM 0 HD13 LEU A 66 -6.621 10.474 4.458 1.00 1.72 H new ATOM 0 HD21 LEU A 66 -4.311 10.440 2.441 1.00 1.38 H new ATOM 0 HD22 LEU A 66 -5.872 9.633 2.159 1.00 1.38 H new ATOM 0 HD23 LEU A 66 -5.254 10.814 0.979 1.00 1.38 H new ATOM 760 N GLY A 67 -10.406 12.981 1.762 1.00 1.07 N ATOM 761 CA GLY A 67 -11.426 13.677 0.993 1.00 1.26 C ATOM 762 C GLY A 67 -11.513 13.211 -0.452 1.00 1.22 C ATOM 763 O GLY A 67 -12.251 12.268 -0.752 1.00 1.28 O ATOM 0 H GLY A 67 -10.617 12.005 1.970 1.00 1.07 H new ATOM 0 HA2 GLY A 67 -12.394 13.533 1.473 1.00 1.26 H new ATOM 0 HA3 GLY A 67 -11.218 14.747 1.011 1.00 1.26 H new ATOM 767 N PRO A 68 -10.787 13.875 -1.372 1.00 1.24 N ATOM 768 CA PRO A 68 -10.783 13.541 -2.810 1.00 1.29 C ATOM 769 C PRO A 68 -10.466 12.068 -3.085 1.00 1.15 C ATOM 770 O PRO A 68 -9.971 11.358 -2.208 1.00 0.99 O ATOM 771 CB PRO A 68 -9.666 14.426 -3.368 1.00 1.41 C ATOM 772 CG PRO A 68 -9.588 15.577 -2.436 1.00 1.56 C ATOM 773 CD PRO A 68 -9.914 15.027 -1.079 1.00 1.35 C ATOM 0 HA PRO A 68 -11.762 13.706 -3.260 1.00 1.29 H new ATOM 0 HB2 PRO A 68 -8.719 13.887 -3.410 1.00 1.41 H new ATOM 0 HB3 PRO A 68 -9.892 14.754 -4.383 1.00 1.41 H new ATOM 0 HG2 PRO A 68 -8.594 16.023 -2.448 1.00 1.56 H new ATOM 0 HG3 PRO A 68 -10.292 16.359 -2.720 1.00 1.56 H new ATOM 0 HD2 PRO A 68 -9.015 14.723 -0.543 1.00 1.35 H new ATOM 0 HD3 PRO A 68 -10.420 15.766 -0.458 1.00 1.35 H new ATOM 781 N PRO A 69 -10.762 11.589 -4.310 1.00 1.30 N ATOM 782 CA PRO A 69 -10.463 10.213 -4.716 1.00 1.26 C ATOM 783 C PRO A 69 -8.966 9.933 -4.681 1.00 1.05 C ATOM 784 O PRO A 69 -8.225 10.281 -5.607 1.00 1.17 O ATOM 785 CB PRO A 69 -10.996 10.123 -6.152 1.00 1.53 C ATOM 786 CG PRO A 69 -11.099 11.535 -6.615 1.00 1.89 C ATOM 787 CD PRO A 69 -11.415 12.345 -5.391 1.00 1.58 C ATOM 0 HA PRO A 69 -10.916 9.481 -4.048 1.00 1.26 H new ATOM 0 HB2 PRO A 69 -10.323 9.548 -6.787 1.00 1.53 H new ATOM 0 HB3 PRO A 69 -11.966 9.626 -6.183 1.00 1.53 H new ATOM 0 HG2 PRO A 69 -10.166 11.865 -7.073 1.00 1.89 H new ATOM 0 HG3 PRO A 69 -11.880 11.644 -7.368 1.00 1.89 H new ATOM 0 HD2 PRO A 69 -11.023 13.359 -5.467 1.00 1.58 H new ATOM 0 HD3 PRO A 69 -12.490 12.430 -5.231 1.00 1.58 H new ATOM 795 N VAL A 70 -8.534 9.304 -3.607 1.00 0.85 N ATOM 796 CA VAL A 70 -7.129 9.056 -3.370 1.00 0.67 C ATOM 797 C VAL A 70 -6.637 7.853 -4.167 1.00 0.60 C ATOM 798 O VAL A 70 -7.337 6.847 -4.295 1.00 0.66 O ATOM 799 CB VAL A 70 -6.871 8.854 -1.860 1.00 0.62 C ATOM 800 CG1 VAL A 70 -5.462 8.366 -1.588 1.00 0.99 C ATOM 801 CG2 VAL A 70 -7.130 10.154 -1.116 1.00 1.08 C ATOM 0 H VAL A 70 -9.149 8.951 -2.874 1.00 0.85 H new ATOM 0 HA VAL A 70 -6.568 9.927 -3.708 1.00 0.67 H new ATOM 0 HB VAL A 70 -7.557 8.085 -1.503 1.00 0.62 H new ATOM 0 HG11 VAL A 70 -5.322 8.237 -0.515 1.00 0.99 H new ATOM 0 HG12 VAL A 70 -5.304 7.412 -2.092 1.00 0.99 H new ATOM 0 HG13 VAL A 70 -4.745 9.097 -1.962 1.00 0.99 H new ATOM 0 HG21 VAL A 70 -6.947 10.007 -0.052 1.00 1.08 H new ATOM 0 HG22 VAL A 70 -6.464 10.929 -1.495 1.00 1.08 H new ATOM 0 HG23 VAL A 70 -8.165 10.460 -1.267 1.00 1.08 H new ATOM 811 N LYS A 71 -5.433 7.983 -4.706 1.00 0.55 N ATOM 812 CA LYS A 71 -4.811 6.928 -5.486 1.00 0.54 C ATOM 813 C LYS A 71 -4.254 5.868 -4.553 1.00 0.43 C ATOM 814 O LYS A 71 -3.360 6.143 -3.755 1.00 0.41 O ATOM 815 CB LYS A 71 -3.683 7.504 -6.348 1.00 0.65 C ATOM 816 CG LYS A 71 -4.149 8.533 -7.368 1.00 1.27 C ATOM 817 CD LYS A 71 -4.884 7.884 -8.531 1.00 1.74 C ATOM 818 CE LYS A 71 -3.945 7.060 -9.403 1.00 2.14 C ATOM 819 NZ LYS A 71 -2.890 7.900 -10.032 1.00 2.53 N ATOM 0 H LYS A 71 -4.862 8.823 -4.614 1.00 0.55 H new ATOM 0 HA LYS A 71 -5.559 6.480 -6.139 1.00 0.54 H new ATOM 0 HB2 LYS A 71 -2.940 7.964 -5.696 1.00 0.65 H new ATOM 0 HB3 LYS A 71 -3.186 6.687 -6.872 1.00 0.65 H new ATOM 0 HG2 LYS A 71 -4.804 9.256 -6.882 1.00 1.27 H new ATOM 0 HG3 LYS A 71 -3.289 9.086 -7.745 1.00 1.27 H new ATOM 0 HD2 LYS A 71 -5.679 7.245 -8.147 1.00 1.74 H new ATOM 0 HD3 LYS A 71 -5.360 8.655 -9.137 1.00 1.74 H new ATOM 0 HE2 LYS A 71 -3.477 6.283 -8.799 1.00 2.14 H new ATOM 0 HE3 LYS A 71 -4.520 6.557 -10.181 1.00 2.14 H new ATOM 0 HZ1 LYS A 71 -2.448 7.375 -10.813 1.00 2.53 H new ATOM 0 HZ2 LYS A 71 -3.316 8.774 -10.400 1.00 2.53 H new ATOM 0 HZ3 LYS A 71 -2.168 8.139 -9.323 1.00 2.53 H new ATOM 833 N ILE A 72 -4.794 4.668 -4.635 1.00 0.45 N ATOM 834 CA ILE A 72 -4.362 3.594 -3.762 1.00 0.43 C ATOM 835 C ILE A 72 -3.309 2.730 -4.447 1.00 0.41 C ATOM 836 O ILE A 72 -3.572 2.092 -5.473 1.00 0.50 O ATOM 837 CB ILE A 72 -5.546 2.717 -3.308 1.00 0.54 C ATOM 838 CG1 ILE A 72 -6.625 3.590 -2.655 1.00 0.68 C ATOM 839 CG2 ILE A 72 -5.065 1.647 -2.334 1.00 0.58 C ATOM 840 CD1 ILE A 72 -7.857 2.822 -2.229 1.00 1.00 C ATOM 0 H ILE A 72 -5.529 4.413 -5.294 1.00 0.45 H new ATOM 0 HA ILE A 72 -3.923 4.055 -2.877 1.00 0.43 H new ATOM 0 HB ILE A 72 -5.976 2.223 -4.179 1.00 0.54 H new ATOM 0 HG12 ILE A 72 -6.199 4.087 -1.784 1.00 0.68 H new ATOM 0 HG13 ILE A 72 -6.920 4.372 -3.355 1.00 0.68 H new ATOM 0 HG21 ILE A 72 -5.910 1.034 -2.020 1.00 0.58 H new ATOM 0 HG22 ILE A 72 -4.322 1.017 -2.823 1.00 0.58 H new ATOM 0 HG23 ILE A 72 -4.619 2.124 -1.461 1.00 0.58 H new ATOM 0 HD11 ILE A 72 -8.574 3.507 -1.776 1.00 1.00 H new ATOM 0 HD12 ILE A 72 -8.309 2.347 -3.100 1.00 1.00 H new ATOM 0 HD13 ILE A 72 -7.577 2.058 -1.504 1.00 1.00 H new ATOM 852 N LEU A 73 -2.116 2.733 -3.878 1.00 0.37 N ATOM 853 CA LEU A 73 -1.007 1.941 -4.381 1.00 0.37 C ATOM 854 C LEU A 73 -0.732 0.795 -3.425 1.00 0.37 C ATOM 855 O LEU A 73 -0.661 1.001 -2.217 1.00 0.46 O ATOM 856 CB LEU A 73 0.240 2.817 -4.522 1.00 0.43 C ATOM 857 CG LEU A 73 1.534 2.071 -4.872 1.00 0.57 C ATOM 858 CD1 LEU A 73 1.579 1.724 -6.352 1.00 1.06 C ATOM 859 CD2 LEU A 73 2.758 2.885 -4.470 1.00 1.22 C ATOM 0 H LEU A 73 -1.889 3.286 -3.052 1.00 0.37 H new ATOM 0 HA LEU A 73 -1.265 1.539 -5.361 1.00 0.37 H new ATOM 0 HB2 LEU A 73 0.052 3.565 -5.293 1.00 0.43 H new ATOM 0 HB3 LEU A 73 0.393 3.355 -3.586 1.00 0.43 H new ATOM 0 HG LEU A 73 1.547 1.139 -4.306 1.00 0.57 H new ATOM 0 HD11 LEU A 73 2.506 1.196 -6.574 1.00 1.06 H new ATOM 0 HD12 LEU A 73 0.730 1.088 -6.603 1.00 1.06 H new ATOM 0 HD13 LEU A 73 1.533 2.639 -6.942 1.00 1.06 H new ATOM 0 HD21 LEU A 73 3.662 2.334 -4.729 1.00 1.22 H new ATOM 0 HD22 LEU A 73 2.750 3.839 -4.998 1.00 1.22 H new ATOM 0 HD23 LEU A 73 2.738 3.065 -3.395 1.00 1.22 H new ATOM 871 N VAL A 74 -0.594 -0.411 -3.952 1.00 0.40 N ATOM 872 CA VAL A 74 -0.359 -1.570 -3.110 1.00 0.40 C ATOM 873 C VAL A 74 0.939 -2.274 -3.487 1.00 0.39 C ATOM 874 O VAL A 74 1.095 -2.775 -4.604 1.00 0.47 O ATOM 875 CB VAL A 74 -1.527 -2.575 -3.187 1.00 0.48 C ATOM 876 CG1 VAL A 74 -1.348 -3.708 -2.184 1.00 1.30 C ATOM 877 CG2 VAL A 74 -2.858 -1.871 -2.978 1.00 1.16 C ATOM 0 H VAL A 74 -0.640 -0.611 -4.951 1.00 0.40 H new ATOM 0 HA VAL A 74 -0.281 -1.203 -2.087 1.00 0.40 H new ATOM 0 HB VAL A 74 -1.526 -3.013 -4.185 1.00 0.48 H new ATOM 0 HG11 VAL A 74 -2.187 -4.399 -2.263 1.00 1.30 H new ATOM 0 HG12 VAL A 74 -0.420 -4.238 -2.396 1.00 1.30 H new ATOM 0 HG13 VAL A 74 -1.309 -3.298 -1.175 1.00 1.30 H new ATOM 0 HG21 VAL A 74 -3.668 -2.599 -3.036 1.00 1.16 H new ATOM 0 HG22 VAL A 74 -2.868 -1.395 -1.997 1.00 1.16 H new ATOM 0 HG23 VAL A 74 -2.994 -1.114 -3.750 1.00 1.16 H new ATOM 887 N LEU A 75 1.867 -2.296 -2.546 1.00 0.38 N ATOM 888 CA LEU A 75 3.121 -3.008 -2.709 1.00 0.38 C ATOM 889 C LEU A 75 3.056 -4.299 -1.907 1.00 0.35 C ATOM 890 O LEU A 75 2.944 -4.273 -0.681 1.00 0.43 O ATOM 891 CB LEU A 75 4.293 -2.147 -2.226 1.00 0.48 C ATOM 892 CG LEU A 75 4.386 -0.752 -2.852 1.00 0.80 C ATOM 893 CD1 LEU A 75 5.516 0.044 -2.218 1.00 1.67 C ATOM 894 CD2 LEU A 75 4.587 -0.846 -4.357 1.00 1.65 C ATOM 0 H LEU A 75 1.772 -1.821 -1.648 1.00 0.38 H new ATOM 0 HA LEU A 75 3.278 -3.233 -3.764 1.00 0.38 H new ATOM 0 HB2 LEU A 75 4.219 -2.037 -1.144 1.00 0.48 H new ATOM 0 HB3 LEU A 75 5.222 -2.680 -2.429 1.00 0.48 H new ATOM 0 HG LEU A 75 3.446 -0.234 -2.663 1.00 0.80 H new ATOM 0 HD11 LEU A 75 5.566 1.032 -2.676 1.00 1.67 H new ATOM 0 HD12 LEU A 75 5.332 0.148 -1.149 1.00 1.67 H new ATOM 0 HD13 LEU A 75 6.461 -0.477 -2.375 1.00 1.67 H new ATOM 0 HD21 LEU A 75 4.650 0.157 -4.779 1.00 1.65 H new ATOM 0 HD22 LEU A 75 5.509 -1.387 -4.568 1.00 1.65 H new ATOM 0 HD23 LEU A 75 3.746 -1.375 -4.804 1.00 1.65 H new ATOM 906 N LEU A 76 3.096 -5.424 -2.593 1.00 0.34 N ATOM 907 CA LEU A 76 2.936 -6.700 -1.925 1.00 0.42 C ATOM 908 C LEU A 76 4.128 -7.602 -2.203 1.00 0.41 C ATOM 909 O LEU A 76 4.561 -7.730 -3.349 1.00 0.48 O ATOM 910 CB LEU A 76 1.643 -7.372 -2.400 1.00 0.55 C ATOM 911 CG LEU A 76 1.022 -8.362 -1.416 1.00 1.09 C ATOM 912 CD1 LEU A 76 0.622 -7.646 -0.138 1.00 1.52 C ATOM 913 CD2 LEU A 76 -0.186 -9.046 -2.037 1.00 1.76 C ATOM 0 H LEU A 76 3.236 -5.481 -3.602 1.00 0.34 H new ATOM 0 HA LEU A 76 2.879 -6.530 -0.850 1.00 0.42 H new ATOM 0 HB2 LEU A 76 0.910 -6.596 -2.621 1.00 0.55 H new ATOM 0 HB3 LEU A 76 1.846 -7.894 -3.335 1.00 0.55 H new ATOM 0 HG LEU A 76 1.763 -9.124 -1.176 1.00 1.09 H new ATOM 0 HD11 LEU A 76 0.180 -8.361 0.557 1.00 1.52 H new ATOM 0 HD12 LEU A 76 1.504 -7.195 0.317 1.00 1.52 H new ATOM 0 HD13 LEU A 76 -0.105 -6.868 -0.369 1.00 1.52 H new ATOM 0 HD21 LEU A 76 -0.615 -9.747 -1.321 1.00 1.76 H new ATOM 0 HD22 LEU A 76 -0.932 -8.297 -2.302 1.00 1.76 H new ATOM 0 HD23 LEU A 76 0.122 -9.585 -2.933 1.00 1.76 H new ATOM 925 N GLU A 77 4.666 -8.215 -1.157 1.00 0.46 N ATOM 926 CA GLU A 77 5.752 -9.173 -1.325 1.00 0.49 C ATOM 927 C GLU A 77 5.171 -10.579 -1.404 1.00 0.49 C ATOM 928 O GLU A 77 4.224 -10.901 -0.680 1.00 0.59 O ATOM 929 CB GLU A 77 6.750 -9.075 -0.166 1.00 0.61 C ATOM 930 CG GLU A 77 7.877 -10.094 -0.237 1.00 0.63 C ATOM 931 CD GLU A 77 8.862 -9.967 0.908 1.00 1.04 C ATOM 932 OE1 GLU A 77 8.536 -10.414 2.029 1.00 1.71 O ATOM 933 OE2 GLU A 77 9.976 -9.444 0.689 1.00 1.74 O ATOM 0 H GLU A 77 4.372 -8.068 -0.191 1.00 0.46 H new ATOM 0 HA GLU A 77 6.287 -8.946 -2.247 1.00 0.49 H new ATOM 0 HB2 GLU A 77 7.179 -8.073 -0.152 1.00 0.61 H new ATOM 0 HB3 GLU A 77 6.214 -9.205 0.774 1.00 0.61 H new ATOM 0 HG2 GLU A 77 7.453 -11.098 -0.234 1.00 0.63 H new ATOM 0 HG3 GLU A 77 8.408 -9.975 -1.181 1.00 0.63 H new ATOM 940 N ASP A 78 5.728 -11.411 -2.281 1.00 0.54 N ATOM 941 CA ASP A 78 5.205 -12.758 -2.490 1.00 0.61 C ATOM 942 C ASP A 78 5.436 -13.633 -1.264 1.00 0.63 C ATOM 943 O ASP A 78 6.452 -14.317 -1.143 1.00 0.72 O ATOM 944 CB ASP A 78 5.842 -13.408 -3.723 1.00 0.77 C ATOM 945 CG ASP A 78 5.271 -14.784 -4.014 1.00 1.06 C ATOM 946 OD1 ASP A 78 4.121 -14.862 -4.500 1.00 1.59 O ATOM 947 OD2 ASP A 78 5.965 -15.792 -3.769 1.00 1.85 O ATOM 0 H ASP A 78 6.538 -11.177 -2.856 1.00 0.54 H new ATOM 0 HA ASP A 78 4.131 -12.670 -2.656 1.00 0.61 H new ATOM 0 HB2 ASP A 78 5.689 -12.764 -4.589 1.00 0.77 H new ATOM 0 HB3 ASP A 78 6.918 -13.489 -3.572 1.00 0.77 H new ATOM 952 N THR A 79 4.489 -13.577 -0.349 1.00 0.61 N ATOM 953 CA THR A 79 4.496 -14.420 0.829 1.00 0.72 C ATOM 954 C THR A 79 3.341 -15.416 0.727 1.00 0.78 C ATOM 955 O THR A 79 2.448 -15.226 -0.104 1.00 0.84 O ATOM 956 CB THR A 79 4.366 -13.560 2.107 1.00 0.77 C ATOM 957 OG1 THR A 79 5.214 -12.405 2.000 1.00 1.04 O ATOM 958 CG2 THR A 79 4.751 -14.344 3.354 1.00 1.20 C ATOM 0 H THR A 79 3.691 -12.944 -0.402 1.00 0.61 H new ATOM 0 HA THR A 79 5.439 -14.963 0.888 1.00 0.72 H new ATOM 0 HB THR A 79 3.322 -13.259 2.199 1.00 0.77 H new ATOM 0 HG1 THR A 79 5.129 -11.860 2.810 1.00 1.04 H new ATOM 0 HG21 THR A 79 4.647 -13.706 4.232 1.00 1.20 H new ATOM 0 HG22 THR A 79 4.097 -15.210 3.455 1.00 1.20 H new ATOM 0 HG23 THR A 79 5.785 -14.678 3.269 1.00 1.20 H new ATOM 966 N LYS A 80 3.348 -16.468 1.532 1.00 0.84 N ATOM 967 CA LYS A 80 2.262 -17.440 1.495 1.00 0.92 C ATOM 968 C LYS A 80 0.958 -16.781 1.933 1.00 0.88 C ATOM 969 O LYS A 80 -0.048 -16.832 1.224 1.00 0.90 O ATOM 970 CB LYS A 80 2.576 -18.639 2.391 1.00 1.09 C ATOM 971 CG LYS A 80 1.636 -19.813 2.186 1.00 1.65 C ATOM 972 CD LYS A 80 2.011 -20.984 3.077 1.00 2.05 C ATOM 973 CE LYS A 80 1.230 -22.235 2.712 1.00 3.00 C ATOM 974 NZ LYS A 80 1.527 -22.695 1.329 1.00 3.57 N ATOM 0 H LYS A 80 4.082 -16.670 2.211 1.00 0.84 H new ATOM 0 HA LYS A 80 2.153 -17.799 0.471 1.00 0.92 H new ATOM 0 HB2 LYS A 80 3.599 -18.966 2.202 1.00 1.09 H new ATOM 0 HB3 LYS A 80 2.530 -18.325 3.434 1.00 1.09 H new ATOM 0 HG2 LYS A 80 0.613 -19.504 2.400 1.00 1.65 H new ATOM 0 HG3 LYS A 80 1.663 -20.125 1.142 1.00 1.65 H new ATOM 0 HD2 LYS A 80 3.079 -21.182 2.989 1.00 2.05 H new ATOM 0 HD3 LYS A 80 1.820 -20.726 4.119 1.00 2.05 H new ATOM 0 HE2 LYS A 80 1.470 -23.030 3.418 1.00 3.00 H new ATOM 0 HE3 LYS A 80 0.162 -22.036 2.806 1.00 3.00 H new ATOM 0 HZ1 LYS A 80 1.261 -23.696 1.231 1.00 3.57 H new ATOM 0 HZ2 LYS A 80 0.984 -22.125 0.649 1.00 3.57 H new ATOM 0 HZ3 LYS A 80 2.544 -22.587 1.138 1.00 3.57 H new ATOM 988 N ASP A 81 0.994 -16.153 3.105 1.00 0.90 N ATOM 989 CA ASP A 81 -0.163 -15.420 3.635 1.00 0.93 C ATOM 990 C ASP A 81 -0.640 -14.365 2.634 1.00 0.83 C ATOM 991 O ASP A 81 -1.842 -14.212 2.406 1.00 0.82 O ATOM 992 CB ASP A 81 0.177 -14.757 4.979 1.00 1.08 C ATOM 993 CG ASP A 81 -1.045 -14.210 5.686 1.00 1.46 C ATOM 994 OD1 ASP A 81 -1.214 -12.977 5.721 1.00 2.24 O ATOM 995 OD2 ASP A 81 -1.840 -15.013 6.220 1.00 2.00 O ATOM 0 H ASP A 81 1.814 -16.134 3.712 1.00 0.90 H new ATOM 0 HA ASP A 81 -0.968 -16.137 3.797 1.00 0.93 H new ATOM 0 HB2 ASP A 81 0.670 -15.484 5.624 1.00 1.08 H new ATOM 0 HB3 ASP A 81 0.887 -13.947 4.811 1.00 1.08 H new ATOM 1000 N ALA A 82 0.319 -13.654 2.034 1.00 0.82 N ATOM 1001 CA ALA A 82 0.041 -12.653 1.001 1.00 0.82 C ATOM 1002 C ALA A 82 -0.886 -13.154 -0.109 1.00 0.82 C ATOM 1003 O ALA A 82 -1.575 -12.355 -0.738 1.00 0.84 O ATOM 1004 CB ALA A 82 1.346 -12.167 0.391 1.00 0.97 C ATOM 0 H ALA A 82 1.310 -13.757 2.251 1.00 0.82 H new ATOM 0 HA ALA A 82 -0.482 -11.836 1.499 1.00 0.82 H new ATOM 0 HB1 ALA A 82 1.134 -11.423 -0.377 1.00 0.97 H new ATOM 0 HB2 ALA A 82 1.967 -11.720 1.168 1.00 0.97 H new ATOM 0 HB3 ALA A 82 1.874 -13.009 -0.056 1.00 0.97 H new ATOM 1010 N ASP A 83 -0.927 -14.462 -0.333 1.00 0.91 N ATOM 1011 CA ASP A 83 -1.713 -15.020 -1.432 1.00 1.03 C ATOM 1012 C ASP A 83 -3.194 -14.867 -1.138 1.00 0.98 C ATOM 1013 O ASP A 83 -4.005 -14.602 -2.026 1.00 1.03 O ATOM 1014 CB ASP A 83 -1.367 -16.499 -1.645 1.00 1.27 C ATOM 1015 CG ASP A 83 -2.251 -17.173 -2.678 1.00 1.72 C ATOM 1016 OD1 ASP A 83 -1.965 -17.044 -3.887 1.00 2.22 O ATOM 1017 OD2 ASP A 83 -3.220 -17.862 -2.286 1.00 2.33 O ATOM 0 H ASP A 83 -0.429 -15.154 0.227 1.00 0.91 H new ATOM 0 HA ASP A 83 -1.472 -14.475 -2.345 1.00 1.03 H new ATOM 0 HB2 ASP A 83 -0.326 -16.581 -1.957 1.00 1.27 H new ATOM 0 HB3 ASP A 83 -1.458 -17.028 -0.696 1.00 1.27 H new ATOM 1022 N LYS A 84 -3.531 -14.992 0.130 1.00 0.96 N ATOM 1023 CA LYS A 84 -4.909 -14.931 0.558 1.00 1.04 C ATOM 1024 C LYS A 84 -5.338 -13.491 0.807 1.00 0.94 C ATOM 1025 O LYS A 84 -6.475 -13.118 0.522 1.00 1.04 O ATOM 1026 CB LYS A 84 -5.096 -15.789 1.806 1.00 1.17 C ATOM 1027 CG LYS A 84 -4.894 -17.276 1.548 1.00 1.67 C ATOM 1028 CD LYS A 84 -5.860 -17.797 0.491 1.00 2.01 C ATOM 1029 CE LYS A 84 -5.601 -19.257 0.153 1.00 2.47 C ATOM 1030 NZ LYS A 84 -4.238 -19.467 -0.403 1.00 3.21 N ATOM 0 H LYS A 84 -2.861 -15.138 0.885 1.00 0.96 H new ATOM 0 HA LYS A 84 -5.545 -15.325 -0.234 1.00 1.04 H new ATOM 0 HB2 LYS A 84 -4.394 -15.461 2.573 1.00 1.17 H new ATOM 0 HB3 LYS A 84 -6.099 -15.629 2.202 1.00 1.17 H new ATOM 0 HG2 LYS A 84 -3.869 -17.454 1.224 1.00 1.67 H new ATOM 0 HG3 LYS A 84 -5.036 -17.830 2.476 1.00 1.67 H new ATOM 0 HD2 LYS A 84 -6.884 -17.684 0.848 1.00 2.01 H new ATOM 0 HD3 LYS A 84 -5.769 -17.194 -0.412 1.00 2.01 H new ATOM 0 HE2 LYS A 84 -5.724 -19.864 1.050 1.00 2.47 H new ATOM 0 HE3 LYS A 84 -6.343 -19.599 -0.568 1.00 2.47 H new ATOM 0 HZ1 LYS A 84 -4.252 -20.273 -1.061 1.00 3.21 H new ATOM 0 HZ2 LYS A 84 -3.934 -18.611 -0.910 1.00 3.21 H new ATOM 0 HZ3 LYS A 84 -3.573 -19.664 0.372 1.00 3.21 H new ATOM 1044 N VAL A 85 -4.424 -12.673 1.318 1.00 0.80 N ATOM 1045 CA VAL A 85 -4.713 -11.257 1.530 1.00 0.77 C ATOM 1046 C VAL A 85 -4.875 -10.564 0.177 1.00 0.68 C ATOM 1047 O VAL A 85 -5.658 -9.626 0.038 1.00 0.75 O ATOM 1048 CB VAL A 85 -3.604 -10.545 2.348 1.00 0.75 C ATOM 1049 CG1 VAL A 85 -4.130 -9.259 2.964 1.00 1.35 C ATOM 1050 CG2 VAL A 85 -3.017 -11.456 3.426 1.00 1.16 C ATOM 0 H VAL A 85 -3.485 -12.961 1.591 1.00 0.80 H new ATOM 0 HA VAL A 85 -5.636 -11.192 2.105 1.00 0.77 H new ATOM 0 HB VAL A 85 -2.800 -10.297 1.655 1.00 0.75 H new ATOM 0 HG11 VAL A 85 -3.335 -8.777 3.533 1.00 1.35 H new ATOM 0 HG12 VAL A 85 -4.469 -8.589 2.174 1.00 1.35 H new ATOM 0 HG13 VAL A 85 -4.964 -9.488 3.628 1.00 1.35 H new ATOM 0 HG21 VAL A 85 -2.244 -10.918 3.975 1.00 1.16 H new ATOM 0 HG22 VAL A 85 -3.806 -11.761 4.114 1.00 1.16 H new ATOM 0 HG23 VAL A 85 -2.582 -12.339 2.959 1.00 1.16 H new ATOM 1060 N LYS A 86 -4.138 -11.056 -0.818 1.00 0.60 N ATOM 1061 CA LYS A 86 -4.288 -10.606 -2.199 1.00 0.59 C ATOM 1062 C LYS A 86 -5.741 -10.747 -2.642 1.00 0.69 C ATOM 1063 O LYS A 86 -6.312 -9.839 -3.240 1.00 0.78 O ATOM 1064 CB LYS A 86 -3.371 -11.440 -3.106 1.00 0.62 C ATOM 1065 CG LYS A 86 -3.686 -11.355 -4.594 1.00 0.79 C ATOM 1066 CD LYS A 86 -3.376 -9.987 -5.179 1.00 1.07 C ATOM 1067 CE LYS A 86 -3.631 -9.972 -6.679 1.00 1.57 C ATOM 1068 NZ LYS A 86 -3.280 -8.668 -7.299 1.00 2.30 N ATOM 0 H LYS A 86 -3.424 -11.774 -0.690 1.00 0.60 H new ATOM 0 HA LYS A 86 -4.007 -9.555 -2.271 1.00 0.59 H new ATOM 0 HB2 LYS A 86 -2.341 -11.119 -2.949 1.00 0.62 H new ATOM 0 HB3 LYS A 86 -3.431 -12.483 -2.796 1.00 0.62 H new ATOM 0 HG2 LYS A 86 -3.112 -12.113 -5.127 1.00 0.79 H new ATOM 0 HG3 LYS A 86 -4.740 -11.584 -4.752 1.00 0.79 H new ATOM 0 HD2 LYS A 86 -3.992 -9.230 -4.693 1.00 1.07 H new ATOM 0 HD3 LYS A 86 -2.336 -9.728 -4.979 1.00 1.07 H new ATOM 0 HE2 LYS A 86 -3.050 -10.764 -7.152 1.00 1.57 H new ATOM 0 HE3 LYS A 86 -4.682 -10.190 -6.869 1.00 1.57 H new ATOM 0 HZ1 LYS A 86 -3.471 -8.707 -8.321 1.00 2.30 H new ATOM 0 HZ2 LYS A 86 -3.852 -7.914 -6.868 1.00 2.30 H new ATOM 0 HZ3 LYS A 86 -2.271 -8.470 -7.143 1.00 2.30 H new ATOM 1082 N LYS A 87 -6.330 -11.888 -2.322 1.00 0.75 N ATOM 1083 CA LYS A 87 -7.705 -12.175 -2.699 1.00 0.89 C ATOM 1084 C LYS A 87 -8.686 -11.347 -1.874 1.00 0.88 C ATOM 1085 O LYS A 87 -9.621 -10.752 -2.414 1.00 0.93 O ATOM 1086 CB LYS A 87 -7.999 -13.664 -2.505 1.00 1.06 C ATOM 1087 CG LYS A 87 -7.066 -14.578 -3.277 1.00 1.85 C ATOM 1088 CD LYS A 87 -7.160 -14.334 -4.771 1.00 2.29 C ATOM 1089 CE LYS A 87 -6.190 -15.215 -5.535 1.00 3.21 C ATOM 1090 NZ LYS A 87 -6.288 -15.003 -7.000 1.00 3.93 N ATOM 0 H LYS A 87 -5.874 -12.635 -1.799 1.00 0.75 H new ATOM 0 HA LYS A 87 -7.830 -11.911 -3.749 1.00 0.89 H new ATOM 0 HB2 LYS A 87 -7.931 -13.903 -1.444 1.00 1.06 H new ATOM 0 HB3 LYS A 87 -9.025 -13.865 -2.812 1.00 1.06 H new ATOM 0 HG2 LYS A 87 -6.040 -14.417 -2.945 1.00 1.85 H new ATOM 0 HG3 LYS A 87 -7.312 -15.618 -3.061 1.00 1.85 H new ATOM 0 HD2 LYS A 87 -8.177 -14.530 -5.110 1.00 2.29 H new ATOM 0 HD3 LYS A 87 -6.949 -13.286 -4.985 1.00 2.29 H new ATOM 0 HE2 LYS A 87 -5.172 -15.006 -5.205 1.00 3.21 H new ATOM 0 HE3 LYS A 87 -6.391 -16.261 -5.305 1.00 3.21 H new ATOM 0 HZ1 LYS A 87 -5.610 -15.623 -7.487 1.00 3.93 H new ATOM 0 HZ2 LYS A 87 -7.252 -15.227 -7.319 1.00 3.93 H new ATOM 0 HZ3 LYS A 87 -6.071 -14.010 -7.222 1.00 3.93 H new ATOM 1104 N GLU A 88 -8.445 -11.293 -0.573 1.00 0.90 N ATOM 1105 CA GLU A 88 -9.378 -10.680 0.362 1.00 0.98 C ATOM 1106 C GLU A 88 -9.454 -9.172 0.179 1.00 0.96 C ATOM 1107 O GLU A 88 -10.544 -8.611 0.083 1.00 1.02 O ATOM 1108 CB GLU A 88 -8.981 -11.025 1.796 1.00 1.06 C ATOM 1109 CG GLU A 88 -9.235 -12.480 2.152 1.00 1.16 C ATOM 1110 CD GLU A 88 -10.712 -12.800 2.248 1.00 1.87 C ATOM 1111 OE1 GLU A 88 -11.219 -12.942 3.381 1.00 2.43 O ATOM 1112 OE2 GLU A 88 -11.383 -12.889 1.200 1.00 2.58 O ATOM 0 H GLU A 88 -7.603 -11.670 -0.137 1.00 0.90 H new ATOM 0 HA GLU A 88 -10.370 -11.082 0.156 1.00 0.98 H new ATOM 0 HB2 GLU A 88 -7.923 -10.802 1.937 1.00 1.06 H new ATOM 0 HB3 GLU A 88 -9.536 -10.387 2.484 1.00 1.06 H new ATOM 0 HG2 GLU A 88 -8.775 -13.121 1.400 1.00 1.16 H new ATOM 0 HG3 GLU A 88 -8.754 -12.708 3.103 1.00 1.16 H new ATOM 1119 N ILE A 89 -8.304 -8.519 0.113 1.00 0.91 N ATOM 1120 CA ILE A 89 -8.272 -7.070 -0.030 1.00 0.93 C ATOM 1121 C ILE A 89 -8.806 -6.654 -1.398 1.00 0.87 C ATOM 1122 O ILE A 89 -9.473 -5.626 -1.530 1.00 0.91 O ATOM 1123 CB ILE A 89 -6.851 -6.505 0.174 1.00 0.96 C ATOM 1124 CG1 ILE A 89 -6.314 -6.879 1.559 1.00 1.05 C ATOM 1125 CG2 ILE A 89 -6.856 -4.996 0.004 1.00 1.03 C ATOM 1126 CD1 ILE A 89 -7.121 -6.306 2.708 1.00 1.17 C ATOM 0 H ILE A 89 -7.387 -8.964 0.156 1.00 0.91 H new ATOM 0 HA ILE A 89 -8.913 -6.654 0.747 1.00 0.93 H new ATOM 0 HB ILE A 89 -6.196 -6.943 -0.579 1.00 0.96 H new ATOM 0 HG12 ILE A 89 -6.294 -7.965 1.649 1.00 1.05 H new ATOM 0 HG13 ILE A 89 -5.284 -6.533 1.644 1.00 1.05 H new ATOM 0 HG21 ILE A 89 -5.847 -4.610 0.151 1.00 1.03 H new ATOM 0 HG22 ILE A 89 -7.199 -4.744 -1.000 1.00 1.03 H new ATOM 0 HG23 ILE A 89 -7.526 -4.549 0.739 1.00 1.03 H new ATOM 0 HD11 ILE A 89 -6.677 -6.616 3.654 1.00 1.17 H new ATOM 0 HD12 ILE A 89 -7.120 -5.218 2.646 1.00 1.17 H new ATOM 0 HD13 ILE A 89 -8.146 -6.672 2.651 1.00 1.17 H new ATOM 1138 N GLU A 90 -8.539 -7.475 -2.408 1.00 0.81 N ATOM 1139 CA GLU A 90 -9.053 -7.219 -3.753 1.00 0.79 C ATOM 1140 C GLU A 90 -10.575 -7.322 -3.749 1.00 0.79 C ATOM 1141 O GLU A 90 -11.270 -6.524 -4.384 1.00 0.79 O ATOM 1142 CB GLU A 90 -8.452 -8.200 -4.773 1.00 0.83 C ATOM 1143 CG GLU A 90 -9.160 -8.202 -6.116 1.00 1.35 C ATOM 1144 CD GLU A 90 -8.578 -9.218 -7.073 1.00 1.53 C ATOM 1145 OE1 GLU A 90 -7.873 -8.814 -8.020 1.00 1.94 O ATOM 1146 OE2 GLU A 90 -8.823 -10.428 -6.881 1.00 2.08 O ATOM 0 H GLU A 90 -7.973 -8.319 -2.324 1.00 0.81 H new ATOM 0 HA GLU A 90 -8.761 -6.212 -4.049 1.00 0.79 H new ATOM 0 HB2 GLU A 90 -7.402 -7.951 -4.927 1.00 0.83 H new ATOM 0 HB3 GLU A 90 -8.482 -9.207 -4.356 1.00 0.83 H new ATOM 0 HG2 GLU A 90 -10.219 -8.414 -5.965 1.00 1.35 H new ATOM 0 HG3 GLU A 90 -9.094 -7.209 -6.560 1.00 1.35 H new ATOM 1153 N LYS A 91 -11.079 -8.305 -3.012 1.00 0.85 N ATOM 1154 CA LYS A 91 -12.513 -8.495 -2.840 1.00 0.93 C ATOM 1155 C LYS A 91 -13.121 -7.284 -2.138 1.00 0.96 C ATOM 1156 O LYS A 91 -14.153 -6.758 -2.560 1.00 0.97 O ATOM 1157 CB LYS A 91 -12.770 -9.759 -2.018 1.00 1.11 C ATOM 1158 CG LYS A 91 -14.241 -10.091 -1.826 1.00 1.66 C ATOM 1159 CD LYS A 91 -14.431 -11.159 -0.757 1.00 1.93 C ATOM 1160 CE LYS A 91 -13.716 -12.452 -1.112 1.00 2.60 C ATOM 1161 NZ LYS A 91 -13.747 -13.432 0.006 1.00 3.12 N ATOM 0 H LYS A 91 -10.507 -8.990 -2.519 1.00 0.85 H new ATOM 0 HA LYS A 91 -12.979 -8.604 -3.820 1.00 0.93 H new ATOM 0 HB2 LYS A 91 -12.280 -10.602 -2.506 1.00 1.11 H new ATOM 0 HB3 LYS A 91 -12.305 -9.643 -1.039 1.00 1.11 H new ATOM 0 HG2 LYS A 91 -14.786 -9.190 -1.544 1.00 1.66 H new ATOM 0 HG3 LYS A 91 -14.664 -10.437 -2.769 1.00 1.66 H new ATOM 0 HD2 LYS A 91 -14.057 -10.788 0.197 1.00 1.93 H new ATOM 0 HD3 LYS A 91 -15.495 -11.357 -0.627 1.00 1.93 H new ATOM 0 HE2 LYS A 91 -14.181 -12.893 -1.993 1.00 2.60 H new ATOM 0 HE3 LYS A 91 -12.681 -12.233 -1.374 1.00 2.60 H new ATOM 0 HZ1 LYS A 91 -13.566 -14.387 -0.364 1.00 3.12 H new ATOM 0 HZ2 LYS A 91 -13.015 -13.186 0.703 1.00 3.12 H new ATOM 0 HZ3 LYS A 91 -14.681 -13.409 0.462 1.00 3.12 H new ATOM 1175 N LYS A 92 -12.462 -6.844 -1.069 1.00 1.03 N ATOM 1176 CA LYS A 92 -12.911 -5.690 -0.299 1.00 1.17 C ATOM 1177 C LYS A 92 -12.969 -4.439 -1.162 1.00 1.08 C ATOM 1178 O LYS A 92 -13.983 -3.745 -1.187 1.00 1.15 O ATOM 1179 CB LYS A 92 -11.988 -5.439 0.894 1.00 1.37 C ATOM 1180 CG LYS A 92 -11.998 -6.548 1.931 1.00 1.59 C ATOM 1181 CD LYS A 92 -13.390 -6.779 2.490 1.00 1.81 C ATOM 1182 CE LYS A 92 -13.373 -7.800 3.612 1.00 2.18 C ATOM 1183 NZ LYS A 92 -12.760 -7.261 4.854 1.00 2.41 N ATOM 0 H LYS A 92 -11.608 -7.275 -0.715 1.00 1.03 H new ATOM 0 HA LYS A 92 -13.914 -5.914 0.063 1.00 1.17 H new ATOM 0 HB2 LYS A 92 -10.969 -5.306 0.530 1.00 1.37 H new ATOM 0 HB3 LYS A 92 -12.279 -4.505 1.374 1.00 1.37 H new ATOM 0 HG2 LYS A 92 -11.628 -7.470 1.482 1.00 1.59 H new ATOM 0 HG3 LYS A 92 -11.317 -6.293 2.743 1.00 1.59 H new ATOM 0 HD2 LYS A 92 -13.797 -5.837 2.859 1.00 1.81 H new ATOM 0 HD3 LYS A 92 -14.051 -7.122 1.694 1.00 1.81 H new ATOM 0 HE2 LYS A 92 -14.393 -8.122 3.823 1.00 2.18 H new ATOM 0 HE3 LYS A 92 -12.820 -8.682 3.289 1.00 2.18 H new ATOM 0 HZ1 LYS A 92 -13.062 -7.834 5.667 1.00 2.41 H new ATOM 0 HZ2 LYS A 92 -11.724 -7.294 4.772 1.00 2.41 H new ATOM 0 HZ3 LYS A 92 -13.065 -6.276 4.993 1.00 2.41 H new ATOM 1197 N ALA A 93 -11.877 -4.161 -1.870 1.00 0.98 N ATOM 1198 CA ALA A 93 -11.793 -2.980 -2.719 1.00 0.99 C ATOM 1199 C ALA A 93 -12.817 -3.044 -3.845 1.00 0.90 C ATOM 1200 O ALA A 93 -13.356 -2.021 -4.271 1.00 0.98 O ATOM 1201 CB ALA A 93 -10.388 -2.835 -3.284 1.00 1.01 C ATOM 0 H ALA A 93 -11.037 -4.740 -1.871 1.00 0.98 H new ATOM 0 HA ALA A 93 -12.017 -2.105 -2.109 1.00 0.99 H new ATOM 0 HB1 ALA A 93 -10.340 -1.949 -3.916 1.00 1.01 H new ATOM 0 HB2 ALA A 93 -9.675 -2.736 -2.465 1.00 1.01 H new ATOM 0 HB3 ALA A 93 -10.141 -3.717 -3.876 1.00 1.01 H new ATOM 1207 N ARG A 94 -13.084 -4.258 -4.313 1.00 0.82 N ATOM 1208 CA ARG A 94 -14.076 -4.488 -5.356 1.00 0.85 C ATOM 1209 C ARG A 94 -15.455 -4.047 -4.881 1.00 0.86 C ATOM 1210 O ARG A 94 -16.144 -3.287 -5.558 1.00 0.92 O ATOM 1211 CB ARG A 94 -14.108 -5.972 -5.732 1.00 0.93 C ATOM 1212 CG ARG A 94 -14.986 -6.292 -6.929 1.00 1.31 C ATOM 1213 CD ARG A 94 -15.048 -7.793 -7.174 1.00 1.63 C ATOM 1214 NE ARG A 94 -13.720 -8.365 -7.404 1.00 2.21 N ATOM 1215 CZ ARG A 94 -13.331 -9.562 -6.962 1.00 2.80 C ATOM 1216 NH1 ARG A 94 -14.165 -10.327 -6.265 1.00 2.96 N ATOM 1217 NH2 ARG A 94 -12.105 -9.993 -7.225 1.00 3.67 N ATOM 0 H ARG A 94 -12.622 -5.105 -3.983 1.00 0.82 H new ATOM 0 HA ARG A 94 -13.801 -3.902 -6.233 1.00 0.85 H new ATOM 0 HB2 ARG A 94 -13.091 -6.304 -5.942 1.00 0.93 H new ATOM 0 HB3 ARG A 94 -14.460 -6.545 -4.874 1.00 0.93 H new ATOM 0 HG2 ARG A 94 -15.991 -5.906 -6.761 1.00 1.31 H new ATOM 0 HG3 ARG A 94 -14.596 -5.791 -7.815 1.00 1.31 H new ATOM 0 HD2 ARG A 94 -15.510 -8.282 -6.316 1.00 1.63 H new ATOM 0 HD3 ARG A 94 -15.684 -7.994 -8.036 1.00 1.63 H new ATOM 0 HE ARG A 94 -13.049 -7.812 -7.937 1.00 2.21 H new ATOM 0 HH11 ARG A 94 -15.110 -10.000 -6.065 1.00 2.96 H new ATOM 0 HH12 ARG A 94 -13.860 -11.241 -5.931 1.00 2.96 H new ATOM 0 HH21 ARG A 94 -11.464 -9.410 -7.763 1.00 3.67 H new ATOM 0 HH22 ARG A 94 -11.803 -10.908 -6.889 1.00 3.67 H new ATOM 1231 N LYS A 95 -15.836 -4.511 -3.699 1.00 0.90 N ATOM 1232 CA LYS A 95 -17.151 -4.214 -3.142 1.00 1.02 C ATOM 1233 C LYS A 95 -17.193 -2.809 -2.548 1.00 1.02 C ATOM 1234 O LYS A 95 -18.259 -2.303 -2.199 1.00 1.15 O ATOM 1235 CB LYS A 95 -17.512 -5.240 -2.065 1.00 1.23 C ATOM 1236 CG LYS A 95 -17.541 -6.677 -2.565 1.00 1.55 C ATOM 1237 CD LYS A 95 -18.621 -6.887 -3.612 1.00 2.10 C ATOM 1238 CE LYS A 95 -18.653 -8.329 -4.091 1.00 2.52 C ATOM 1239 NZ LYS A 95 -19.703 -8.551 -5.119 1.00 3.34 N ATOM 0 H LYS A 95 -15.251 -5.097 -3.104 1.00 0.90 H new ATOM 0 HA LYS A 95 -17.878 -4.267 -3.952 1.00 1.02 H new ATOM 0 HB2 LYS A 95 -16.793 -5.164 -1.250 1.00 1.23 H new ATOM 0 HB3 LYS A 95 -18.489 -4.990 -1.652 1.00 1.23 H new ATOM 0 HG2 LYS A 95 -16.570 -6.935 -2.988 1.00 1.55 H new ATOM 0 HG3 LYS A 95 -17.712 -7.351 -1.726 1.00 1.55 H new ATOM 0 HD2 LYS A 95 -19.592 -6.618 -3.195 1.00 2.10 H new ATOM 0 HD3 LYS A 95 -18.443 -6.224 -4.459 1.00 2.10 H new ATOM 0 HE2 LYS A 95 -17.680 -8.596 -4.503 1.00 2.52 H new ATOM 0 HE3 LYS A 95 -18.831 -8.989 -3.242 1.00 2.52 H new ATOM 0 HZ1 LYS A 95 -19.691 -9.547 -5.418 1.00 3.34 H new ATOM 0 HZ2 LYS A 95 -20.635 -8.321 -4.719 1.00 3.34 H new ATOM 0 HZ3 LYS A 95 -19.519 -7.940 -5.940 1.00 3.34 H new ATOM 1253 N LYS A 96 -16.033 -2.180 -2.452 1.00 0.97 N ATOM 1254 CA LYS A 96 -15.938 -0.846 -1.854 1.00 1.03 C ATOM 1255 C LYS A 96 -15.819 0.203 -2.962 1.00 0.96 C ATOM 1256 O LYS A 96 -15.751 1.406 -2.704 1.00 1.07 O ATOM 1257 CB LYS A 96 -14.745 -0.758 -0.870 1.00 1.15 C ATOM 1258 CG LYS A 96 -14.665 0.544 -0.091 1.00 1.29 C ATOM 1259 CD LYS A 96 -15.818 0.669 0.887 1.00 1.68 C ATOM 1260 CE LYS A 96 -15.669 1.888 1.779 1.00 1.78 C ATOM 1261 NZ LYS A 96 -16.831 2.045 2.689 1.00 2.17 N ATOM 0 H LYS A 96 -15.145 -2.564 -2.777 1.00 0.97 H new ATOM 0 HA LYS A 96 -16.844 -0.651 -1.279 1.00 1.03 H new ATOM 0 HB2 LYS A 96 -14.811 -1.586 -0.164 1.00 1.15 H new ATOM 0 HB3 LYS A 96 -13.819 -0.889 -1.429 1.00 1.15 H new ATOM 0 HG2 LYS A 96 -13.720 0.590 0.449 1.00 1.29 H new ATOM 0 HG3 LYS A 96 -14.678 1.386 -0.783 1.00 1.29 H new ATOM 0 HD2 LYS A 96 -16.757 0.734 0.336 1.00 1.68 H new ATOM 0 HD3 LYS A 96 -15.871 -0.228 1.503 1.00 1.68 H new ATOM 0 HE2 LYS A 96 -14.755 1.800 2.367 1.00 1.78 H new ATOM 0 HE3 LYS A 96 -15.566 2.781 1.162 1.00 1.78 H new ATOM 0 HZ1 LYS A 96 -16.604 2.743 3.425 1.00 2.17 H new ATOM 0 HZ2 LYS A 96 -17.656 2.371 2.146 1.00 2.17 H new ATOM 0 HZ3 LYS A 96 -17.049 1.131 3.135 1.00 2.17 H new ATOM 1275 N ASN A 97 -15.818 -0.287 -4.204 1.00 0.86 N ATOM 1276 CA ASN A 97 -15.767 0.554 -5.400 1.00 0.86 C ATOM 1277 C ASN A 97 -14.490 1.383 -5.450 1.00 0.87 C ATOM 1278 O ASN A 97 -14.488 2.507 -5.953 1.00 1.04 O ATOM 1279 CB ASN A 97 -16.996 1.471 -5.488 1.00 0.97 C ATOM 1280 CG ASN A 97 -18.293 0.705 -5.686 1.00 1.61 C ATOM 1281 OD1 ASN A 97 -18.447 -0.420 -5.211 1.00 2.27 O ATOM 1282 ND2 ASN A 97 -19.234 1.307 -6.393 1.00 2.33 N ATOM 0 H ASN A 97 -15.853 -1.286 -4.408 1.00 0.86 H new ATOM 0 HA ASN A 97 -15.771 -0.116 -6.260 1.00 0.86 H new ATOM 0 HB2 ASN A 97 -17.066 2.064 -4.576 1.00 0.97 H new ATOM 0 HB3 ASN A 97 -16.863 2.170 -6.314 1.00 0.97 H new ATOM 0 HD21 ASN A 97 -20.124 0.838 -6.561 1.00 2.33 H new ATOM 0 HD22 ASN A 97 -19.070 2.240 -6.771 1.00 2.33 H new ATOM 1289 N LEU A 98 -13.400 0.818 -4.958 1.00 0.78 N ATOM 1290 CA LEU A 98 -12.126 1.523 -4.933 1.00 0.84 C ATOM 1291 C LEU A 98 -11.122 0.846 -5.857 1.00 0.71 C ATOM 1292 O LEU A 98 -10.807 -0.332 -5.675 1.00 0.65 O ATOM 1293 CB LEU A 98 -11.560 1.582 -3.510 1.00 1.00 C ATOM 1294 CG LEU A 98 -12.374 2.404 -2.503 1.00 1.40 C ATOM 1295 CD1 LEU A 98 -11.683 2.412 -1.149 1.00 1.70 C ATOM 1296 CD2 LEU A 98 -12.585 3.826 -3.005 1.00 2.08 C ATOM 0 H LEU A 98 -13.370 -0.125 -4.571 1.00 0.78 H new ATOM 0 HA LEU A 98 -12.302 2.541 -5.281 1.00 0.84 H new ATOM 0 HB2 LEU A 98 -11.471 0.564 -3.132 1.00 1.00 H new ATOM 0 HB3 LEU A 98 -10.552 1.994 -3.557 1.00 1.00 H new ATOM 0 HG LEU A 98 -13.353 1.938 -2.393 1.00 1.40 H new ATOM 0 HD11 LEU A 98 -12.271 2.999 -0.444 1.00 1.70 H new ATOM 0 HD12 LEU A 98 -11.590 1.390 -0.782 1.00 1.70 H new ATOM 0 HD13 LEU A 98 -10.691 2.853 -1.249 1.00 1.70 H new ATOM 0 HD21 LEU A 98 -13.165 4.388 -2.273 1.00 2.08 H new ATOM 0 HD22 LEU A 98 -11.618 4.308 -3.150 1.00 2.08 H new ATOM 0 HD23 LEU A 98 -13.123 3.801 -3.952 1.00 2.08 H new ATOM 1308 N PRO A 99 -10.622 1.562 -6.877 1.00 0.83 N ATOM 1309 CA PRO A 99 -9.589 1.029 -7.761 1.00 0.85 C ATOM 1310 C PRO A 99 -8.233 0.974 -7.068 1.00 0.70 C ATOM 1311 O PRO A 99 -7.721 1.993 -6.599 1.00 0.77 O ATOM 1312 CB PRO A 99 -9.545 2.006 -8.937 1.00 1.15 C ATOM 1313 CG PRO A 99 -10.197 3.266 -8.460 1.00 1.25 C ATOM 1314 CD PRO A 99 -11.022 2.936 -7.236 1.00 1.10 C ATOM 0 HA PRO A 99 -9.812 0.007 -8.069 1.00 0.85 H new ATOM 0 HB2 PRO A 99 -8.517 2.194 -9.249 1.00 1.15 H new ATOM 0 HB3 PRO A 99 -10.071 1.599 -9.801 1.00 1.15 H new ATOM 0 HG2 PRO A 99 -9.444 4.017 -8.220 1.00 1.25 H new ATOM 0 HG3 PRO A 99 -10.829 3.687 -9.242 1.00 1.25 H new ATOM 0 HD2 PRO A 99 -10.821 3.633 -6.422 1.00 1.10 H new ATOM 0 HD3 PRO A 99 -12.089 2.995 -7.449 1.00 1.10 H new ATOM 1322 N VAL A 100 -7.660 -0.217 -6.992 1.00 0.58 N ATOM 1323 CA VAL A 100 -6.374 -0.403 -6.340 1.00 0.47 C ATOM 1324 C VAL A 100 -5.373 -1.043 -7.295 1.00 0.42 C ATOM 1325 O VAL A 100 -5.712 -1.965 -8.039 1.00 0.50 O ATOM 1326 CB VAL A 100 -6.498 -1.270 -5.062 1.00 0.46 C ATOM 1327 CG1 VAL A 100 -7.363 -0.575 -4.022 1.00 1.30 C ATOM 1328 CG2 VAL A 100 -7.067 -2.646 -5.383 1.00 1.35 C ATOM 0 H VAL A 100 -8.066 -1.071 -7.375 1.00 0.58 H new ATOM 0 HA VAL A 100 -6.017 0.585 -6.050 1.00 0.47 H new ATOM 0 HB VAL A 100 -5.496 -1.402 -4.653 1.00 0.46 H new ATOM 0 HG11 VAL A 100 -7.437 -1.201 -3.133 1.00 1.30 H new ATOM 0 HG12 VAL A 100 -6.914 0.382 -3.756 1.00 1.30 H new ATOM 0 HG13 VAL A 100 -8.359 -0.407 -4.431 1.00 1.30 H new ATOM 0 HG21 VAL A 100 -7.142 -3.231 -4.467 1.00 1.35 H new ATOM 0 HG22 VAL A 100 -8.057 -2.536 -5.826 1.00 1.35 H new ATOM 0 HG23 VAL A 100 -6.409 -3.156 -6.087 1.00 1.35 H new ATOM 1338 N ARG A 101 -4.148 -0.542 -7.288 1.00 0.43 N ATOM 1339 CA ARG A 101 -3.098 -1.103 -8.125 1.00 0.43 C ATOM 1340 C ARG A 101 -2.132 -1.924 -7.279 1.00 0.40 C ATOM 1341 O ARG A 101 -1.310 -1.375 -6.543 1.00 0.39 O ATOM 1342 CB ARG A 101 -2.345 0.011 -8.875 1.00 0.49 C ATOM 1343 CG ARG A 101 -3.049 0.478 -10.136 1.00 1.20 C ATOM 1344 CD ARG A 101 -2.214 1.498 -10.891 1.00 1.40 C ATOM 1345 NE ARG A 101 -0.899 0.962 -11.248 1.00 2.23 N ATOM 1346 CZ ARG A 101 0.065 1.669 -11.832 1.00 2.89 C ATOM 1347 NH1 ARG A 101 -0.142 2.935 -12.166 1.00 2.96 N ATOM 1348 NH2 ARG A 101 1.238 1.102 -12.086 1.00 3.87 N ATOM 0 H ARG A 101 -3.856 0.249 -6.714 1.00 0.43 H new ATOM 0 HA ARG A 101 -3.559 -1.758 -8.864 1.00 0.43 H new ATOM 0 HB2 ARG A 101 -2.212 0.862 -8.207 1.00 0.49 H new ATOM 0 HB3 ARG A 101 -1.349 -0.347 -9.136 1.00 0.49 H new ATOM 0 HG2 ARG A 101 -3.251 -0.378 -10.780 1.00 1.20 H new ATOM 0 HG3 ARG A 101 -4.013 0.915 -9.876 1.00 1.20 H new ATOM 0 HD2 ARG A 101 -2.741 1.802 -11.795 1.00 1.40 H new ATOM 0 HD3 ARG A 101 -2.089 2.391 -10.279 1.00 1.40 H new ATOM 0 HE ARG A 101 -0.710 -0.017 -11.035 1.00 2.23 H new ATOM 0 HH11 ARG A 101 -1.044 3.372 -11.975 1.00 2.96 H new ATOM 0 HH12 ARG A 101 0.601 3.472 -12.613 1.00 2.96 H new ATOM 0 HH21 ARG A 101 1.398 0.127 -11.834 1.00 3.87 H new ATOM 0 HH22 ARG A 101 1.979 1.641 -12.534 1.00 3.87 H new ATOM 1362 N ILE A 102 -2.247 -3.239 -7.385 1.00 0.43 N ATOM 1363 CA ILE A 102 -1.427 -4.147 -6.598 1.00 0.43 C ATOM 1364 C ILE A 102 -0.314 -4.741 -7.449 1.00 0.45 C ATOM 1365 O ILE A 102 -0.573 -5.364 -8.481 1.00 0.56 O ATOM 1366 CB ILE A 102 -2.271 -5.298 -5.999 1.00 0.54 C ATOM 1367 CG1 ILE A 102 -3.477 -4.740 -5.235 1.00 0.60 C ATOM 1368 CG2 ILE A 102 -1.414 -6.170 -5.085 1.00 0.60 C ATOM 1369 CD1 ILE A 102 -4.369 -5.805 -4.635 1.00 0.76 C ATOM 0 H ILE A 102 -2.904 -3.703 -8.012 1.00 0.43 H new ATOM 0 HA ILE A 102 -0.996 -3.565 -5.784 1.00 0.43 H new ATOM 0 HB ILE A 102 -2.640 -5.916 -6.818 1.00 0.54 H new ATOM 0 HG12 ILE A 102 -3.120 -4.088 -4.438 1.00 0.60 H new ATOM 0 HG13 ILE A 102 -4.069 -4.123 -5.911 1.00 0.60 H new ATOM 0 HG21 ILE A 102 -2.024 -6.974 -4.673 1.00 0.60 H new ATOM 0 HG22 ILE A 102 -0.590 -6.596 -5.657 1.00 0.60 H new ATOM 0 HG23 ILE A 102 -1.016 -5.563 -4.272 1.00 0.60 H new ATOM 0 HD11 ILE A 102 -5.199 -5.331 -4.111 1.00 0.76 H new ATOM 0 HD12 ILE A 102 -4.757 -6.444 -5.428 1.00 0.76 H new ATOM 0 HD13 ILE A 102 -3.794 -6.408 -3.933 1.00 0.76 H new ATOM 1381 N ARG A 103 0.920 -4.543 -7.014 1.00 0.41 N ATOM 1382 CA ARG A 103 2.067 -5.099 -7.709 1.00 0.50 C ATOM 1383 C ARG A 103 2.921 -5.901 -6.734 1.00 0.43 C ATOM 1384 O ARG A 103 2.954 -5.606 -5.537 1.00 0.53 O ATOM 1385 CB ARG A 103 2.897 -3.974 -8.359 1.00 0.65 C ATOM 1386 CG ARG A 103 3.439 -2.963 -7.361 1.00 1.12 C ATOM 1387 CD ARG A 103 4.026 -1.740 -8.067 1.00 1.27 C ATOM 1388 NE ARG A 103 4.801 -2.098 -9.255 1.00 1.83 N ATOM 1389 CZ ARG A 103 4.937 -1.308 -10.321 1.00 2.44 C ATOM 1390 NH1 ARG A 103 4.339 -0.121 -10.356 1.00 2.64 N ATOM 1391 NH2 ARG A 103 5.674 -1.705 -11.347 1.00 3.34 N ATOM 0 H ARG A 103 1.152 -4.001 -6.182 1.00 0.41 H new ATOM 0 HA ARG A 103 1.717 -5.764 -8.499 1.00 0.50 H new ATOM 0 HB2 ARG A 103 3.731 -4.417 -8.904 1.00 0.65 H new ATOM 0 HB3 ARG A 103 2.279 -3.454 -9.091 1.00 0.65 H new ATOM 0 HG2 ARG A 103 2.640 -2.648 -6.689 1.00 1.12 H new ATOM 0 HG3 ARG A 103 4.206 -3.433 -6.746 1.00 1.12 H new ATOM 0 HD2 ARG A 103 3.218 -1.067 -8.353 1.00 1.27 H new ATOM 0 HD3 ARG A 103 4.664 -1.194 -7.372 1.00 1.27 H new ATOM 0 HE ARG A 103 5.265 -3.006 -9.269 1.00 1.83 H new ATOM 0 HH11 ARG A 103 3.774 0.189 -9.566 1.00 2.64 H new ATOM 0 HH12 ARG A 103 4.446 0.480 -11.173 1.00 2.64 H new ATOM 0 HH21 ARG A 103 6.137 -2.614 -11.321 1.00 3.34 H new ATOM 0 HH22 ARG A 103 5.779 -1.102 -12.163 1.00 3.34 H new ATOM 1405 N LYS A 104 3.607 -6.908 -7.247 1.00 0.38 N ATOM 1406 CA LYS A 104 4.398 -7.794 -6.409 1.00 0.39 C ATOM 1407 C LYS A 104 5.864 -7.407 -6.480 1.00 0.37 C ATOM 1408 O LYS A 104 6.534 -7.653 -7.485 1.00 0.46 O ATOM 1409 CB LYS A 104 4.217 -9.249 -6.840 1.00 0.51 C ATOM 1410 CG LYS A 104 2.767 -9.711 -6.833 1.00 0.63 C ATOM 1411 CD LYS A 104 2.642 -11.171 -7.239 1.00 1.06 C ATOM 1412 CE LYS A 104 3.325 -12.087 -6.237 1.00 1.50 C ATOM 1413 NZ LYS A 104 3.216 -13.516 -6.624 1.00 1.91 N ATOM 0 H LYS A 104 3.632 -7.133 -8.242 1.00 0.38 H new ATOM 0 HA LYS A 104 4.053 -7.694 -5.380 1.00 0.39 H new ATOM 0 HB2 LYS A 104 4.625 -9.375 -7.843 1.00 0.51 H new ATOM 0 HB3 LYS A 104 4.797 -9.890 -6.177 1.00 0.51 H new ATOM 0 HG2 LYS A 104 2.345 -9.572 -5.837 1.00 0.63 H new ATOM 0 HG3 LYS A 104 2.184 -9.092 -7.515 1.00 0.63 H new ATOM 0 HD2 LYS A 104 1.588 -11.439 -7.319 1.00 1.06 H new ATOM 0 HD3 LYS A 104 3.083 -11.315 -8.225 1.00 1.06 H new ATOM 0 HE2 LYS A 104 4.377 -11.813 -6.154 1.00 1.50 H new ATOM 0 HE3 LYS A 104 2.880 -11.943 -5.253 1.00 1.50 H new ATOM 0 HZ1 LYS A 104 3.445 -14.116 -5.806 1.00 1.91 H new ATOM 0 HZ2 LYS A 104 2.246 -13.717 -6.940 1.00 1.91 H new ATOM 0 HZ3 LYS A 104 3.881 -13.718 -7.398 1.00 1.91 H new ATOM 1427 N VAL A 105 6.359 -6.807 -5.413 1.00 0.35 N ATOM 1428 CA VAL A 105 7.713 -6.282 -5.389 1.00 0.39 C ATOM 1429 C VAL A 105 8.408 -6.632 -4.086 1.00 0.46 C ATOM 1430 O VAL A 105 7.773 -6.695 -3.033 1.00 0.52 O ATOM 1431 CB VAL A 105 7.728 -4.745 -5.559 1.00 0.43 C ATOM 1432 CG1 VAL A 105 7.257 -4.351 -6.945 1.00 0.43 C ATOM 1433 CG2 VAL A 105 6.874 -4.069 -4.496 1.00 0.55 C ATOM 0 H VAL A 105 5.840 -6.670 -4.546 1.00 0.35 H new ATOM 0 HA VAL A 105 8.243 -6.740 -6.224 1.00 0.39 H new ATOM 0 HB VAL A 105 8.757 -4.407 -5.435 1.00 0.43 H new ATOM 0 HG11 VAL A 105 7.276 -3.265 -7.041 1.00 0.43 H new ATOM 0 HG12 VAL A 105 7.916 -4.793 -7.692 1.00 0.43 H new ATOM 0 HG13 VAL A 105 6.240 -4.711 -7.100 1.00 0.43 H new ATOM 0 HG21 VAL A 105 6.902 -2.989 -4.639 1.00 0.55 H new ATOM 0 HG22 VAL A 105 5.845 -4.419 -4.579 1.00 0.55 H new ATOM 0 HG23 VAL A 105 7.262 -4.314 -3.507 1.00 0.55 H new ATOM 1443 N THR A 106 9.704 -6.880 -4.159 1.00 0.52 N ATOM 1444 CA THR A 106 10.496 -7.005 -2.958 1.00 0.61 C ATOM 1445 C THR A 106 11.888 -6.411 -3.177 1.00 0.58 C ATOM 1446 O THR A 106 12.812 -7.066 -3.666 1.00 0.67 O ATOM 1447 CB THR A 106 10.573 -8.481 -2.494 1.00 0.80 C ATOM 1448 OG1 THR A 106 11.400 -8.600 -1.332 1.00 1.32 O ATOM 1449 CG2 THR A 106 11.085 -9.400 -3.597 1.00 1.64 C ATOM 0 H THR A 106 10.222 -6.997 -5.030 1.00 0.52 H new ATOM 0 HA THR A 106 10.011 -6.441 -2.161 1.00 0.61 H new ATOM 0 HB THR A 106 9.559 -8.794 -2.246 1.00 0.80 H new ATOM 0 HG1 THR A 106 10.889 -9.020 -0.609 1.00 1.32 H new ATOM 0 HG21 THR A 106 11.123 -10.425 -3.228 1.00 1.64 H new ATOM 0 HG22 THR A 106 10.414 -9.348 -4.455 1.00 1.64 H new ATOM 0 HG23 THR A 106 12.084 -9.085 -3.898 1.00 1.64 H new ATOM 1457 N SER A 107 12.004 -5.140 -2.815 1.00 0.50 N ATOM 1458 CA SER A 107 13.263 -4.410 -2.843 1.00 0.51 C ATOM 1459 C SER A 107 13.000 -2.969 -2.428 1.00 0.45 C ATOM 1460 O SER A 107 11.982 -2.386 -2.816 1.00 0.44 O ATOM 1461 CB SER A 107 13.897 -4.445 -4.240 1.00 0.56 C ATOM 1462 OG SER A 107 13.026 -3.903 -5.214 1.00 1.36 O ATOM 0 H SER A 107 11.216 -4.581 -2.490 1.00 0.50 H new ATOM 0 HA SER A 107 13.961 -4.882 -2.152 1.00 0.51 H new ATOM 0 HB2 SER A 107 14.831 -3.883 -4.232 1.00 0.56 H new ATOM 0 HB3 SER A 107 14.145 -5.473 -4.503 1.00 0.56 H new ATOM 0 HG SER A 107 13.457 -3.937 -6.093 1.00 1.36 H new ATOM 1468 N PRO A 108 13.883 -2.376 -1.613 1.00 0.47 N ATOM 1469 CA PRO A 108 13.767 -0.968 -1.241 1.00 0.49 C ATOM 1470 C PRO A 108 13.795 -0.064 -2.471 1.00 0.43 C ATOM 1471 O PRO A 108 13.065 0.919 -2.544 1.00 0.47 O ATOM 1472 CB PRO A 108 14.994 -0.717 -0.361 1.00 0.63 C ATOM 1473 CG PRO A 108 15.402 -2.064 0.128 1.00 0.69 C ATOM 1474 CD PRO A 108 15.038 -3.026 -0.967 1.00 0.55 C ATOM 0 HA PRO A 108 12.827 -0.751 -0.734 1.00 0.49 H new ATOM 0 HB2 PRO A 108 15.796 -0.244 -0.928 1.00 0.63 H new ATOM 0 HB3 PRO A 108 14.755 -0.052 0.469 1.00 0.63 H new ATOM 0 HG2 PRO A 108 16.471 -2.096 0.337 1.00 0.69 H new ATOM 0 HG3 PRO A 108 14.888 -2.315 1.056 1.00 0.69 H new ATOM 0 HD2 PRO A 108 15.862 -3.171 -1.666 1.00 0.55 H new ATOM 0 HD3 PRO A 108 14.779 -4.008 -0.571 1.00 0.55 H new ATOM 1482 N ASP A 109 14.626 -0.432 -3.443 1.00 0.46 N ATOM 1483 CA ASP A 109 14.774 0.334 -4.681 1.00 0.50 C ATOM 1484 C ASP A 109 13.432 0.525 -5.387 1.00 0.41 C ATOM 1485 O ASP A 109 13.019 1.657 -5.650 1.00 0.44 O ATOM 1486 CB ASP A 109 15.764 -0.373 -5.611 1.00 0.64 C ATOM 1487 CG ASP A 109 15.868 0.282 -6.974 1.00 1.56 C ATOM 1488 OD1 ASP A 109 15.360 -0.301 -7.955 1.00 2.22 O ATOM 1489 OD2 ASP A 109 16.463 1.375 -7.074 1.00 2.37 O ATOM 0 H ASP A 109 15.213 -1.265 -3.397 1.00 0.46 H new ATOM 0 HA ASP A 109 15.156 1.322 -4.425 1.00 0.50 H new ATOM 0 HB2 ASP A 109 16.749 -0.384 -5.143 1.00 0.64 H new ATOM 0 HB3 ASP A 109 15.458 -1.412 -5.736 1.00 0.64 H new ATOM 1494 N GLU A 110 12.753 -0.582 -5.676 1.00 0.38 N ATOM 1495 CA GLU A 110 11.449 -0.542 -6.334 1.00 0.38 C ATOM 1496 C GLU A 110 10.433 0.215 -5.491 1.00 0.36 C ATOM 1497 O GLU A 110 9.816 1.173 -5.958 1.00 0.42 O ATOM 1498 CB GLU A 110 10.938 -1.959 -6.586 1.00 0.43 C ATOM 1499 CG GLU A 110 11.621 -2.670 -7.740 1.00 0.68 C ATOM 1500 CD GLU A 110 11.183 -2.149 -9.091 1.00 1.32 C ATOM 1501 OE1 GLU A 110 11.819 -1.203 -9.605 1.00 2.01 O ATOM 1502 OE2 GLU A 110 10.209 -2.698 -9.652 1.00 2.12 O ATOM 0 H GLU A 110 13.086 -1.522 -5.464 1.00 0.38 H new ATOM 0 HA GLU A 110 11.573 -0.023 -7.285 1.00 0.38 H new ATOM 0 HB2 GLU A 110 11.073 -2.549 -5.679 1.00 0.43 H new ATOM 0 HB3 GLU A 110 9.867 -1.917 -6.782 1.00 0.43 H new ATOM 0 HG2 GLU A 110 12.701 -2.555 -7.644 1.00 0.68 H new ATOM 0 HG3 GLU A 110 11.408 -3.737 -7.681 1.00 0.68 H new ATOM 1509 N ALA A 111 10.281 -0.216 -4.243 1.00 0.33 N ATOM 1510 CA ALA A 111 9.278 0.343 -3.344 1.00 0.35 C ATOM 1511 C ALA A 111 9.416 1.856 -3.214 1.00 0.34 C ATOM 1512 O ALA A 111 8.448 2.591 -3.401 1.00 0.41 O ATOM 1513 CB ALA A 111 9.377 -0.314 -1.974 1.00 0.38 C ATOM 0 H ALA A 111 10.845 -0.958 -3.829 1.00 0.33 H new ATOM 0 HA ALA A 111 8.297 0.137 -3.773 1.00 0.35 H new ATOM 0 HB1 ALA A 111 8.623 0.111 -1.311 1.00 0.38 H new ATOM 0 HB2 ALA A 111 9.210 -1.387 -2.072 1.00 0.38 H new ATOM 0 HB3 ALA A 111 10.368 -0.138 -1.557 1.00 0.38 H new ATOM 1519 N LYS A 112 10.626 2.316 -2.923 1.00 0.32 N ATOM 1520 CA LYS A 112 10.876 3.735 -2.706 1.00 0.34 C ATOM 1521 C LYS A 112 10.667 4.538 -3.987 1.00 0.37 C ATOM 1522 O LYS A 112 10.328 5.721 -3.936 1.00 0.42 O ATOM 1523 CB LYS A 112 12.291 3.944 -2.161 1.00 0.40 C ATOM 1524 CG LYS A 112 12.498 3.329 -0.783 1.00 0.48 C ATOM 1525 CD LYS A 112 13.973 3.202 -0.433 1.00 0.62 C ATOM 1526 CE LYS A 112 14.622 4.551 -0.171 1.00 1.11 C ATOM 1527 NZ LYS A 112 16.078 4.414 0.101 1.00 1.51 N ATOM 0 H LYS A 112 11.452 1.725 -2.832 1.00 0.32 H new ATOM 0 HA LYS A 112 10.159 4.097 -1.970 1.00 0.34 H new ATOM 0 HB2 LYS A 112 13.009 3.511 -2.857 1.00 0.40 H new ATOM 0 HB3 LYS A 112 12.500 5.013 -2.110 1.00 0.40 H new ATOM 0 HG2 LYS A 112 11.999 3.943 -0.033 1.00 0.48 H new ATOM 0 HG3 LYS A 112 12.031 2.344 -0.751 1.00 0.48 H new ATOM 0 HD2 LYS A 112 14.082 2.572 0.449 1.00 0.62 H new ATOM 0 HD3 LYS A 112 14.496 2.702 -1.248 1.00 0.62 H new ATOM 0 HE2 LYS A 112 14.472 5.201 -1.033 1.00 1.11 H new ATOM 0 HE3 LYS A 112 14.136 5.030 0.679 1.00 1.11 H new ATOM 0 HZ1 LYS A 112 16.468 5.338 0.375 1.00 1.51 H new ATOM 0 HZ2 LYS A 112 16.224 3.734 0.874 1.00 1.51 H new ATOM 0 HZ3 LYS A 112 16.561 4.074 -0.755 1.00 1.51 H new ATOM 1541 N ARG A 113 10.852 3.895 -5.136 1.00 0.38 N ATOM 1542 CA ARG A 113 10.630 4.564 -6.409 1.00 0.46 C ATOM 1543 C ARG A 113 9.141 4.733 -6.670 1.00 0.43 C ATOM 1544 O ARG A 113 8.678 5.836 -6.963 1.00 0.50 O ATOM 1545 CB ARG A 113 11.264 3.802 -7.576 1.00 0.57 C ATOM 1546 CG ARG A 113 10.945 4.433 -8.922 1.00 0.77 C ATOM 1547 CD ARG A 113 11.584 3.691 -10.083 1.00 1.01 C ATOM 1548 NE ARG A 113 11.170 4.257 -11.367 1.00 1.68 N ATOM 1549 CZ ARG A 113 11.724 3.953 -12.539 1.00 2.13 C ATOM 1550 NH1 ARG A 113 12.753 3.119 -12.598 1.00 1.97 N ATOM 1551 NH2 ARG A 113 11.251 4.496 -13.651 1.00 2.96 N ATOM 0 H ARG A 113 11.152 2.923 -5.210 1.00 0.38 H new ATOM 0 HA ARG A 113 11.106 5.542 -6.341 1.00 0.46 H new ATOM 0 HB2 ARG A 113 12.345 3.769 -7.440 1.00 0.57 H new ATOM 0 HB3 ARG A 113 10.910 2.771 -7.568 1.00 0.57 H new ATOM 0 HG2 ARG A 113 9.864 4.455 -9.061 1.00 0.77 H new ATOM 0 HG3 ARG A 113 11.288 5.468 -8.924 1.00 0.77 H new ATOM 0 HD2 ARG A 113 12.669 3.739 -9.995 1.00 1.01 H new ATOM 0 HD3 ARG A 113 11.307 2.638 -10.041 1.00 1.01 H new ATOM 0 HE ARG A 113 10.404 4.931 -11.364 1.00 1.68 H new ATOM 0 HH11 ARG A 113 13.125 2.706 -11.742 1.00 1.97 H new ATOM 0 HH12 ARG A 113 13.173 2.890 -13.499 1.00 1.97 H new ATOM 0 HH21 ARG A 113 10.465 5.145 -13.608 1.00 2.96 H new ATOM 0 HH22 ARG A 113 11.673 4.265 -14.551 1.00 2.96 H new ATOM 1565 N TRP A 114 8.394 3.642 -6.546 1.00 0.39 N ATOM 1566 CA TRP A 114 6.965 3.662 -6.829 1.00 0.39 C ATOM 1567 C TRP A 114 6.249 4.644 -5.912 1.00 0.40 C ATOM 1568 O TRP A 114 5.314 5.326 -6.329 1.00 0.46 O ATOM 1569 CB TRP A 114 6.350 2.266 -6.688 1.00 0.38 C ATOM 1570 CG TRP A 114 6.986 1.219 -7.564 1.00 0.38 C ATOM 1571 CD1 TRP A 114 7.234 -0.080 -7.222 1.00 0.34 C ATOM 1572 CD2 TRP A 114 7.459 1.375 -8.914 1.00 0.66 C ATOM 1573 NE1 TRP A 114 7.820 -0.742 -8.271 1.00 0.40 N ATOM 1574 CE2 TRP A 114 7.973 0.128 -9.318 1.00 0.63 C ATOM 1575 CE3 TRP A 114 7.496 2.439 -9.823 1.00 1.00 C ATOM 1576 CZ2 TRP A 114 8.513 -0.080 -10.583 1.00 0.92 C ATOM 1577 CZ3 TRP A 114 8.037 2.229 -11.076 1.00 1.29 C ATOM 1578 CH2 TRP A 114 8.539 0.978 -11.447 1.00 1.25 C ATOM 0 H TRP A 114 8.754 2.734 -6.252 1.00 0.39 H new ATOM 0 HA TRP A 114 6.838 3.987 -7.862 1.00 0.39 H new ATOM 0 HB2 TRP A 114 6.429 1.950 -5.648 1.00 0.38 H new ATOM 0 HB3 TRP A 114 5.287 2.324 -6.924 1.00 0.38 H new ATOM 0 HD1 TRP A 114 7.002 -0.522 -6.264 1.00 0.34 H new ATOM 0 HE1 TRP A 114 8.097 -1.724 -8.271 1.00 0.40 H new ATOM 0 HE3 TRP A 114 7.108 3.409 -9.549 1.00 1.00 H new ATOM 0 HZ2 TRP A 114 8.899 -1.046 -10.873 1.00 0.92 H new ATOM 0 HZ3 TRP A 114 8.073 3.046 -11.782 1.00 1.29 H new ATOM 0 HH2 TRP A 114 8.955 0.846 -12.435 1.00 1.25 H new ATOM 1589 N ILE A 115 6.700 4.728 -4.667 1.00 0.38 N ATOM 1590 CA ILE A 115 6.142 5.690 -3.729 1.00 0.41 C ATOM 1591 C ILE A 115 6.407 7.112 -4.216 1.00 0.47 C ATOM 1592 O ILE A 115 5.508 7.950 -4.217 1.00 0.55 O ATOM 1593 CB ILE A 115 6.716 5.512 -2.304 1.00 0.40 C ATOM 1594 CG1 ILE A 115 6.346 4.131 -1.754 1.00 0.40 C ATOM 1595 CG2 ILE A 115 6.205 6.612 -1.379 1.00 0.45 C ATOM 1596 CD1 ILE A 115 6.906 3.853 -0.375 1.00 0.44 C ATOM 0 H ILE A 115 7.446 4.145 -4.286 1.00 0.38 H new ATOM 0 HA ILE A 115 5.068 5.510 -3.680 1.00 0.41 H new ATOM 0 HB ILE A 115 7.802 5.587 -2.354 1.00 0.40 H new ATOM 0 HG12 ILE A 115 5.260 4.043 -1.720 1.00 0.40 H new ATOM 0 HG13 ILE A 115 6.706 3.367 -2.443 1.00 0.40 H new ATOM 0 HG21 ILE A 115 6.620 6.470 -0.381 1.00 0.45 H new ATOM 0 HG22 ILE A 115 6.513 7.584 -1.765 1.00 0.45 H new ATOM 0 HG23 ILE A 115 5.117 6.569 -1.329 1.00 0.45 H new ATOM 0 HD11 ILE A 115 6.602 2.857 -0.053 1.00 0.44 H new ATOM 0 HD12 ILE A 115 7.994 3.908 -0.406 1.00 0.44 H new ATOM 0 HD13 ILE A 115 6.526 4.594 0.328 1.00 0.44 H new ATOM 1608 N LYS A 116 7.631 7.360 -4.673 1.00 0.50 N ATOM 1609 CA LYS A 116 8.027 8.681 -5.150 1.00 0.60 C ATOM 1610 C LYS A 116 7.172 9.104 -6.335 1.00 0.57 C ATOM 1611 O LYS A 116 6.619 10.204 -6.353 1.00 0.69 O ATOM 1612 CB LYS A 116 9.505 8.681 -5.563 1.00 0.73 C ATOM 1613 CG LYS A 116 9.922 9.929 -6.333 1.00 1.18 C ATOM 1614 CD LYS A 116 11.342 9.820 -6.866 1.00 1.85 C ATOM 1615 CE LYS A 116 12.370 9.878 -5.749 1.00 2.50 C ATOM 1616 NZ LYS A 116 12.316 11.172 -5.018 1.00 3.13 N ATOM 0 H LYS A 116 8.370 6.658 -4.723 1.00 0.50 H new ATOM 0 HA LYS A 116 7.880 9.390 -4.335 1.00 0.60 H new ATOM 0 HB2 LYS A 116 10.123 8.591 -4.670 1.00 0.73 H new ATOM 0 HB3 LYS A 116 9.702 7.802 -6.177 1.00 0.73 H new ATOM 0 HG2 LYS A 116 9.234 10.090 -7.163 1.00 1.18 H new ATOM 0 HG3 LYS A 116 9.845 10.800 -5.682 1.00 1.18 H new ATOM 0 HD2 LYS A 116 11.454 8.885 -7.414 1.00 1.85 H new ATOM 0 HD3 LYS A 116 11.528 10.628 -7.573 1.00 1.85 H new ATOM 0 HE2 LYS A 116 12.196 9.059 -5.052 1.00 2.50 H new ATOM 0 HE3 LYS A 116 13.368 9.736 -6.165 1.00 2.50 H new ATOM 0 HZ1 LYS A 116 13.199 11.306 -4.485 1.00 3.13 H new ATOM 0 HZ2 LYS A 116 12.201 11.950 -5.698 1.00 3.13 H new ATOM 0 HZ3 LYS A 116 11.511 11.165 -4.359 1.00 3.13 H new ATOM 1630 N GLU A 117 7.053 8.212 -7.306 1.00 0.53 N ATOM 1631 CA GLU A 117 6.361 8.514 -8.550 1.00 0.58 C ATOM 1632 C GLU A 117 4.876 8.771 -8.314 1.00 0.57 C ATOM 1633 O GLU A 117 4.238 9.503 -9.067 1.00 0.66 O ATOM 1634 CB GLU A 117 6.555 7.374 -9.550 1.00 0.70 C ATOM 1635 CG GLU A 117 8.017 7.042 -9.792 1.00 1.28 C ATOM 1636 CD GLU A 117 8.245 6.191 -11.023 1.00 1.51 C ATOM 1637 OE1 GLU A 117 7.328 5.454 -11.433 1.00 2.14 O ATOM 1638 OE2 GLU A 117 9.355 6.262 -11.593 1.00 1.93 O ATOM 0 H GLU A 117 7.430 7.266 -7.256 1.00 0.53 H new ATOM 0 HA GLU A 117 6.792 9.426 -8.963 1.00 0.58 H new ATOM 0 HB2 GLU A 117 6.042 6.485 -9.184 1.00 0.70 H new ATOM 0 HB3 GLU A 117 6.088 7.645 -10.497 1.00 0.70 H new ATOM 0 HG2 GLU A 117 8.581 7.970 -9.891 1.00 1.28 H new ATOM 0 HG3 GLU A 117 8.412 6.520 -8.920 1.00 1.28 H new ATOM 1645 N PHE A 118 4.331 8.173 -7.267 1.00 0.56 N ATOM 1646 CA PHE A 118 2.934 8.380 -6.915 1.00 0.66 C ATOM 1647 C PHE A 118 2.765 9.570 -5.974 1.00 0.73 C ATOM 1648 O PHE A 118 1.667 10.101 -5.828 1.00 0.88 O ATOM 1649 CB PHE A 118 2.349 7.116 -6.288 1.00 0.73 C ATOM 1650 CG PHE A 118 1.864 6.099 -7.285 1.00 0.69 C ATOM 1651 CD1 PHE A 118 0.510 5.963 -7.544 1.00 1.33 C ATOM 1652 CD2 PHE A 118 2.755 5.279 -7.958 1.00 1.27 C ATOM 1653 CE1 PHE A 118 0.053 5.030 -8.456 1.00 1.57 C ATOM 1654 CE2 PHE A 118 2.303 4.344 -8.871 1.00 1.56 C ATOM 1655 CZ PHE A 118 0.952 4.220 -9.120 1.00 1.41 C ATOM 0 H PHE A 118 4.834 7.540 -6.645 1.00 0.56 H new ATOM 0 HA PHE A 118 2.389 8.602 -7.833 1.00 0.66 H new ATOM 0 HB2 PHE A 118 3.107 6.654 -5.655 1.00 0.73 H new ATOM 0 HB3 PHE A 118 1.519 7.397 -5.639 1.00 0.73 H new ATOM 0 HD1 PHE A 118 -0.198 6.594 -7.027 1.00 1.33 H new ATOM 0 HD2 PHE A 118 3.814 5.371 -7.768 1.00 1.27 H new ATOM 0 HE1 PHE A 118 -1.005 4.935 -8.649 1.00 1.57 H new ATOM 0 HE2 PHE A 118 3.008 3.711 -9.389 1.00 1.56 H new ATOM 0 HZ PHE A 118 0.598 3.490 -9.833 1.00 1.41 H new ATOM 1665 N SER A 119 3.855 9.998 -5.347 1.00 0.69 N ATOM 1666 CA SER A 119 3.817 11.154 -4.456 1.00 0.80 C ATOM 1667 C SER A 119 3.805 12.452 -5.258 1.00 0.79 C ATOM 1668 O SER A 119 3.664 13.542 -4.698 1.00 0.90 O ATOM 1669 CB SER A 119 5.017 11.150 -3.502 1.00 0.93 C ATOM 1670 OG SER A 119 5.031 9.985 -2.695 1.00 1.20 O ATOM 0 H SER A 119 4.774 9.564 -5.438 1.00 0.69 H new ATOM 0 HA SER A 119 2.901 11.090 -3.869 1.00 0.80 H new ATOM 0 HB2 SER A 119 5.941 11.208 -4.077 1.00 0.93 H new ATOM 0 HB3 SER A 119 4.982 12.035 -2.866 1.00 0.93 H new ATOM 0 HG SER A 119 5.495 9.264 -3.170 1.00 1.20 H new ATOM 1676 N GLU A 120 3.954 12.331 -6.573 1.00 0.81 N ATOM 1677 CA GLU A 120 3.990 13.494 -7.444 1.00 0.96 C ATOM 1678 C GLU A 120 2.577 13.976 -7.776 1.00 1.17 C ATOM 1679 O GLU A 120 2.390 15.106 -8.234 1.00 1.50 O ATOM 1680 CB GLU A 120 4.779 13.184 -8.721 1.00 1.08 C ATOM 1681 CG GLU A 120 6.217 12.760 -8.444 1.00 1.41 C ATOM 1682 CD GLU A 120 7.080 12.732 -9.690 1.00 2.00 C ATOM 1683 OE1 GLU A 120 7.258 11.649 -10.281 1.00 2.45 O ATOM 1684 OE2 GLU A 120 7.591 13.803 -10.082 1.00 2.77 O ATOM 0 H GLU A 120 4.052 11.438 -7.056 1.00 0.81 H new ATOM 0 HA GLU A 120 4.499 14.300 -6.915 1.00 0.96 H new ATOM 0 HB2 GLU A 120 4.272 12.392 -9.272 1.00 1.08 H new ATOM 0 HB3 GLU A 120 4.783 14.065 -9.362 1.00 1.08 H new ATOM 0 HG2 GLU A 120 6.658 13.444 -7.719 1.00 1.41 H new ATOM 0 HG3 GLU A 120 6.216 11.770 -7.988 1.00 1.41 H new ATOM 1691 N GLU A 121 1.586 13.123 -7.538 1.00 1.22 N ATOM 1692 CA GLU A 121 0.191 13.507 -7.723 1.00 1.56 C ATOM 1693 C GLU A 121 -0.439 13.852 -6.380 1.00 2.02 C ATOM 1694 O GLU A 121 -0.530 15.055 -6.057 1.00 2.60 O ATOM 1695 CB GLU A 121 -0.620 12.396 -8.401 1.00 1.96 C ATOM 1696 CG GLU A 121 -0.260 12.138 -9.857 1.00 2.47 C ATOM 1697 CD GLU A 121 1.064 11.427 -10.023 1.00 3.35 C ATOM 1698 OE1 GLU A 121 1.188 10.282 -9.547 1.00 4.00 O ATOM 1699 OE2 GLU A 121 1.979 12.001 -10.651 1.00 3.84 O ATOM 1700 OXT GLU A 121 -0.829 12.919 -5.642 1.00 2.53 O ATOM 0 H GLU A 121 1.722 12.164 -7.218 1.00 1.22 H new ATOM 0 HA GLU A 121 0.175 14.381 -8.374 1.00 1.56 H new ATOM 0 HB2 GLU A 121 -0.484 11.472 -7.839 1.00 1.96 H new ATOM 0 HB3 GLU A 121 -1.678 12.651 -8.343 1.00 1.96 H new ATOM 0 HG2 GLU A 121 -1.046 11.542 -10.319 1.00 2.47 H new ATOM 0 HG3 GLU A 121 -0.225 13.088 -10.390 1.00 2.47 H new